Canonical_QSARr,CATMoS_LD50_mgkg,num_ghose_violations,num_lead_likeness_violations,num_lipinski_violations,molecular_mass,num_carbon_atoms,num_oxygen_atoms,SMILES,log10_LD50,Name
B12B3B4B1C432,2751.0,0.0,2.0,0.0,55.259,1.0,0.0,B12B3B4B1C432,3.4394905903896835,Boron carbide
BrC(Br)(Br)C1C=CC2=CC=CC=C2N=1,6769.0,4.0,1.0,0.0,379.87700000000007,10.0,0.0,BrC(Br)(Br)C1C=CC2=CC=CC=C2N=1,3.8305245140972586,"Quinoline, 2-(tribromomethyl)-"
BrC(Br)Br,1147.0,2.0,2.0,0.0,252.731,1.0,0.0,BrC(Br)Br,3.0595634179012676,Bromoform
BrC(Br)C(Br)Br,1200.0,3.0,3.0,0.0,345.654,2.0,0.0,BrC(Br)C(Br)Br,3.0791812460476247,"1,1,2,2-Tetrabromoethane"
BrC1=CC(Br)=C(C=C1)OCC1CO1,2000.0,4.0,3.0,0.0,307.96899999999994,9.0,2.0,BrC1=CC(Br)=C(C=C1)OCC1CO1,3.3010299956639813,CERAPP_36943
BrC1=CC(Br)=C(OC2N=C(N=C(N=2)OC2C(Br)=CC(Br)=CC=2Br)OC2C(Br)=CC(Br)=CC=2Br)C(Br)=C1,3500.0,1.0,1.0,2.0,1067.4329999999998,21.0,3.0,BrC1=CC(Br)=C(OC2N=C(N=C(N=2)OC2C(Br)=CC(Br)=CC=2Br)OC2C(Br)=CC(Br)=CC=2Br)C(Br)=C1,3.5440680443502757,"2,4,6-Tris-(2,4,6-tribromophenoxy)-1,3,5-triazine"
BrC1=CN=CN1,250.0,1.0,2.0,0.0,146.97500000000002,3.0,0.0,BrC1=CN=CN1,2.3979400086720375,"1H-Imidazole, 4-bromo-"
BrC1C(C2=C(Br)C(Br)=C(Br)C(Br)=C2Br)=C(Br)C(Br)=C(Br)C=1Br,7500.0,2.0,1.0,2.0,943.172,12.0,0.0,BrC1C(C2=C(Br)C(Br)=C(Br)C(Br)=C2Br)=C(Br)C(Br)=C(Br)C=1Br,3.8750612633917,"1,1'-Biphenyl, 2,2',3,3',4,4',5,5',6,6'-decabromo-"
BrC1C(CCC2=C(Br)C(Br)=C(Br)C(Br)=C2Br)=C(Br)C(Br)=C(Br)C=1Br,6251.0,1.0,1.0,2.0,971.226,14.0,0.0,BrC1C(CCC2=C(Br)C(Br)=C(Br)C(Br)=C2Br)=C(Br)C(Br)=C(Br)C=1Br,3.7959494989028033,"1,1'-Ethane-1,2-diylbis(pentabromobenzene)"
BrC1C(OC2=C(Br)C(Br)=C(Br)C(Br)=C2Br)=C(Br)C(Br)=C(Br)C=1Br,3500.0,2.0,1.0,2.0,959.171,12.0,1.0,BrC1C(OC2=C(Br)C(Br)=C(Br)C(Br)=C2Br)=C(Br)C(Br)=C(Br)C=1Br,3.5440680443502757,Decabromodiphenyl oxide
BrC1C(OCCOC2=C(Br)C(Br)=C(Br)C(Br)=C2Br)=C(Br)C(Br)=C(Br)C=1Br,10001.0,1.0,1.0,2.0,1003.224,14.0,2.0,BrC1C(OCCOC2=C(Br)C(Br)=C(Br)C(Br)=C2Br)=C(Br)C(Br)=C(Br)C=1Br,4.000043427276863,"Benzene, 1,1'-[1,2-ethanediylbis(oxy)]bis[2,3,4,5,6-pentabromo-"
BrC1C=C2C=CNC2=NC=1,2751.0,3.0,2.0,0.0,197.03500000000005,7.0,0.0,BrC1C=C2C=CNC2=NC=1,3.4394905903896835,5-Bromo-7-azaindole
BrC1C=CC(CBr)=CC=1,400.0,3.0,2.0,0.0,249.933,7.0,0.0,BrC1C=CC(CBr)=CC=1,2.6020599913279625,4-Bromobenzyl bromide
BrC1C=CC=C2C=CC=CC2=1,7500.0,3.0,1.0,0.0,207.07,10.0,0.0,BrC1C=CC=C2C=CC=CC2=1,3.8750612633917,CERAPP_26496
BrC1C=CC=CC=1,2956.0,1.0,2.0,0.0,157.01,6.0,0.0,BrC1C=CC=CC=1,3.470704429722788,Bromobenzene
BrC1CC(Br)CC(Br)CC(Br)CC(Br)CC(Br)C1,10001.0,2.0,1.0,2.0,641.6999999999999,12.0,0.0,BrC1CC(Br)CC(Br)CC(Br)CC(Br)CC(Br)C1,4.000043427276863,"Hexabromocyclododecane, mixed isomers"
BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br,10000.0,2.0,1.0,2.0,641.6999999999999,12.0,0.0,BrC1CCC(Br)C(Br)CCC(Br)C(Br)CCC1Br,4.0,"1,2,5,6,9,10-Hexabromocyclododecane"
BrC1N=C(Br)NC=1Br,34.0,3.0,3.0,0.0,304.76699999999994,3.0,0.0,BrC1N=C(Br)NC=1Br,1.5314789170422551,"2,4,5-Tribromoimidazole"
BrC=CBr,117.0,2.0,2.0,0.0,185.846,2.0,0.0,BrC=CBr,2.0681858617461617,"1,2-Dibromoethylene"
BrCBr,108.0,2.0,2.0,0.0,173.83499999999998,1.0,0.0,BrCBr,2.03342375548695,Dibromomethane
BrCC(Br)C1CC(Br)C(Br)CC1,3220.0,4.0,1.0,0.0,427.8,8.0,0.0,BrCC(Br)C1CC(Br)C(Br)CC1,3.507855871695831,"1,2-Dibromo-4-(1,2-dibromoethyl)cyclohexane"
BrCC1C=C(C=CC=1)OC1C=CC=CC=1,2326.0,4.0,2.0,0.0,263.134,13.0,1.0,BrCC1C=C(C=CC=1)OC1C=CC=CC=1,3.3666097103924297,1-(Bromomethyl)-3-phenoxybenzene
BrCC=CCBr,62.0,2.0,2.0,0.0,213.9,4.0,0.0,BrCC=CCBr,1.792391689498254,"(E)-1,4-Dibromo-2-butene"
BrCCBr,115.0,2.0,2.0,0.0,187.862,2.0,0.0,BrCCBr,2.060697840353612,"1,2-Dibromoethane"
BrCCC1C=CC=CC=1,1476.0,3.0,2.0,0.0,185.064,8.0,0.0,BrCCC1C=CC=CC=1,3.1690863574870227,Phenethyl bromide
BrCCCCBr,454.0,2.0,2.0,0.0,215.916,4.0,0.0,BrCCCCBr,2.6570558528571038,"1,4-Dibromobutane"
BrCCCCCCBr,3500.0,4.0,2.0,0.0,243.96999999999997,6.0,0.0,BrCCCCCCBr,3.5440680443502757,"1,6-Dibromohexane"
C,3500.0,1.0,2.0,0.0,16.043,1.0,0.0,C,3.5440680443502757,Methane
C#CC(=NOCC1OCCO1)C1C=CC=CC=1,7500.0,4.0,2.0,0.0,231.251,13.0,3.0,C#CC(=NOCC1OCCO1)C1C=CC=CC=1,3.8750612633917,Oxabentrinil
C#CC(O)=O,100.0,1.0,2.0,0.0,70.047,3.0,2.0,C#CC(O)=O,2.0,2-Propynoic acid
C#CC1(CCCCC1)OC(N)=O,331.0,4.0,2.0,0.0,167.20799999999997,9.0,2.0,C#CC1(CCCCC1)OC(N)=O,2.519827993775719,Ethinamate
C#CC1(O)CCCCC1,922.0,2.0,2.0,0.0,124.183,8.0,1.0,C#CC1(O)CCCCC1,2.9647309210536292,1-Ethynylcyclohexanol
C#CC1CC1,3500.0,1.0,2.0,0.0,66.10300000000001,5.0,0.0,C#CC1CC1,3.5440680443502757,Cyclopropylacetylene
C#CCBr,53.0,1.0,2.0,0.0,118.96099999999998,3.0,0.0,C#CCBr,1.724275869600789,Propargyl bromide
C#CCCCC#C,2300.0,1.0,2.0,0.0,92.141,7.0,0.0,C#CCCCC#C,3.361727836017593,"1,6-Heptadiyne"
C#CCCl,165.0,1.0,2.0,0.0,74.50999999999999,3.0,0.0,C#CCCl,2.2174839442139063,"1-Propyne, 3-chloro-"
C#CCN1C(=O)CN=C(C2=CC(Cl)=CC=C12)C1C=CC=CC=1,5819.0,4.0,3.0,0.0,308.7680000000001,18.0,1.0,C#CCN1C(=O)CN=C(C2=CC(Cl)=CC=C12)C1C=CC=CC=1,3.7648483571934106,Pinazepam
C#CCN1C2C=C(C(F)=CC=2OCC1=O)N1C(=O)C2CCCCC=2C1=O,7500.0,4.0,2.0,0.0,354.3370000000002,19.0,4.0,C#CCN1C2C=C(C(F)=CC=2OCC1=O)N1C(=O)C2CCCCC=2C1=O,3.8750612633917,Flumioxazin
C#CCO,78.0,1.0,2.0,0.0,56.064,3.0,1.0,C#CCO,1.8920946026904804,Propargyl alcohol
C#CCOC1=CC(=C(Cl)C=C1Cl)N1N=C2CCCCN2C1=O,7500.0,4.0,3.0,0.0,338.19399999999996,15.0,2.0,C#CCOC1=CC(=C(Cl)C=C1Cl)N1N=C2CCCCN2C1=O,3.8750612633917,Azafenidin
C#CCOCC#C,539.0,1.0,2.0,0.0,94.113,6.0,1.0,C#CCOCC#C,2.7315887651867388,2-Propynyl ether
C#N,369.5,1.0,2.0,0.0,27.025999999999996,1.0,0.0,C#N,2.5676144427308447,Silver cyanide
C(/NC1C=CC=CC=1)=NC1C=CC=CC=1,1903.0,4.0,2.0,0.0,196.253,13.0,0.0,C(/NC1C=CC=CC=1)=NC1C=CC=CC=1,3.2794387882870204,"N,N'-Diphenylformamidine"
C(=NC(N=CC1=CC=CO1)C1=CC=CO1)C1=CC=CO1,400.0,4.0,2.0,0.0,268.272,15.0,3.0,C(=NC(N=CC1=CC=CO1)C1=CC=CO1)C1=CC=CO1,2.6020599913279625,Hydrofuramide
C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1,2150.0,4.0,2.0,1.0,277.496,19.0,0.0,C(C(C1CCCCC1)C1CCCCC1)C1CCCCN1,3.3324384599156054,Perhexiline
C(C1=CC(CN(CC2CO2)CC2CO2)=CC=C1)N(CC1CO1)CC1CO1,679.0,4.0,1.0,0.0,360.4540000000001,20.0,4.0,C(C1=CC(CN(CC2CO2)CC2CO2)=CC=C1)N(CC1CO1)CC1CO1,2.8318697742805017,CERAPP_42696
C(C1=CC=CC=N1)N(CCN1CCCCC1)C1C=CC=CC=1,773.0,4.0,2.0,0.0,295.42999999999995,19.0,0.0,C(C1=CC=CC=N1)N(CCN1CCCCC1)C1C=CC=CC=1,2.888179493918325,Picoperine
C(C1C=CC(=CC=1)N(CC1CO1)CC1CO1)C1C=CC(=CC=1)N(CC1CO1)CC1CO1,7500.0,4.0,1.0,0.0,422.52500000000026,25.0,4.0,C(C1C=CC(=CC=1)N(CC1CO1)CC1CO1)C1C=CC(=CC=1)N(CC1CO1)CC1CO1,3.8750612633917,"4,4'-Methylenebis(N,N-diglycidylaniline)"
C(C1C=CC=CC=1)C1C=CC=CC=1,2250.0,4.0,2.0,0.0,168.239,13.0,0.0,C(C1C=CC=CC=1)C1C=CC=CC=1,3.3521825181113627,Diphenylmethane
C(C1C=CC=CC=1)N1C=CN=C1C1=NNN=N1,4000.0,4.0,2.0,0.0,226.243,11.0,0.0,C(C1C=CC=CC=1)N1C=CN=C1C1=NNN=N1,3.6020599913279625,Bentemazole
C(C1C=CC=CC=1)[P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1,43.0,4.0,1.0,1.0,353.42500000000007,25.0,0.0,C(C1C=CC=CC=1)[P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1,1.6334684555795864,Benzyltriphenylphosphonium chloride
C(C1CO1)C1=CC(CC2CO2)=CC=C1,4190.0,4.0,2.0,0.0,190.24199999999996,12.0,2.0,C(C1CO1)C1=CC(CC2CO2)=CC=C1,3.622214022966295,
C(C1CO1)N(CC1CO1)C1C=C(C=CC=1)OCC1CO1,1150.0,4.0,2.0,0.0,277.31999999999994,15.0,4.0,C(C1CO1)N(CC1CO1)C1C=C(C=CC=1)OCC1CO1,3.060697840353612,"2-Oxiranemethanamine, N-[3-(2-oxiranylmethoxy)phenyl]-N-(2-oxiranylmethyl)-"
C(C1CO1)N(CC1CO1)C1C=CC(=CC=1)OCC1CO1,1037.0,4.0,2.0,0.0,277.32000000000005,15.0,4.0,C(C1CO1)N(CC1CO1)C1C=CC(=CC=1)OCC1CO1,3.015778756389041,4-(Diglycidylamino)phenyl glycidyl ether
C(C1CO1)N(CC1CO1)C1C=CC=CC=1,1065.0,4.0,2.0,0.0,205.257,12.0,2.0,C(C1CO1)N(CC1CO1)C1C=CC=CC=1,3.0273496077747564,CERAPP_29901
C(C1NCCN=1)C1C=CC=CC=1,1200.0,4.0,2.0,0.0,160.22000000000003,10.0,0.0,C(C1NCCN=1)C1C=CC=CC=1,3.0791812460476247,Tolazoline
C(C1OCCO1)C1C=CC=CC=1,2200.0,4.0,2.0,0.0,164.204,10.0,2.0,C(C1OCCO1)C1C=CC=CC=1,3.342422680822206,"1,3-Dioxolane, 2-(phenylmethyl)-"
C(C=CC1C=CC=CC=1)N1CCN(CC1)C(C1C=CC=CC=1)C1C=CC=CC=1,6500.0,4.0,1.0,1.0,368.5240000000001,26.0,0.0,C(C=CC1C=CC=CC=1)N1CCN(CC1)C(C1C=CC=CC=1)C1C=CC=CC=1,3.8129133566428557,Cinnarizine
C(CC1C=CC=CC=1)C1C=CC=CC=1,4518.0,4.0,2.0,0.0,182.266,14.0,0.0,C(CC1C=CC=CC=1)C1C=CC=CC=1,3.6549462265843444,Bibenzyl
C(CC1C=CC=CC=1)OC1CCCCC1,7500.0,4.0,1.0,0.0,204.31299999999996,14.0,1.0,C(CC1C=CC=CC=1)OC1CCCCC1,3.8750612633917,"Benzene, [2-(cyclohexyloxy)ethyl]-"
C(CCC1C=CC=CC=1)C1C=CN=CC=1,400.0,4.0,2.0,0.0,197.28100000000003,14.0,0.0,C(CCC1C=CC=CC=1)C1C=CN=CC=1,2.6020599913279625,4-(3-Phenylpropyl)pyridine
C(CCC1CCNCC1)C1CCNCC1,440.0,4.0,2.0,0.0,210.365,13.0,0.0,C(CCC1CCNCC1)C1CCNCC1,2.6434526764861874,"4,4'-Propane-1,3-diyldipiperidine"
C(CCCCCN=CC1=CC=CO1)N=CC1=CC=CO1,490.0,4.0,1.0,0.0,272.34800000000007,16.0,2.0,C(CCCCCN=CC1=CC=CO1)N=CC1=CC=CO1,2.690196080028514,
C(CCCCCN=CC=CC1C=CC=CC=1)N=CC=CC1C=CC=CC=1,3500.0,3.0,1.0,1.0,344.50199999999995,24.0,0.0,C(CCCCCN=CC=CC1C=CC=CC=1)N=CC=CC1C=CC=CC=1,3.5440680443502757,"1,6-Hexanediamine, N,N'-bis(3-phenyl-2-propenylidene)-"
C(CCN1C2=CC=CC=C2SC2=CC=CC=C12)N1CCOCC1,1000.0,4.0,2.0,0.0,326.46500000000015,19.0,1.0,C(CCN1C2=CC=CC=C2SC2=CC=CC=C12)N1CCOCC1,3.0,Morazine
C(CCN1CCOCC1)NC1=CC=CC2=CC=CC=C21,4935.0,4.0,3.0,0.0,270.376,17.0,1.0,C(CCN1CCOCC1)NC1=CC=CC2=CC=CC=C21,3.6932871570056554,"4-Morpholinepropanamine, N-1-naphthalenyl-"
C(COC1=CC=CC2OCCOC=21)N1CCCCC1,10000.0,4.0,3.0,0.0,263.33699999999993,15.0,3.0,C(COC1=CC=CC2OCCOC=21)N1CCCCC1,4.0,"Piperidine, 1-(2-(1,4-benzodioxan-5-yloxy)ethyl)-, hydrochloride"
C(COC1C=CC=CC=1)OC1C=CC=CC=1,6251.0,4.0,2.0,0.0,214.26400000000004,14.0,2.0,C(COC1C=CC=CC=1)OC1C=CC=CC=1,3.7959494989028033,"1,2-Diphenoxyethane"
C(CSC1C=CC=CC=1)SC1C=CC=CC=1,1150.0,4.0,1.0,0.0,246.40000000000003,14.0,0.0,C(CSC1C=CC=CC=1)SC1C=CC=CC=1,3.060697840353612,"1,2-Bis(phenylthio)ethane"
C(N1C=NC=N1)C1(OCCCO1)C1=CC2=CC=CC=C2O1,1000.0,4.0,3.0,0.0,285.303,15.0,3.0,C(N1C=NC=N1)C1(OCCCO1)C1=CC2=CC=CC=C2O1,3.0,"1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-1,3-dioxan-2-yl)methyl)-, monohydrochloride"
C(NC1=NC=NC2=C1N=CN2C1CCCCO1)C1C=CC=CC=1,1640.0,4.0,3.0,0.0,309.37300000000005,17.0,1.0,C(NC1=NC=NC2=C1N=CN2C1CCCCO1)C1C=CC=CC=1,3.214843848047698,N-Benzyl-9-(tetrahydro-2H-pyran-2-yl)adenine
C(NC1NC=NC2=NC=NC2=1)C1=CC=CO1,7500.0,4.0,2.0,0.0,215.216,10.0,1.0,C(NC1NC=NC2=NC=NC2=1)C1=CC=CO1,3.8750612633917,Kinetin
C(NC1NC=NC2=NC=NC2=1)C1C=CC=CC=1,1609.0,4.0,2.0,0.0,225.255,12.0,0.0,C(NC1NC=NC2=NC=NC2=1)C1C=CC=CC=1,3.2065560440990297,N-Benzyladenine
C(NCC1C=CC=CC=1)C1C=CC=CC=1,690.0,4.0,2.0,0.0,197.28100000000003,14.0,0.0,C(NCC1C=CC=CC=1)C1C=CC=CC=1,2.838849090737255,Dibenzylamine
C(OC1=CC(=CC=C1)OCC1CO1)C1CO1,2570.0,4.0,2.0,0.0,222.23999999999995,12.0,4.0,C(OC1=CC(=CC=C1)OCC1CO1)C1CO1,3.4099331233312946,Diglycidyl resorcinol ether
C(OC1=CC2=CC=CC=C2C=C1)C1C=CC=CC=1,4251.0,4.0,1.0,0.0,234.298,17.0,1.0,C(OC1=CC2=CC=CC=C2C=C1)C1C=CC=CC=1,3.628491104967123,Benzyl 2-naphthyl ether
C(OC1=CC2C=CC=C(OCC3CO3)C=2C=C1)C1CO1,3500.0,4.0,3.0,0.0,272.3,16.0,4.0,C(OC1=CC2C=CC=C(OCC3CO3)C=2C=C1)C1CO1,3.5440680443502757,"Oxirane, 2,2'-[1,6-naphthalenediylbis(oxymethylene)]bis-"
C(OC1=CC=CO1)C1CO1,1100.0,1.0,2.0,0.0,140.138,7.0,3.0,C(OC1=CC=CO1)C1CO1,3.041392685158225,
C(OC1C=CC=CC=1)C1CO1,3537.0,3.0,2.0,0.0,150.177,9.0,2.0,C(OC1C=CC=CC=1)C1CO1,3.5486350598147514,Phenyl glycidyl ether
C(OCC1=CC=CO1)C1=CC=CO1,210.0,4.0,2.0,0.0,178.187,10.0,3.0,C(OCC1=CC=CO1)C1=CC=CO1,2.322219294733919,"Furan, 2,2'-[oxybis(methylene)]bis-"
C(OCC1C=CC=CC=1)C1C=CC=CC=1,3653.0,4.0,2.0,0.0,198.265,14.0,1.0,C(OCC1C=CC=CC=1)C1C=CC=CC=1,3.5626496722119168,Dibenzyl ether
C(OCC1CO1)C1CCC(COCC2CO2)CC1,1098.0,4.0,2.0,0.0,256.3419999999999,14.0,4.0,C(OCC1CO1)C1CCC(COCC2CO2)CC1,3.040602340114073,"2,2'-[Cyclohexane-1,4-diylbis(methanediyloxymethanediyl)]dioxirane"
C(OCC1CO1)C1CO1,473.0,1.0,2.0,0.0,130.143,6.0,3.0,C(OCC1CO1)C1CO1,2.6748611407378116,Diglycidyl ether
C(OCC1COCO1)C1COCO1,5148.0,4.0,2.0,0.0,190.19499999999996,8.0,5.0,C(OCC1COCO1)C1COCO1,3.711638538232349,"1,3-Dioxolane, 4,4'-[oxybis(methylene)]bis-"
C(OCCCCOCC1CO1)C1CO1,1293.0,4.0,1.0,0.0,202.24999999999991,10.0,4.0,C(OCCCCOCC1CO1)C1CO1,3.111598524880394,"1,4-Butanediol diglycidyl ether"
C(OCCOCC1CO1)C1CO1,1150.0,4.0,2.0,0.0,174.19599999999997,8.0,4.0,C(OCCOCC1CO1)C1CO1,3.060697840353612,Ethylene glycol diglycidyl ether
C(SCC1C=CC=CC=1)C1C=CC=CC=1,3500.0,4.0,1.0,0.0,214.33300000000008,14.0,0.0,C(SCC1C=CC=CC=1)C1C=CC=CC=1,3.5440680443502757,Benzyl sulfide
C(SSCC1=CN=CC=C1)C1=CN=CC=C1,2150.0,4.0,1.0,0.0,248.37600000000003,12.0,0.0,C(SSCC1=CN=CC=C1)C1=CN=CC=C1,3.3324384599156054,"Pyridine, 3,3'-dithiodimethylenedi-, dihydrochloride"
C/C(/O)=N/C1C=CC(=CC=1)OC(=O)C1=CC=CS1,4500.0,4.0,2.0,0.0,261.30199999999996,13.0,3.0,C/C(/O)=N/C1C=CC(=CC=1)OC(=O)C1=CC=CS1,3.6532125137753435,
C/C(/O)=N/CCCOC1C=CC(=CC=1)C(=O)N1CCC(CC1)N1C2=CC=CC=C2CCC1=O,3500.0,4.0,0.0,0.0,449.5510000000003,26.0,4.0,C/C(/O)=N/CCCOC1C=CC(=CC=1)C(=O)N1CCC(CC1)N1C2=CC=CC=C2CCC1=O,3.5440680443502757,
C/C(/O)=NC1(O)C2(Cl)C3(Cl)C4(Cl)C2(Cl)C2(Cl)C1(Cl)C3(Cl)C2(Cl)C4(Cl)Cl,140.0,3.0,1.0,1.0,549.7070000000001,12.0,2.0,C/C(/O)=NC1(O)C2(Cl)C3(Cl)C4(Cl)C2(Cl)C2(Cl)C1(Cl)C3(Cl)C2(Cl)C4(Cl)Cl,2.146128035678238,
C/N=C(/O)OC1=CC=CC=C1C(SCC)SCC,500.0,4.0,1.0,0.0,285.434,13.0,2.0,C/N=C(/O)OC1=CC=CC=C1C(SCC)SCC,2.6989700043360187,
C/N=C(C[N+]([O-])=O)/NCCSCC1=CC=C(CN(C)C)O1,7500.0,4.0,2.0,0.0,314.411,13.0,3.0,C/N=C(C[N+]([O-])=O)/NCCSCC1=CC=C(CN(C)C)O1,3.8750612633917,Ranitidine
C/N=C(N)/N[N+]([O-])=O,2751.0,0.0,2.0,0.0,118.096,2.0,2.0,C/N=C(N)/N[N+]([O-])=O,3.4394905903896835,N-Methyl-N'-nitroguanidine
C/N=C(O)/OC1=CC=CC(C(C)C)=C1Cl,35.0,4.0,2.0,0.0,227.69099999999997,11.0,2.0,C/N=C(O)/OC1=CC=CC(C(C)C)=C1Cl,1.5440680443502757,
C/N=C(O)/OC1=CC=CC=C1C1OCC(C)(C)O1,110.0,4.0,3.0,0.0,251.28199999999995,13.0,4.0,C/N=C(O)/OC1=CC=CC=C1C1OCC(C)(C)O1,2.041392685158225,
C/N=C(O)/OC1C=C(C=CC=1)OCC#C,150.0,4.0,2.0,0.0,205.21299999999997,11.0,3.0,C/N=C(O)/OC1C=C(C=CC=1)OCC#C,2.1760912590556813,
C/N=C(O)/SC1C=CC(=CC=1)OS(C)(=O)=O,112.0,4.0,3.0,0.0,261.32399999999996,9.0,4.0,C/N=C(O)/SC1C=CC(=CC=1)OS(C)(=O)=O,2.0492180226701815,Methasulfocarb
C/N=C1/NSC2=CC=CC=C2/1,576.0,3.0,2.0,0.0,164.23299999999998,8.0,0.0,C/N=C1/NSC2=CC=CC=C2/1,2.760422483423212,
C/N=N/NC1=CC=C(I)C=C1,498.9,3.0,3.0,0.0,261.066,7.0,0.0,C/N=N/NC1=CC=C(I)C=C1,2.6980135039391815,
C1=C(NC2=CC=CC=C21)C1C=CC=CC=1,6000.0,4.0,1.0,0.0,193.249,14.0,0.0,C1=C(NC2=CC=CC=C21)C1C=CC=CC=1,3.7781512503836434,"1H-Indole, 2-phenyl-"
C1=C2C=CC=CC2=CC2C=CC=CC=21,10001.0,4.0,1.0,0.0,178.23399999999995,14.0,0.0,C1=C2C=CC=CC2=CC2C=CC=CC=21,4.000043427276863,Anthracene
C1=C2C=CC=CC2=CC=C1NC1C=CC(=CC=1)NC1C=C2C=CC=CC2=CC=1,4500.0,3.0,1.0,1.0,360.4600000000001,26.0,0.0,C1=C2C=CC=CC2=CC=C1NC1C=CC(=CC=1)NC1C=C2C=CC=CC2=CC=1,3.6532125137753435,"N,N'-Di-2-naphthyl-p-phenylenediamine"
C1=C2C=CC=CC2=NC2=CC=CC=C21,3500.0,4.0,2.0,0.0,179.22199999999998,13.0,0.0,C1=C2C=CC=CC2=NC2=CC=CC=C21,3.5440680443502757,Acridine
C1=CC(=CC=C1C1C=CC=CC=1)C1C=CC=CC=1,10000.0,4.0,1.0,1.0,230.31,18.0,0.0,C1=CC(=CC=C1C1C=CC=CC=1)C1C=CC=CC=1,4.0,"1,1':4',1''-Terphenyl"
C1=CC(=CC=C1NC1C=CC=CC=1)NC1C=CC=CC=1,2370.0,4.0,2.0,1.0,260.34000000000003,18.0,0.0,C1=CC(=CC=C1NC1C=CC=CC=1)NC1C=CC=CC=1,3.374748346010104,"N,N'-Diphenyl-p-phenylenediamine"
C1=CC(C2=NC3=CC=CC=C3O2)=C2C=CC=CC2=C1C1=NC2=CC=CC=C2O1,10001.0,3.0,1.0,1.0,362.3880000000001,24.0,2.0,C1=CC(C2=NC3=CC=CC=C3O2)=C2C=CC=CC2=C1C1=NC2=CC=CC=C2O1,4.000043427276863,"Benzoxazole, 2,2'-(1,4-naphthalenediyl)bis-"
C1=CC(C=CC2C=CC(=CC=2)C2=NC3C=CC=CC=3O2)=CC=C1C1=NC2=CC=CC=C2O1,4775.0,3.0,1.0,1.0,414.46400000000017,28.0,2.0,C1=CC(C=CC2C=CC(=CC=2)C2=NC3C=CC=CC=3O2)=CC=C1C1=NC2=CC=CC=C2O1,3.678973375919765,"2,2'-(Vinylenedi-4-phenylene)bis(benzoxazole)"
C1=CC2C=CC=C3C=CC4=CC=CC1=C4C=23,2700.0,4.0,1.0,0.0,202.25599999999997,16.0,0.0,C1=CC2C=CC=C3C=CC4=CC=CC1=C4C=23,3.4313637641589874,Pyrene
C1=CC=C(O1)C1NC2=CC=CC=C2N=1,638.0,4.0,2.0,0.0,184.198,11.0,1.0,C1=CC=C(O1)C1NC2=CC=CC=C2N=1,2.8048206787211623,Fuberidazole
C1=CC=C2C3=C(C=CC=C31)C1C=CC=CC=12,3500.0,4.0,1.0,0.0,202.25599999999997,16.0,0.0,C1=CC=C2C3=C(C=CC=C31)C1C=CC=CC=12,3.5440680443502757,Fluoranthene
C1=CC=C2C=CC=CC2=C1NC1C=CC=CC=1,2002.0,4.0,1.0,0.0,219.287,16.0,0.0,C1=CC=C2C=CC=CC2=C1NC1C=CC=CC=1,3.3014640731433,N-Phenyl-1-naphthylamine
C1=CC=C2C=CC=CC=C21,4000.0,2.0,2.0,0.0,128.17399999999995,10.0,0.0,C1=CC=C2C=CC=CC=C21,3.6020599913279625,Azulene
C1=CC=CC1=C(C1C=CC=CC=1)C1C=CC=CC=1,3500.0,4.0,1.0,0.0,230.30999999999997,18.0,0.0,C1=CC=CC1=C(C1C=CC=CC=1)C1C=CC=CC=1,3.5440680443502757,"6,6'-Diphenylfulvene"
C1=CC=CC2=C3NC(N=C4N=C(N=C5NC(=NC6=NC(=N3)C3=CC=CC=C36)C3=CC=CC=C35)C3=CC=CC=C34)=C21,3500.0,1.0,1.0,2.0,514.5520000000001,32.0,0.0,C1=CC=CC2=C3NC(N=C4N=C(N=C5NC(=NC6=NC(=N3)C3=CC=CC=C36)C3=CC=CC=C35)C3=CC=CC=C34)=C21,3.5440680443502757,"Cobalt, [29H,31H-phthalocyaninato(2-)-.kappa.N29,.kappa.N30,.kappa.N31,.kappa.N32]-, (SP-4-1)-"
C1=CC=CC2=CC=CC=C21,2350.0,2.0,2.0,0.0,128.17399999999995,10.0,0.0,C1=CC=CC2=CC=CC=C21,3.3710678622717363,Naphthalene
C1=CC=CC2=NNN=C21,1150.0,1.0,2.0,0.0,119.127,6.0,0.0,C1=CC=CC2=NNN=C21,3.060697840353612,"1H-Benzotriazole, sodium salt"
C1=CC=CC2C3=NC4NC(N=C5N=C(N=C6NC(=NC(=N3)C=21)C1C=CC=CC=16)C1C=CC=CC=15)=C1C=CC=CC1=4,7500.0,1.0,1.0,2.0,514.5520000000001,32.0,0.0,C1=CC=CC2C3=NC4NC(N=C5N=C(N=C6NC(=NC(=N3)C=21)C1C=CC=CC=16)C1C=CC=CC=15)=C1C=CC=CC1=4,3.8750612633917,"Phthalocyanine mixture, undefined"
C1=CC=CC2NC3=CC=CC=C3C=21,7500.0,4.0,2.0,0.0,167.21099999999998,12.0,0.0,C1=CC=CC2NC3=CC=CC=C3C=21,3.8750612633917,Carbazole
C1=CC=CC2NC3=CC=CC=C3SC=21,4094.0,4.0,1.0,0.0,199.278,12.0,0.0,C1=CC=CC2NC3=CC=CC=C3SC=21,3.6121478383264867,Phenothiazine
C1=CC=CC2NC=CC=21,1000.0,1.0,2.0,0.0,117.15099999999995,8.0,0.0,C1=CC=CC2NC=CC=21,3.0,Indole
C1=CC=CC2NN=NC=21,570.0,1.0,2.0,0.0,119.127,6.0,0.0,C1=CC=CC2NN=NC=21,2.7558748556724915,"Ethanol, 2,2'-iminobis-, compd. with 1H-benzotriazole (1:1)"
C1=CC=CC2OC(=NC=21)C1=CC=C(S1)C1=NC2=CC=CC=C2O1,10001.0,4.0,2.0,1.0,318.357,18.0,2.0,C1=CC=CC2OC(=NC=21)C1=CC=C(S1)C1=NC2=CC=CC=C2O1,4.000043427276863,"2,2'-Thiophene-2,5-diylbis(benzoxazole)"
C1=CC=CC2OC3=CC=CC=C3OC=21,1220.0,4.0,1.0,0.0,184.194,12.0,2.0,C1=CC=CC2OC3=CC=CC=C3OC=21,3.0863598306747484,Dibenzo-p-dioxin
C1=CC=CC2SC(=NC=21)SSC1=NC2C=CC=CC=2S1,9970.0,3.0,2.0,1.0,332.50000000000006,14.0,0.0,C1=CC=CC2SC(=NC=21)SSC1=NC2C=CC=CC=2S1,3.998695158311656,"2,2'-Dithiobisbenzothiazole"
C1=CC=CC=C1C1=CC=CC=C1C1C=CC=CC=1,1900.0,4.0,1.0,1.0,230.31,18.0,0.0,C1=CC=CC=C1C1=CC=CC=C1C1C=CC=CC=1,3.278753600952829,o-Terphenyl
C1=CC=CC=C1C1=NC2=CC=CC=C2O1,3000.0,4.0,2.0,0.0,195.221,13.0,1.0,C1=CC=CC=C1C1=NC2=CC=CC=C2O1,3.4771212547196626,"Benzoxazole, 2-phenyl-"
C1=CC=CC=C1C1C=CC=CC=1,2402.5,3.0,2.0,0.0,154.21199999999996,12.0,0.0,C1=CC=CC=C1C1C=CC=CC=1,3.3806633963405828,Biphenyl
C1=CC=CC=C1C1NC=CN=1,1000.0,2.0,2.0,0.0,144.177,9.0,0.0,C1=CC=CC=C1C1NC=CN=1,3.0,"1H-Imidazole, 2-phenyl-"
C1=CC=CC=C1C1NN=NN=1,1901.0,1.0,2.0,0.0,146.15300000000002,7.0,0.0,C1=CC=CC=C1C1NN=NN=1,3.278982116865443,5-Phenyl-1H-tetrazole
C1=CC=CC=C1N(C1C=CC=CC=1)C1C=CC=CC=1,4000.0,4.0,1.0,1.0,245.325,18.0,0.0,C1=CC=CC=C1N(C1C=CC=CC=1)C1C=CC=CC=1,3.6020599913279625,Triphenylamine
C1=CC=CC=C1N=NC1C=CC=CC=1,1000.0,4.0,1.0,0.0,182.22600000000003,12.0,0.0,C1=CC=CC=C1N=NC1C=CC=CC=1,3.0,Azobenzene
C1=CC=CC=C1NC1C=CC=CC=1,1560.0,4.0,2.0,0.0,169.227,12.0,0.0,C1=CC=CC=C1NC1C=CC=CC=1,3.1931245983544616,"Benzenamine, N-phenyl-, sulfate (1:1)"
C1=CC=CC=C1OC1C=CC=CC=1,2835.0,4.0,2.0,0.0,170.21099999999998,12.0,1.0,C1=CC=CC=C1OC1C=CC=CC=1,3.452553063228925,Diphenyl oxide
C1=CC=CC=C1OP(OC1C=CC=CC=1)OC1C=CC=CC=1,1022.0,4.0,2.0,1.0,310.28900000000004,18.0,3.0,C1=CC=CC=C1OP(OC1C=CC=CC=1)OC1C=CC=CC=1,3.009450895798694,Triphenyl phosphite
C1=CC=CC=C1P(C1C=CC=CC=1)C1C=CC=CC=1,700.0,4.0,3.0,0.0,262.29200000000003,18.0,0.0,C1=CC=CC=C1P(C1C=CC=CC=1)C1C=CC=CC=1,2.845098040014257,Triphenylphosphine
C1=CC=CC=C1[B-](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1,288.0,4.0,3.0,0.0,319.236,24.0,0.0,C1=CC=CC=C1[B-](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1,2.459392487759231,"Borate(1-), tetraphenyl-, lithium (1:1)"
C1=CC=CC=C1[I+]C1C=CC=CC=1,510.0,4.0,3.0,0.0,281.116,12.0,0.0,C1=CC=CC=C1[I+]C1C=CC=CC=1,2.7075701760979363,"Iodonium, diphenyl-, hexafluorophosphate(1-) (1:1)"
C1=CC=CC=C1[Se]C1C=CC=CC=1,360.0,4.0,2.0,0.0,233.17200000000005,12.0,0.0,C1=CC=CC=C1[Se]C1C=CC=CC=1,2.5563025007672873,Diphenyl selenide
C1=CC=CC=C1[Si]1(O[Si](O[Si](O[Si](O1)(C1C=CC=CC=1)C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)C1C=CC=CC=1,4070.0,1.0,0.0,2.0,793.1880000000002,48.0,4.0,C1=CC=CC=C1[Si]1(O[Si](O[Si](O[Si](O1)(C1C=CC=CC=1)C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)C1C=CC=CC=1,3.60959440922522,Octaphenylcyclotetrasiloxane
C1=CC=CC=N1,1049.4666666666667,1.0,2.0,0.0,79.10199999999998,5.0,0.0,C1=CC=CC=N1,3.020968649004527,"Hydrogen tribromide, compd. with pyridine (1:1)"
C1=CC=CS1,1400.0,1.0,2.0,0.0,84.14299999999999,4.0,0.0,C1=CC=CS1,3.146128035678238,Thiophene
C1=CC=NC2C=CC=CC=21,395.5,2.0,2.0,0.0,129.16199999999998,9.0,0.0,C1=CC=NC2C=CC=CC=21,2.597146487833695,Quinoline sulfate
C1=CC=NN1,1157.0,1.0,2.0,0.0,68.079,3.0,0.0,C1=CC=NN1,3.0633333589517497,Pyrazole
C1=CN=CC=C1C1C=CN=CC=1,172.0,3.0,2.0,0.0,156.188,10.0,0.0,C1=CN=CC=C1C1C=CN=CC=1,2.2355284469075487,"4,4'-Bipyridine"
C1=NC(=CS1)C1NC2=CC=CC=C2N=1,3600.0,4.0,2.0,0.0,201.254,10.0,0.0,C1=NC(=CS1)C1NC2=CC=CC=C2N=1,3.5563025007672873,
C1=NC(=CS1)C1NC2C=CC=CC=2N=1,2845.0,4.0,2.0,0.0,201.254,10.0,0.0,C1=NC(=CS1)C1NC2C=CC=CC=2N=1,3.45408227073109,Thiabendazole hypophosphite
C1=NC2=CC=CC=C2S1,375.0,1.0,2.0,0.0,135.191,7.0,0.0,C1=NC2=CC=CC=C2S1,2.574031267727719,Benzothiazole
C1=NC2C=CC=CC=2OC2C=CC=CC=21,563.0,4.0,1.0,0.0,195.221,13.0,1.0,C1=NC2C=CC=CC=2OC2C=CC=CC=21,2.7505083948513462,"Dibenz[b,f][1,4]oxazepine"
C1=NC=CC2C=CC=CC=21,360.0,2.0,2.0,0.0,129.16199999999998,9.0,0.0,C1=NC=CC2C=CC=CC=21,2.5563025007672873,Isoquinoline
C1=NC=CN1C(C1C=CC=CC=1)C1C=CC(=CC=1)C1C=CC=CC=1,1463.0,4.0,2.0,1.0,310.40000000000003,22.0,0.0,C1=NC=CN1C(C1C=CC=CC=1)C1C=CC(=CC=1)C1C=CC=CC=1,3.1652443261253107,Bifonazole
C1=NN=C(O1)C1C=CC=CC=1,440.0,1.0,2.0,0.0,146.149,8.0,1.0,C1=NN=C(O1)C1C=CC=CC=1,2.6434526764861874,"1,3,4-Oxadiazole, 2-phenyl-"
C1=NNC=N1,1449.5,1.0,2.0,0.0,69.067,2.0,0.0,C1=NNC=N1,3.1612182196910164,"1,2,4-Triazole, sodium salt"
C1C(=CC=C2C=CC=CC2=1)NC1C=CC=CC=1,8730.0,4.0,1.0,0.0,219.287,16.0,0.0,C1C(=CC=C2C=CC=CC2=1)NC1C=CC=CC=1,3.9410142437055695,N-Phenyl-2-naphthylamine
C1C(=CC=CC=1C1C=CC=CC=1)C1C=CC=CC=1,2400.0,4.0,1.0,1.0,230.31,18.0,0.0,C1C(=CC=CC=1C1C=CC=CC=1)C1C=CC=CC=1,3.380211241711606,"1,1':3',1''-Terphenyl"
C1C(C2NCCN=2)C1(C1C=CC=CC=1)C1C=CC=CC=1,359.0,4.0,3.0,0.0,262.35599999999994,18.0,0.0,C1C(C2NCCN=2)C1(C1C=CC=CC=1)C1C=CC=CC=1,2.5550944485783194,Cifenline
C1C(N=C2SCCN21)C1C=CC=CC=1,180.0,4.0,2.0,0.0,204.298,11.0,0.0,C1C(N=C2SCCN21)C1C=CC=CC=1,2.255272505103306,Levamisole hydrochloride
C1C2=CC=CC=C2NC2=NCCN21,900.0,4.0,2.0,0.0,173.219,10.0,0.0,C1C2=CC=CC=C2NC2=NCCN21,2.9542425094393248,"Imidazo(2,1-b)quinazoline, 1,2,3,5-tetrahydro-, monohydrochloride"
C1C2=CC=CC=C2NC2C=CC=CC=21,2140.0,4.0,2.0,0.0,181.238,13.0,0.0,C1C2=CC=CC=C2NC2C=CC=CC=21,3.330413773349191,"Acridine, 9,10-dihydro-"
C1C2C(C3OC31)C1CC2C2OC12,210.0,4.0,2.0,0.0,164.20399999999998,10.0,2.0,C1C2C(C3OC31)C1CC2C2OC12,2.322219294733919,Dicyclopentadiene dioxide
C1C2C=CC1C=C2,3500.0,1.0,2.0,0.0,92.141,7.0,0.0,C1C2C=CC1C=C2,3.5440680443502757,"2,5-Norbornadiene"
C1C2CC(C3CCCC23)C21CCCO2,5625.0,4.0,2.0,0.0,192.3019999999999,13.0,1.0,C1C2CC(C3CCCC23)C21CCCO2,3.7501225267834,"Decahydrospiro[furan-2(3H),5'-[4,7]methano[5H]indene]"
C1C2CC(CC3CCCCN31)N1CCCCC12,960.0,4.0,2.0,0.0,234.38699999999992,15.0,0.0,C1C2CC(CC3CCCCN31)N1CCCCC12,2.9822712330395684,Sparteine
C1C2CC3CC1CC(C2)C3,10000.0,3.0,2.0,0.0,136.23799999999997,10.0,0.0,C1C2CC3CC1CC(C2)C3,4.0,Adamantane
C1C2CCC1C1CCCC21,10001.0,3.0,2.0,0.0,136.238,10.0,0.0,C1C2CCC1C1CCCC21,4.000043427276863,"Octahydro-exo-4,7-methano-1H-indene"
C1C2CCC1C=C2,10001.0,1.0,2.0,0.0,94.157,7.0,0.0,C1C2CCC1C=C2,4.000043427276863,Norbornylene
C1C2COCOC2C2=CC=CC=C21,3500.0,4.0,2.0,0.0,176.21499999999995,11.0,2.0,C1C2COCOC2C2=CC=CC=C21,3.5440680443502757,"4,4a,5,9b-Tetrahydroindeno(1,2-d)-1,3-dioxin"
C1C2OC2CCC1C1CO1,2465.0,2.0,2.0,0.0,140.182,8.0,2.0,C1C2OC2CCC1C1CO1,3.391816923613249,4-Vinyl-1-cyclohexene dioxide
C1C=CC2C1C1CC2CC1,670.0,3.0,2.0,0.0,134.22199999999998,10.0,0.0,C1C=CC2C1C1CC2CC1,2.8260748027008264,"4,7-Methano-1H-indene, 3a,4,5,6,7,7a-hexahydro-"
C1C=CC2C3CC(C=C3)C21,477.0,3.0,2.0,0.0,132.20599999999996,10.0,0.0,C1C=CC2C3CC(C=C3)C21,2.678518379040114,Dicyclopentadiene
C1C=CC=C1,113.0,1.0,2.0,0.0,66.103,5.0,0.0,C1C=CC=C1,2.0530784434834195,"1,3-Cyclopentadiene"
C1C=CC=CC=1,4130.0,1.0,2.0,0.0,78.11399999999999,6.0,0.0,C1C=CC=CC=1,3.615950051656401,"Lithium, phenyl-"
C1C=CC=CC=C1,57.0,1.0,2.0,0.0,92.141,7.0,0.0,C1C=CC=CC=C1,1.7558748556724915,"1,3,5-Cycloheptatriene"
C1C=CC=NC=1C1=CC=CC=N1,178.0,3.0,2.0,0.0,156.18799999999996,10.0,0.0,C1C=CC=NC=1C1=CC=CC=N1,2.250420002308894,"2,2'-Bipyridine, phosphate (1:1)"
C1C=CCCC1C1=CC=C(C=C1)C1CCCC=C1,10001.0,4.0,1.0,1.0,238.3739999999999,18.0,0.0,C1C=CCCC1C1=CC=C(C=C1)C1CCCC=C1,4.000043427276863,"Terphenyl, hydrogenated"
C1C=CCCC1C1C=CC=CC=1,3500.0,3.0,1.0,0.0,158.24399999999994,12.0,0.0,C1C=CCCC1C1C=CC=CC=1,3.5440680443502757,4-Phenyl-1-cyclohexene
C1C=CCCC1C1OCC2(CC=CCC2)CO1,5190.0,4.0,2.0,0.0,234.3389999999999,15.0,2.0,C1C=CCCC1C1OCC2(CC=CCC2)CO1,3.7151673578484576,"2,4-Dioxaspiro[5.5]undec-8-ene, 3-(3-cyclohexen-1-yl)-"
C1CC2=CC=CC=C2NC2=CC=CC=C21,7500.0,4.0,1.0,0.0,195.265,14.0,0.0,C1CC2=CC=CC=C2NC2=CC=CC=C21,3.8750612633917,"10,11-Dihydro-5H-dibenz[b,f]azepine"
C1CC2C=CC(CCC3C=CC1=CC=3)=CC=2,4625.0,4.0,1.0,0.0,208.30399999999997,16.0,0.0,C1CC2C=CC(CCC3C=CC1=CC=3)=CC=2,3.6651117370750512,"Tricyclo[8.2.2.24,7]hexadeca-4,6,10,12,13,15-hexaene"
C1CC=CCCC=C1,1900.0,2.0,2.0,0.0,108.18399999999998,8.0,0.0,C1CC=CCCC=C1,3.278753600952829,"1,5-Cyclooctadiene"
C1CC=CCCC=CCCC=C1,3220.0,4.0,1.0,0.0,162.27599999999995,12.0,0.0,C1CC=CCCC=CCCC=C1,3.507855871695831,"1,5,9-Cyclododecatriene"
C1CCC(C2C=CC=CC=21)C1NCCN=1,785.0,4.0,2.0,0.0,200.285,13.0,0.0,C1CCC(C2C=CC=CC=21)C1NCCN=1,2.8948696567452528,Tetrahydrozoline
C1CCC=C1,1656.0,1.0,2.0,0.0,68.119,5.0,0.0,C1CCC=C1,3.219060332448861,Cyclopentene
C1CCCC1,9138.0,1.0,2.0,0.0,70.135,5.0,0.0,C1CCCC1,3.960851153719686,Cyclopentane
C1CCCC2C=CC=CC=21,2860.0,3.0,2.0,0.0,132.206,10.0,0.0,C1CCCC2C=CC=CC=21,3.456366033129043,Tetralin
C1CCCC2CCCCC21,4177.0,3.0,2.0,0.0,138.254,10.0,0.0,C1CCCC2CCCCC21,3.620864475265121,Decalin
C1CCCC2NC3=CC=CC=C3C=21,2650.0,4.0,2.0,0.0,171.24299999999994,12.0,0.0,C1CCCC2NC3=CC=CC=C3C=21,3.423245873936808,"1,2,3,4-Tetrahydrocarbazole"
C1CCCC2NN=NC=21,2100.0,1.0,2.0,0.0,123.159,6.0,0.0,C1CCCC2NN=NC=21,3.322219294733919,"1H-Benzotriazole, 4,5,6,7-tetrahydro-"
C1CCCC=C1,1722.75,1.0,2.0,0.0,82.146,6.0,0.0,C1CCCC=C1,3.236222258586726,Cyclohexene
C1CCCCC1,9790.0,1.0,2.0,0.0,84.162,6.0,0.0,C1CCCCC1,3.9907826918031377,Cyclohexane
C1CCCCC1C1C=CC=CC=1,2751.0,4.0,1.0,0.0,160.26,12.0,0.0,C1CCCCC1C1C=CC=CC=1,3.4394905903896835,Cyclohexylbenzene
C1CCCCC1N(SC1=NC2C=CC=CC=2S1)C1CCCCC1,6000.0,3.0,2.0,1.0,346.5650000000001,19.0,0.0,C1CCCCC1N(SC1=NC2C=CC=CC=2S1)C1CCCCC1,3.7781512503836434,"N,N-Dicyclohexyl-2-benzothiazolesulfenamide"
C1CCCCC1N=C=NC1CCCCC1,400.0,4.0,1.0,0.0,206.33299999999997,13.0,0.0,C1CCCCC1N=C=NC1CCCCC1,2.6020599913279625,Dicyclohexylcarbodiimide
C1CCCCC1N=CC1C=CC=CC=1,3080.0,4.0,2.0,0.0,187.28600000000003,13.0,0.0,C1CCCCC1N=CC1C=CC=CC=1,3.4885507165004443,"Cyclohexanamine, N-(phenylmethylene)-"
C1CCCCC1NC1C=CC(=CC=1)NC1C=CC=CC=1,3500.0,4.0,2.0,1.0,266.3879999999999,18.0,0.0,C1CCCCC1NC1C=CC(=CC=1)NC1C=CC=CC=1,3.5440680443502757,N-Cyclohexyl-N'-phenyl-4-phenylenediamine
C1CCCCC1NC1CCCCC1,605.5,4.0,2.0,0.0,181.32299999999995,12.0,0.0,C1CCCCC1NC1CCCCC1,2.782114147479071,Dicyclohexylamine
C1CCCCC1NSC1=NC2C=CC=CC=2S1,5300.0,4.0,2.0,0.0,264.4189999999999,13.0,0.0,C1CCCCC1NSC1=NC2C=CC=CC=2S1,3.724275869600789,N-Cyclohexyl-2-benzothiazolesulfenamide
C1CCCCC1P(C1CCCCC1)C1C=CC=CC=1,820.0,4.0,2.0,1.0,274.3879999999999,18.0,0.0,C1CCCCC1P(C1CCCCC1)C1C=CC=CC=1,2.9138138523837167,"Phosphine, dicyclohexylphenyl-"
C1CCCCCCCCCCC1,8438.0,4.0,1.0,0.0,168.32399999999998,12.0,0.0,C1CCCCCCCCCCC1,3.9262395210458623,Cyclododecane
C1CCCCCN1,20.7,2.0,2.0,0.0,99.177,6.0,0.0,C1CCCCCN1,1.3159703454569178,Hexamethyleneimine
C1CCCCN1,289.5,1.0,2.0,0.0,85.15,5.0,0.0,C1CCCCN1,2.4616485680634552,"Piperidine, hydrochloride (1:1)"
C1CCCCN1SC1NC2=CC=CC=C2N=1,853.0,4.0,2.0,0.0,233.33999999999995,12.0,0.0,C1CCCCN1SC1NC2=CC=CC=C2N=1,2.930949031167523,"Piperidine, 1-(1H-benzimidazol-2-ylthio)-"
C1CCCCN2N=NN=C21,140.0,2.0,2.0,0.0,138.174,6.0,0.0,C1CCCCN2N=NN=C21,2.146128035678238,Pentylenetetrazol
C1CCCN1,365.0,1.0,2.0,0.0,71.123,4.0,0.0,C1CCCN1,2.5622928644564746,Pyrrolidine
C1CCCO1,1650.0,1.0,2.0,0.0,72.107,4.0,1.0,C1CCCO1,3.2174839442139063,Tetrahydrofuran
C1CCCS1,1850.0,1.0,2.0,0.0,88.175,4.0,0.0,C1CCCS1,3.2671717284030137,Tetrahydrothiophene
C1CCN2CCCCCC2=N1,448.0,3.0,2.0,0.0,152.241,9.0,0.0,C1CCN2CCCCCC2=N1,2.651278013998144,"Formic acid, compd. with 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine (1:1)"
C1CCN2CCCN=C2N1,550.0,3.0,2.0,0.0,139.202,7.0,0.0,C1CCN2CCCN=C2N1,2.7403626894942437,"1,3,4,6,7,8-Hexahydro-2H-pyrimido(1,2-a)pyrimidine"
C1CCNCCN1,2830.0,0.0,2.0,0.0,100.165,5.0,0.0,C1CCNCCN1,3.45178643552429,"1H-1,4-Diazepine, hexahydro-"
C1CCOC2CCCCCCCCCCC=21,2751.0,4.0,1.0,0.0,222.37199999999993,15.0,1.0,C1CCOC2CCCCCCCCCCC=21,3.4394905903896835,"2H-Cyclododeca[b]pyran, 3,4,5,6,7,8,9,10,11,12,13,14-dodecahydro-"
C1CCOC=C1,4600.0,1.0,2.0,0.0,84.11800000000001,5.0,1.0,C1CCOC=C1,3.662757831681574,"3,4-Dihydro-2H-pyran"
C1CC[SiH2]1,1539.0,1.0,2.0,0.0,72.18299999999999,3.0,0.0,C1CC[SiH2]1,3.187238619831479,Silacyclobutane
C1CN(CCN1)C(C1C=CC=CC=1)C1C=CC=CC=1,500.0,4.0,3.0,0.0,252.36099999999993,17.0,0.0,C1CN(CCN1)C(C1C=CC=CC=1)C1C=CC=CC=1,2.6989700043360187,Norcyclizine
C1CN(CCN1)C1C=CC=CC=1,210.0,4.0,2.0,0.0,162.23600000000002,10.0,0.0,C1CN(CCN1)C1C=CC=CC=1,2.322219294733919,Phenylpiperazine
C1CN(CCO1)C(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1,146.0,4.0,2.0,0.0,329.44300000000015,23.0,1.0,C1CN(CCO1)C(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1,2.164352855784437,Trifenmorph
C1CN(CCO1)C1C=CC=CC=1,930.0,4.0,2.0,0.0,163.22,10.0,1.0,C1CN(CCO1)C1C=CC=CC=1,2.9684829485539352,"Morpholine, 4-phenyl-"
C1CN(CCO1)C1CCCCC1,178.0,4.0,2.0,0.0,169.26799999999997,10.0,1.0,C1CN(CCO1)C1CCCCC1,2.250420002308894,"Morpholine, 4-cyclohexyl-"
C1CN(CCOC2=NNC3CCCCC=32)CCO1,1600.0,4.0,3.0,0.0,251.32999999999996,13.0,2.0,C1CN(CCOC2=NNC3CCCCC=32)CCO1,3.2041199826559246,"1H-Indazole, 4,5,6,7-tetrahydro-3-(2-(4-morpholinyl)ethoxy)-"
C1CN1,10.0,0.0,2.0,0.0,43.069,2.0,0.0,C1CN1,1.0,Ethyleneimine
C1CN1C1N=C(N=C(N=1)N1CC1)N1CC1,13.0,3.0,2.0,0.0,204.23699999999997,9.0,0.0,C1CN1C1N=C(N=C(N=1)N1CC1)N1CC1,1.1139433523068367,Triethylenemelamine
C1CN2CCC1CC2,81.2,2.0,2.0,0.0,111.188,7.0,0.0,C1CN2CCC1CC2,1.9095560292411753,Quinuclidine
C1CN2CCN1CC2,1865.0,2.0,2.0,0.0,112.176,6.0,0.0,C1CN2CCN1CC2,3.2706788361447066,"1,4-Diazabicyclo[2.2.2]octane, diacetate"
C1CN=C(N1)C1C=CC=CC=1,314.0,3.0,2.0,0.0,146.193,9.0,0.0,C1CN=C(N1)C1C=CC=CC=1,2.496929648073215,"1H-Imidazole, 4,5-dihydro-2-phenyl-"
C1CNCCN1,3737.5,0.0,2.0,0.0,86.138,4.0,0.0,C1CNCCN1,3.5725812013324862,Piperazine hexahydrate
C1CNCCNCCNCCN1,1003.0,3.0,2.0,0.0,172.276,8.0,0.0,C1CNCCNCCNCCN1,3.0013009330204183,Cyclen tetrahydrochloride
C1CO1,201.0,1.0,2.0,0.0,44.053,2.0,1.0,C1CO1,2.303196057420489,Ethylene oxide
C1COC(NC(C2CC2)C2CC2)=N1,295.0,4.0,2.0,0.0,180.251,10.0,1.0,C1COC(NC(C2CC2)C2CC2)=N1,2.469822015978163,Rilmenidine
C1COC2=CSC=C2O1,1150.0,1.0,2.0,0.0,142.179,6.0,2.0,C1COC2=CSC=C2O1,3.060697840353612,"Thieno[3,4-b]-1,4-dioxin, 2,3-dihydro-"
C1COC2C=CC=CC=2OCCOCCOC2=CC=CC=C2OCCO1,2600.0,4.0,2.0,0.0,360.40600000000023,20.0,6.0,C1COC2C=CC=CC=2OCCOCCOC2=CC=CC=C2OCCO1,3.4149733479708178,Dibenzo-18-crown-6
C1COC2CCCCC2OCCOCCOC2CCCCC2OCCO1,176.0,4.0,2.0,0.0,372.50200000000024,20.0,6.0,C1COC2CCCCC2OCCOCCOC2CCCCC2OCCO1,2.24551266781415,"Dibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin, eicosahydro-"
C1COCCN1,2280.6666666666665,1.0,2.0,0.0,87.122,4.0,1.0,C1COCCN1,3.358061815129381,"Morpholine, acetate"
C1COCCN1CCOCCN1CCOCC1,2528.0,4.0,2.0,0.0,244.3349999999999,12.0,3.0,C1COCCN1CCOCCN1CCOCC1,3.402777069610347,"4,4'-(Oxydiethylene)bis(morpholine)"
C1COCCN1SC1=NC2C=CC=CC=2S1,8970.0,4.0,3.0,0.0,252.36399999999995,11.0,1.0,C1COCCN1SC1=NC2C=CC=CC=2S1,3.952792443044092,N-Oxydiethylenebenzothiazole-2-sulfenamide
C1COCCN1SSN1CCOCC1,4950.0,4.0,2.0,0.0,236.3619999999999,8.0,2.0,C1COCCN1SSN1CCOCC1,3.694605198933569,"4,4'-Dithiodimorpholine"
C1COCCN1SSSSN1CCOCC1,4800.0,4.0,3.0,0.0,300.4960000000001,8.0,2.0,C1COCCN1SSSSN1CCOCC1,3.681241237375587,"Morpholine, 4,4'-tetrathiobis-"
C1COCCNCCOCCOCCNCCO1,3400.0,3.0,3.0,0.0,262.3499999999999,12.0,4.0,C1COCCNCCOCCOCCNCCO1,3.531478917042255,Cryptand 2.2
C1COCCO1,4675.0,1.0,2.0,0.0,88.106,4.0,2.0,C1COCCO1,3.6697816152085365,"1,4-Dioxane"
C1COCCOC2CCCCC2OCCOCCOCCOC2CCCCC2OCCO1,75.0,3.0,2.0,0.0,460.6080000000004,24.0,8.0,C1COCCOC2CCCCC2OCCOCCOCCOC2CCCCC2OCCO1,1.8750612633917,
C1COCCOCCOCCO1,2830.0,4.0,2.0,0.0,176.21199999999996,8.0,4.0,C1COCCOCCOCCO1,3.45178643552429,"1,4,7,10-Tetraoxacyclododecane"
C1COCCOCCOCCOCCO1,1410.0,4.0,2.0,0.0,220.26499999999993,10.0,5.0,C1COCCOCCOCCOCCO1,3.1492191126553797,"1,4,7,10,13-Pentaoxacyclopentadecane"
C1COCCOCCOCCOCCOCCO1,525.0,4.0,3.0,0.0,264.3179999999999,12.0,6.0,C1COCCOCCOCCOCCOCCO1,2.720159303405957,18-Crown-6?
C1CO[Si]2(OCCN1CCO2)C1C=CC=CC=1,1.48,4.0,3.0,0.0,251.35799999999995,12.0,3.0,C1CO[Si]2(OCCN1CCO2)C1C=CC=CC=1,0.17026171539495738,Phenylsilatrane
C1CS1,178.0,1.0,2.0,0.0,60.120999999999995,2.0,0.0,C1CS1,2.250420002308894,Ethylene sulfide
C1CSC(NC2=CC=CC3=CC=CC=C32)=N1,50.0,4.0,2.0,0.0,228.32,13.0,0.0,C1CSC(NC2=CC=CC3=CC=CC=C32)=N1,1.6989700043360187,"2-Thiazoline, 2-(1-naphthylamino)-"
C1CSCCO1,2830.0,1.0,2.0,0.0,104.174,4.0,1.0,C1CSCCO1,3.45178643552429,"1,4-Oxathiane"
C1CSCCS1,2768.0,1.0,2.0,0.0,120.242,4.0,0.0,C1CSCCS1,3.44216608578472,"1,4-Dithiane"
C1C[N+]2=CC=CC=C2C2C=CC=C[N+]=21,225.5,4.0,2.0,0.0,184.24199999999996,12.0,0.0,C1C[N+]2=CC=CC=C2C2C=CC=C[N+]=21,2.3531465462139796,Diquat
C1C[N+]2C=CC=CC=2C2C=CC=C[N+]=21,205.0,4.0,2.0,0.0,184.24199999999996,12.0,0.0,C1C[N+]2C=CC=CC=2C2C=CC=C[N+]=21,2.311753861055754,Diquat dibromide monohydrate
C1N2CN3CN1CN(C2)C3,10001.0,1.0,2.0,0.0,140.19,6.0,0.0,C1N2CN3CN1CN(C2)C3,4.000043427276863,Hexamethylene tetramine hydrochloride
C1NC=CN=1,965.0,1.0,2.0,0.0,68.079,3.0,0.0,C1NC=CN=1,2.9845273133437926,Imidazole
C1NCCC2C=CC=CC=21,300.0,3.0,2.0,0.0,133.194,9.0,0.0,C1NCCC2C=CC=CC=21,2.4771212547196626,"1,2,3,4-Tetrahydroisoquinoline"
C1NNCN2CNNCN21,397.0,1.0,2.0,0.0,144.182,4.0,0.0,C1NNCN2CNNCN21,2.598790506763115,Tetraformaltrisazine
C1OC(OCC21COC(OC2)C1CC=CCC1)C1CC=CCC1,7500.0,4.0,3.0,0.0,320.42900000000014,19.0,4.0,C1OC(OCC21COC(OC2)C1CC=CCC1)C1CC=CCC1,3.8750612633917,"3,9-Dicyclohex-3-enyl-2,4,8,10-tetraoxaspiro[5.5]undecane"
C1OC1C1C=CC2OC=2C=1,2830.0,1.0,2.0,0.0,134.134,8.0,2.0,C1OC1C1C=CC2OC=2C=1,3.45178643552429,
C1OC1C1C=CC=CC=1,3806.0,1.0,2.0,0.0,120.15099999999995,8.0,1.0,C1OC1C1C=CC=CC=1,3.5804687839510017,Styrene oxide
C1OC1C1CO1,78.0,1.0,2.0,0.0,86.09,4.0,2.0,C1OC1C1CO1,1.8920946026904804,"2,2'-Bioxirane"
C1OC2=CC=CC=C2O1,580.0,1.0,2.0,0.0,122.12299999999998,7.0,2.0,C1OC2=CC=CC=C2O1,2.7634279935629373,"1,3-Benzodioxolane"
C1OC2C=CC(CCC(CCC3=CC4OCOC=4C=C3)N3CCCC3)=CC=2O1,565.0,4.0,1.0,0.0,381.4720000000002,23.0,4.0,C1OC2C=CC(CCC(CCC3=CC4OCOC=4C=C3)N3CCCC3)=CC=2O1,2.7520484478194387,"Pyrrolidine, 1-(3-(1,3-benzodioxol-5-yl)-1-(2-(1,3-benzodioxol-5-yl)ethyl)propyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (salt)"
C1OCCCCO1,4523.0,1.0,2.0,0.0,102.133,5.0,2.0,C1OCCCCO1,3.6554265877459184,"1,3-Dioxepane"
C1OCCO1,4163.0,1.0,2.0,0.0,74.079,3.0,2.0,C1OCCO1,3.619406410886777,"1,3-Dioxolane"
C1OCOCO1,8500.0,1.0,2.0,0.0,90.078,3.0,3.0,C1OCOCO1,3.929418925714293,"1,3,5-Trioxane"
C=C(C1C=CC=CC=1)C1C=CC=CC=1,2751.0,4.0,1.0,0.0,180.24999999999997,14.0,0.0,C=C(C1C=CC=CC=1)C1C=CC=CC=1,3.4394905903896835,"Benzene, 1,1'-ethenylidenebis-"
C=C(CC(=O)C1C=CC(=CC=1)C1=CC=CC=C1Cl)C(O)=O,2400.0,4.0,2.0,0.0,300.74100000000004,17.0,3.0,C=C(CC(=O)C1C=CC(=CC=1)C1=CC=CC=C1Cl)C(O)=O,3.380211241711606,Itanoxone
C=C(CC(O)=O)C(O)=O,2969.0,1.0,2.0,0.0,130.099,5.0,4.0,C=C(CC(O)=O)C(O)=O,3.472610197596045,"Butanedioic acid, methylene-, disodium salt"
C=C(CCl)CCl,150.0,1.0,2.0,0.0,124.998,4.0,0.0,C=C(CCl)CCl,2.1760912590556813,3-Chloro-2-chloromethyl-1-propene
C=C(Cl)C#N,25.0,1.0,2.0,0.0,87.509,3.0,0.0,C=C(Cl)C#N,1.3979400086720377,2-Chloroacrylonitrile
C=C(Cl)C(=C)Cl,161.0,1.0,2.0,0.0,122.982,4.0,0.0,C=C(Cl)C(=C)Cl,2.2068258760318495,"2,3-Dichloro-1,3-butadiene"
C=C(Cl)C(Cl)=C(Cl)Cl,421.0,2.0,1.0,0.0,191.872,4.0,0.0,C=C(Cl)C(Cl)=C(Cl)Cl,2.6242820958356683,"1,3-Butadiene, 1,1,2,3-tetrachloro-"
C=C(Cl)C(Cl)CCl,341.0,1.0,2.0,0.0,159.44299999999998,4.0,0.0,C=C(Cl)C(Cl)CCl,2.5327543789924976,"2,3,4-Trichloro-1-butene"
C=C(Cl)C1C=CC(=CC=1)[N+]([O-])=O,710.0,3.0,2.0,0.0,183.594,8.0,2.0,C=C(Cl)C1C=CC(=CC=1)[N+]([O-])=O,2.8512583487190755,"Styrene, alpha-chloro-p-nitro-"
C=C(Cl)CCl,320.0,1.0,2.0,0.0,110.971,3.0,0.0,C=C(Cl)CCl,2.505149978319906,"2,3-Dichloro-1-propene"
C=C(Cl)CN=C=S,40.0,1.0,2.0,0.0,133.603,4.0,0.0,C=C(Cl)CN=C=S,1.6020599913279623,"Isothiocyanic acid, 2-chloroallyl ester"
C=C(Cl)Cl,1250.0,1.0,2.0,0.0,96.944,2.0,0.0,C=C(Cl)Cl,3.0969100130080562,"1,1-Dichloroethylene"
C=C(F)CO,130.0,1.0,2.0,0.0,76.07,3.0,1.0,C=C(F)CO,2.113943352306837,2-Fluoro-2-propen-1-ol
C=C1CC1CC(N)C(O)=O,98.0,2.0,2.0,0.0,141.17000000000002,7.0,2.0,C=C1CC1CC(N)C(O)=O,1.9912260756924949,Hypoglycine A
C=CBr,500.0,1.0,2.0,0.0,106.95,2.0,0.0,C=CBr,2.6989700043360187,Vinyl bromide
C=CC#N,90.0,1.0,2.0,0.0,53.06399999999999,3.0,0.0,C=CC#N,1.954242509439325,Acrylonitrile
C=CC(=C)Cl,353.0,1.0,2.0,0.0,88.537,4.0,0.0,C=CC(=C)Cl,2.5477747053878224,Chloroprene
C=CC(=O)N1CN(CN(C1)C(=O)C=C)C(=O)C=C,350.0,4.0,2.0,0.0,249.26999999999995,12.0,3.0,C=CC(=O)N1CN(CN(C1)C(=O)C=C)C(=O)C=C,2.5440680443502757,"Hexahydro-1,3,5-tris(1-oxoallyl)-1,3,5-triazine"
C=CC(=O)NC1C=CC(O)=CC=1,930.0,4.0,2.0,0.0,163.176,9.0,2.0,C=CC(=O)NC1C=CC(O)=CC=1,2.9684829485539352,"Acrylanilide, 4'-hydroxy-"
C=CC(=O)NCNC(=O)C=C,390.0,2.0,2.0,0.0,154.16899999999998,7.0,2.0,C=CC(=O)NCNC(=O)C=C,2.591064607026499,"N,N'-Methylenebisacrylamide"
C=CC(=O)NCO,391.0,0.0,2.0,0.0,101.105,4.0,2.0,C=CC(=O)NCO,2.5921767573958667,N-Methylolacrylamide
C=CC(=O)OC1=C(Br)C=C(Cl)C2C=CC=NC=21,10000.0,4.0,2.0,0.0,312.55,12.0,2.0,C=CC(=O)OC1=C(Br)C=C(Cl)C2C=CC=NC=21,4.0,Halacrinate
C=CC(=O)OCC(CO)(COC(=O)C=C)COC(=O)C=C,1830.0,4.0,2.0,0.0,298.291,14.0,7.0,C=CC(=O)OCC(CO)(COC(=O)C=C)COC(=O)C=C,3.2624510897304293,Pentaerythritol triacrylate
C=CC(=O)OCC(O)COC1C=CC=CC=1,3500.0,4.0,2.0,0.0,222.24,12.0,4.0,C=CC(=O)OCC(O)COC1C=CC=CC=1,3.5440680443502757,2-Hydroxy-3-phenoxypropyl prop-2-enoate
C=CC(=O)OCC1C(Br)=C(Br)C(Br)=C(Br)C=1Br,7500.0,2.0,1.0,2.0,556.6680000000001,10.0,2.0,C=CC(=O)OCC1C(Br)=C(Br)C(Br)=C(Br)C=1Br,3.8750612633917,(Pentabromophenyl)methyl acrylate
C=CC(=O)OCC1C=CC=CC=1,3500.0,4.0,2.0,0.0,162.188,10.0,2.0,C=CC(=O)OCC1C=CC=CC=1,3.5440680443502757,Benzyl acrylate
C=CC(=O)OCC1CCCO1,928.0,3.0,2.0,0.0,156.18099999999998,8.0,3.0,C=CC(=O)OCC1CCCO1,2.967547976218862,Tetrahydrofurfuryl acrylate
C=CC(=O)OCC1CO1,180.0,1.0,2.0,0.0,128.12699999999998,6.0,3.0,C=CC(=O)OCC1CO1,2.255272505103306,Glycidyl acrylate
C=CC(=O)OCCC#N,180.0,1.0,2.0,0.0,125.127,6.0,2.0,C=CC(=O)OCCC#N,2.255272505103306,2-Cyanoethyl prop-2-enoate
C=CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,3500.0,4.0,0.0,0.0,418.14899999999994,11.0,2.0,C=CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,3.5440680443502757,"2-Propenoic acid, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl ester"
C=CC(=O)OCCCCCCOC(=O)C=C,5626.0,4.0,1.0,0.0,226.27199999999996,12.0,4.0,C=CC(=O)OCCCCCCOC(=O)C=C,3.750199727829182,"1,6-Hexanediol diacrylate"
C=CC(=O)OCCCCO,851.0,2.0,2.0,0.0,144.17000000000002,7.0,3.0,C=CC(=O)OCCCCO,2.929929560084588,4-Hydroxybutyl prop-2-enoate
C=CC(=O)OCCCCOC(=O)C=C,1265.0,4.0,2.0,0.0,198.218,10.0,4.0,C=CC(=O)OCCCCOC(=O)C=C,3.1020905255118367,"1,4-Butanediol diacrylate"
C=CC(=O)OCCCCOC(=O)OC1C=CC(=CC=1)C(=O)C1C=CC=CC=1,3600.0,4.0,0.0,0.0,368.3850000000001,21.0,6.0,C=CC(=O)OCCCCOC(=O)OC1C=CC(=CC=1)C(=O)C1C=CC=CC=1,3.5563025007672873,"2-Propenoic acid, 4-[[(4-benzoylphenoxy)carbonyl]oxy]butyl ester"
C=CC(=O)OCCCS(O)(=O)=O,6250.0,4.0,2.0,0.0,194.208,6.0,5.0,C=CC(=O)OCCCS(O)(=O)=O,3.7958800173440754,"2-Propenoic acid, 3-sulfopropyl ester, sodium salt"
C=CC(=O)OCCCl,180.0,1.0,2.0,0.0,134.562,5.0,2.0,C=CC(=O)OCCCl,2.255272505103306,2-Chloroethyl acrylate
C=CC(=O)OCCO,805.0,1.0,2.0,0.0,116.116,5.0,3.0,C=CC(=O)OCCO,2.9057958803678687,2-Hydroxyethyl acrylate
C=CC(=O)OCCOC(=O)C1=CC=C(C=C1C(O)=O)C(O)=O,3190.0,4.0,3.0,0.0,308.2420000000001,14.0,8.0,C=CC(=O)OCCOC(=O)C1=CC=C(C=C1C(O)=O)C(O)=O,3.503790683057181,"1,2,4-Benzenetricarboxylic acid, 1-[2-[(1-oxo-2-propen-1-yl)oxy]ethyl] ester"
C=CC(=O)OCCOC(=O)C=C,300.0,4.0,2.0,0.0,170.164,8.0,4.0,C=CC(=O)OCCOC(=O)C=C,2.4771212547196626,Ethylene acrylate
C=CC(=O)OCCOC1C=CC=CC=1,7500.0,4.0,2.0,0.0,192.21400000000003,11.0,3.0,C=CC(=O)OCCOC1C=CC=CC=1,3.8750612633917,2-Phenoxyethyl acrylate
C=CC(=O)OCCOCCOC(=O)C=C,250.0,4.0,1.0,0.0,214.21699999999996,10.0,5.0,C=CC(=O)OCCOCCOC(=O)C=C,2.3979400086720375,Diethylene glycol diacrylate
C=CC(=O)OCCOCCOC=C,1954.0,4.0,1.0,0.0,186.207,9.0,4.0,C=CC(=O)OCCOCCOC=C,3.2909245593827543,"2-Propenoic acid, 2-[2-(ethenyloxy)ethoxy]ethyl ester"
C=CC(=O)OCCOCCOCCOC(=O)C=C,500.0,4.0,2.0,0.0,258.27,12.0,6.0,C=CC(=O)OCCOCCOCCOC(=O)C=C,2.6989700043360187,Triethylene glycol diacrylate
C=CC(=O)OCCOCCOCCOCCOC(=O)C=C,727.0,4.0,2.0,0.0,302.323,14.0,7.0,C=CC(=O)OCCOCCOCCOCCOC(=O)C=C,2.8615344108590377,Tetraethylene glycol diacrylate
C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,3500.0,4.0,2.0,0.0,346.08599999999996,8.0,0.0,C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,3.5440680443502757,"1-Octene, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-"
C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,10001.0,2.0,1.0,0.0,246.07199999999995,6.0,0.0,C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F,4.000043427276863,"1H,1H,2H-Perfluoro-1-hexene"
C=CC(N)=O,264.0,1.0,2.0,0.0,71.079,3.0,1.0,C=CC(N)=O,2.4216039268698313,Acrylamide
C=CC(N)CCC(O)=O,3000.0,2.0,2.0,0.0,129.159,6.0,2.0,C=CC(N)CCC(O)=O,3.4771212547196626,Vigabatrin
C=CC(O)=O,3312.5,1.0,2.0,0.0,72.06299999999999,3.0,2.0,C=CC(O)=O,3.520155886944864,"2-Propenoic acid, silver(1+) salt (1:1)"
C=CC1=CC(Br)=CC=C1Br,6327.0,3.0,2.0,0.0,261.94399999999996,8.0,0.0,C=CC1=CC(Br)=CC=C1Br,3.801197834459149,"Benzene, ethenyl-, ar-bromo derivs."
C=CC1=CC=CC=C1Cl,5200.0,2.0,2.0,0.0,138.59699999999998,8.0,0.0,C=CC1=CC=CC=C1Cl,3.716003343634799,2-Chlorostyrene
C=CC1=CC=CC=N1,344.0,1.0,2.0,0.0,105.14,7.0,0.0,C=CC1=CC=CC=N1,2.53655844257153,2-Vinylpyridine
C=CC1C=C(C=CC=1O)C=C,2751.0,3.0,2.0,0.0,146.18899999999996,10.0,1.0,C=CC1C=C(C=CC=1O)C=C,3.4394905903896835,Styrenated phenol
C=CC1C=CC(Cl)=CC=1,5200.0,2.0,2.0,0.0,138.597,8.0,0.0,C=CC1C=CC(Cl)=CC=1,3.716003343634799,"Benzene, 1-chloro-4-ethenyl-"
C=CC1C=CC(O)=CC=1,1150.0,1.0,2.0,0.0,120.15099999999995,8.0,1.0,C=CC1C=CC(O)=CC=1,3.060697840353612,4-Ethenyl-phenol
C=CC1C=CC=C(Cl)C=1,5200.0,2.0,2.0,0.0,138.597,8.0,0.0,C=CC1C=CC=C(Cl)C=1,3.716003343634799,m-Chlorostyrene
C=CC1C=CC=CC=1,2032.0,1.0,2.0,0.0,104.15199999999996,8.0,0.0,C=CC1C=CC=CC=1,3.307923703611882,Styrene
C=CC1C=CN=CC=1,125.0,1.0,2.0,0.0,105.14,7.0,0.0,C=CC1C=CN=CC=1,2.0969100130080562,4-Vinylpyridine
C=CC1CC2CC1C=C2,6136.0,2.0,2.0,0.0,120.19499999999996,9.0,0.0,C=CC1CC2CC1C=C2,3.7878853509409245,5-Vinyl-2-norbornene
C=CC1CC=CCC1,2563.0,2.0,2.0,0.0,108.18399999999998,8.0,0.0,C=CC1CC=CCC1,3.408748606184244,4-Vinylcyclohexene
C=CC1CCC(CC1C=C)C=C,7500.0,4.0,1.0,0.0,162.27599999999995,12.0,0.0,C=CC1CCC(CC1C=C)C=C,3.8750612633917,CERAPP_48402
C=CC1CN2CCC1CC2C(O)C1=CC=NC2C=CC=CC1=2,456.0,4.0,3.0,0.0,294.398,19.0,1.0,C=CC1CN2CCC1CC2C(O)C1=CC=NC2C=CC=CC1=2,2.658964842664435,Cinchonine
C=CC1CSC2C(NC(=O)C(=NOCC(O)=O)C3=CSC(N)=N3)C(=O)N2C=1C(O)=O,10000.0,3.0,1.0,0.0,453.45800000000014,16.0,7.0,C=CC1CSC2C(NC(=O)C(=NOCC(O)=O)C3=CSC(N)=N3)C(=O)N2C=1C(O)=O,4.0,Cefixime
C=CC1CSC2C(NC(=O)C(N=O)C3=CSC(N)=N3)C(=O)N2C=1C(O)=O,5600.0,4.0,2.0,0.0,395.4220000000001,14.0,5.0,C=CC1CSC2C(NC(=O)C(N=O)C3=CSC(N)=N3)C(=O)N2C=1C(O)=O,3.7481880270062002,Cefdinir
C=CC1OCC2(CO1)COC(C=C)OC2,3250.0,4.0,2.0,0.0,212.245,11.0,4.0,C=CC1OCC2(CO1)COC(C=C)OC2,3.5118833609788744,
C=CC1OCCO1,84.7,1.0,2.0,0.0,100.117,5.0,2.0,C=CC1OCCO1,1.927883410330707,"1,3-Dioxolane, 2-ethenyl-"
C=CC=C,5480.0,1.0,2.0,0.0,54.09199999999999,4.0,0.0,C=CC=C,3.738780558484369,"1,3-Butadiene"
C=CC=CC=C,210.0,1.0,2.0,0.0,80.13,6.0,0.0,C=CC=CC=C,2.322219294733919,"1,3,5-Hexatriene"
C=CC=O,20.4,1.0,2.0,0.0,56.064,3.0,1.0,C=CC=O,1.3096301674258988,Acrolein
C=CCBr,157.0,1.0,2.0,0.0,120.977,3.0,0.0,C=CCBr,2.1958996524092336,Allyl bromide
C=CCC#N,115.0,1.0,2.0,0.0,67.091,4.0,0.0,C=CCC#N,2.060697840353612,Allyl cyanide
C=CCC1C=C2OCOC2=CC=1,1950.0,4.0,2.0,0.0,162.18799999999993,10.0,2.0,C=CCC1C=C2OCOC2=CC=1,3.290034611362518,Safrole
C=CCC1C=CC=CC=1,5540.0,2.0,2.0,0.0,118.17899999999996,9.0,0.0,C=CCC1C=CC=CC=1,3.74350976472843,CERAPP_27158
C=CCCC(=O)Cl,470.0,1.0,2.0,0.0,118.563,5.0,1.0,C=CCCC(=O)Cl,2.6720978579357175,4-Pentenoyl chloride
C=CCCC(O)=O,470.0,1.0,2.0,0.0,100.11699999999998,5.0,2.0,C=CCCC(O)=O,2.6720978579357175,4-Pentenoic acid
C=CCCC=C,3500.0,1.0,2.0,0.0,82.14599999999999,6.0,0.0,C=CCCC=C,3.5440680443502757,"1,5-Hexadiene"
C=CCCC=O,620.0,1.0,2.0,0.0,84.11799999999998,5.0,1.0,C=CCCC=O,2.792391689498254,4-Pentenal
C=CCCCCC=C,2751.0,2.0,2.0,0.0,110.2,8.0,0.0,C=CCCCCC=C,3.4394905903896835,"1,7-Octadiene"
C=CCCCCCC=O,3500.0,2.0,2.0,0.0,126.19899999999998,8.0,1.0,C=CCCCCCC=O,3.5440680443502757,Oct-7-enal
C=CCCCCCCCCC(=O)NCC(O)=O,3500.0,4.0,1.0,0.0,241.331,13.0,3.0,C=CCCCCCCCCC(=O)NCC(O)=O,3.5440680443502757,Undecylenoyl glycine
C=CCCCCCCCCC(O)=O,2166.0,4.0,1.0,0.0,184.279,11.0,2.0,C=CCCCCCCCCC(O)=O,3.3356584522893016,Sodium undecylenate
C=CCCCCCCCCC=O,7500.0,4.0,1.0,0.0,168.28,11.0,1.0,C=CCCCCCCCCC=O,3.8750612633917,Undec-10-enal
C=CCCCCCCCCCCCCCS(O)(=O)=O,3070.0,4.0,1.0,0.0,290.469,15.0,3.0,C=CCCCCCCCCCCCCCS(O)(=O)=O,3.4871383754771865,Sodium C14-16 alpha-olefin sulfonate
C=CCCCCCCCCCO,7500.0,4.0,1.0,0.0,170.296,11.0,1.0,C=CCCCCCCCCCO,3.8750612633917,10-Undecen-1-ol
C=CCCCCCCCCO,10000.0,3.0,1.0,0.0,156.269,10.0,1.0,C=CCCCCCCCCO,4.0,9-Decen-1-ol
C=CCCCCO,3500.0,1.0,2.0,0.0,100.161,6.0,1.0,C=CCCCCO,3.5440680443502757,5-Hexen-1-ol
C=CCCl,422.0,1.0,2.0,0.0,76.526,3.0,0.0,C=CCCl,2.625312450961674,Allyl chloride
C=CCI,10.0,2.0,2.0,0.0,167.97699999999998,3.0,0.0,C=CCI,1.0,"1-Propene, 3-iodo-"
C=CCN,105.0,1.0,2.0,0.0,57.09599999999999,3.0,0.0,C=CCN,2.0211892990699383,Allylamine
C=CCN(C1C(Cl)=CC=CC=1Cl)C1NCCN=1,500.0,4.0,3.0,0.0,270.163,12.0,0.0,C=CCN(C1C(Cl)=CC=CC=1Cl)C1NCCN=1,2.6989700043360187,Alinidine
C=CCN(CC=C)C(=O)C(Cl)Cl,3500.0,4.0,2.0,0.0,208.088,8.0,1.0,C=CCN(CC=C)C(=O)C(Cl)Cl,3.5440680443502757,Dichlormid
C=CCN(CC=C)C(=O)CCl,700.0,4.0,2.0,0.0,173.64299999999997,8.0,1.0,C=CCN(CC=C)C(=O)CCl,2.845098040014257,Allidochlor
C=CCN(CC=C)CC=C,1030.0,3.0,2.0,0.0,137.22599999999997,9.0,0.0,C=CCN(CC=C)CC=C,3.012837224705172,Triallylamine
C=CCN(CC=C)N=O,800.0,1.0,2.0,0.0,126.159,6.0,1.0,C=CCN(CC=C)N=O,2.9030899869919438,Diallylnitrosamine
C=CCN1C(=O)N(CC=C)C(=O)N(CC=C)C1=O,786.0,4.0,2.0,0.0,249.26999999999995,12.0,3.0,C=CCN1C(=O)N(CC=C)C(=O)N(CC=C)C1=O,2.895422546039408,Triallyl isocyanurate
C=CCN1CCC23C4OC5C2=C(CC1C3C=CC4O)C=CC=5O,1150.0,4.0,3.0,0.0,311.3810000000001,19.0,3.0,C=CCN1CCC23C4OC5C2=C(CC1C3C=CC4O)C=CC=5O,3.060697840353612,Nalorphine hydrochloride
C=CCN1CCC23CCCCC2C1CC1C=CC(O)=CC3=1,949.0,4.0,2.0,0.0,283.415,19.0,1.0,C=CCN1CCC23CCCCC2C1CC1C=CC(O)=CC3=1,2.977266212427293,Levallorphan
C=CCN1CCC2SC(N)=NC=2CC1,403.0,4.0,2.0,0.0,209.31799999999996,10.0,0.0,C=CCN1CCC2SC(N)=NC=2CC1,2.6053050461411096,Talipexole
C=CCN1CCCC1=NC1=CC(Cl)=C(Cl)C=C1,1850.0,4.0,2.0,0.0,269.175,13.0,0.0,C=CCN1CCCC1=NC1=CC(Cl)=C(Cl)C=C1,3.2671717284030137,
C=CCN=C=S,226.0,1.0,2.0,0.0,99.158,4.0,0.0,C=CCN=C=S,2.3541084391474008,Allyl isothiocyanate
C=CCNC(=S)NC1C=CC=CC=1,750.0,4.0,2.0,0.0,192.28700000000003,10.0,0.0,C=CCNC(=S)NC1C=CC=CC=1,2.8750612633917,"Urea, 1-allyl-3-phenyl-2-thio-"
C=CCNC(N)=S,200.0,1.0,2.0,0.0,116.189,4.0,0.0,C=CCNC(N)=S,2.3010299956639813,Allylthiourea
C=CCNCC=C,493.0,1.0,2.0,0.0,97.161,6.0,0.0,C=CCNCC=C,2.69284691927723,Diallylamine
C=CCO,100.0,1.0,2.0,0.0,58.08,3.0,1.0,C=CCO,2.0,Allyl alcohol
C=CCOC(=O)C1=CC(=CC=C1)C(=O)OCC=C,500.0,4.0,2.0,0.0,246.26199999999992,14.0,4.0,C=CCOC(=O)C1=CC(=CC=C1)C(=O)OCC=C,2.6989700043360187,Diallyl isophthalate
C=CCOC(=O)C1=CC=C(C=C1C(=O)OCC=C)C(=O)OCC=C,2400.0,4.0,2.0,0.0,330.33600000000007,18.0,6.0,C=CCOC(=O)C1=CC=C(C=C1C(=O)OCC=C)C(=O)OCC=C,3.380211241711606,Triallyl trimellitate
C=CCOC(=O)C1C=CC=CC=1C(=O)OCC=C,892.0,4.0,2.0,0.0,246.26199999999992,14.0,4.0,C=CCOC(=O)C1C=CC=CC=1C(=O)OCC=C,2.950364854376123,Diallyl phthalate
C=CCOC(=O)C=CC(=O)OCC=C,300.0,4.0,2.0,0.0,196.2019999999999,10.0,4.0,C=CCOC(=O)C=CC(=O)OCC=C,2.4771212547196626,Diprop-2-en-1-yl (2Z)-but-2-enedioate
C=CCOC(=O)C=CC1C=CC=CC=1,1520.0,4.0,2.0,0.0,188.226,12.0,2.0,C=CCOC(=O)C=CC1C=CC=CC=1,3.1818435879447726,Allyl cinnamate
C=CCOC(=O)CC#N,160.0,1.0,2.0,0.0,125.127,6.0,2.0,C=CCOC(=O)CC#N,2.2041199826559246,"Acetic acid, cyano-, 2-propenyl ester"
C=CCOC(=O)CC1C=CC=CC=1,650.0,4.0,2.0,0.0,176.215,11.0,2.0,C=CCOC(=O)CC1C=CC=CC=1,2.8129133566428557,"Benzeneacetic acid, 2-propenyl ester"
C=CCOC(=O)CC1CCCCC1,900.0,4.0,2.0,0.0,182.26299999999995,11.0,2.0,C=CCOC(=O)CC1CCCCC1,2.9542425094393248,"Cyclohexaneacetic acid, 2-propenyl ester"
C=CCOC(=O)CCC1CCCCC1,585.0,4.0,2.0,0.0,196.2899999999999,12.0,2.0,C=CCOC(=O)CCC1CCCCC1,2.7671558660821804,Prop-2-en-1-yl 3-cyclohexylpropanoate
C=CCOC(=O)COC1C=CC=CC=1,835.0,4.0,2.0,0.0,192.21400000000003,11.0,3.0,C=CCOC(=O)COC1C=CC=CC=1,2.921686475483602,"Acetic acid, phenoxy-, 2-propenyl ester"
C=CCOC(=O)COC1CCCCC1,620.0,4.0,2.0,0.0,198.26199999999992,11.0,3.0,C=CCOC(=O)COC1CCCCC1,2.792391689498254,"Acetic acid, (cyclohexyloxy)-, 2-propenyl ester"
C=CCOC(=O)Cl,244.0,1.0,2.0,0.0,120.535,4.0,2.0,C=CCOC(=O)Cl,2.387389826338729,Allyl chloroformate
C=CCOC(=O)NC1C=CC(NCC2C=CC(F)=CC=2)=NC=1N,1030.0,4.0,3.0,0.0,316.336,16.0,2.0,C=CCOC(=O)NC1C=CC(NCC2C=CC(F)=CC=2)=NC=1N,3.012837224705172,D 19050
C=CCOC(=O)OCCOCCOC(=O)OCC=C,430.0,4.0,2.0,0.0,274.26899999999995,12.0,7.0,C=CCOC(=O)OCCOCCOC(=O)OCC=C,2.6334684555795866,"2,5,8,10-Tetraoxatridec-12-enoic acid, 9-oxo-, 2-propenyl ester"
C=CCOC(CN1C=NC=C1)C1C=CC(Cl)=CC=1Cl,263.0,4.0,2.0,0.0,297.18500000000006,14.0,1.0,C=CCOC(CN1C=NC=C1)C1C=CC(Cl)=CC=1Cl,2.419955748489758,Imazalil
C=CCOC1=CC=C(CC(O)=O)C=C1Cl,1050.0,4.0,2.0,0.0,226.659,11.0,3.0,C=CCOC1=CC=C(CC(O)=O)C=C1Cl,3.0211892990699383,Alclofenac
C=CCOC1=CC=CC=C1C(=O)NC1CCCCC1,1200.0,4.0,3.0,0.0,259.34899999999993,16.0,2.0,C=CCOC1=CC=CC=C1C(=O)NC1CCCCC1,3.0791812460476247,"Benzamide, o-allyloxy-N-cyclohexyl-"
C=CCOC1=NS(=O)(=O)C2=CC=CC=C21,2030.0,4.0,2.0,0.0,223.253,10.0,3.0,C=CCOC1=NS(=O)(=O)C2=CC=CC=C21,3.307496037913213,Probenazole
C=CCOC1C=CC(CC(O)=O)=CC=1Cl,1050.0,4.0,2.0,0.0,226.659,11.0,3.0,C=CCOC1C=CC(CC(O)=O)=CC=1Cl,3.0211892990699383,Alclofenac sodium
C=CCOC1N=C(N=C(N=1)OCC=C)OCC=C,756.0,4.0,1.0,0.0,249.27,12.0,3.0,C=CCOC1N=C(N=C(N=1)OCC=C)OCC=C,2.8785217955012063,"2,4,6-Tris(allyloxy)-1,3,5-triazine"
C=CCOC=O,124.0,1.0,2.0,0.0,86.08999999999999,4.0,2.0,C=CCOC=O,2.093421685162235,"Formic acid, 2-propenyl ester"
C=CCOCC(O)CS(O)(=O)=O,3500.0,3.0,1.0,0.0,196.224,6.0,5.0,C=CCOCC(O)CS(O)(=O)=O,3.5440680443502757,Sodium 3-(allyloxy)-2-hydroxypropanesulphonate
C=CCOCC1CO1,1373.0,1.0,2.0,0.0,114.144,6.0,2.0,C=CCOCC1CO1,3.137670537236755,Allyl glycidyl ether
C=CCOCC=C,320.0,1.0,2.0,0.0,98.145,6.0,1.0,C=CCOCC=C,2.505149978319906,"1-Propene, 3,3'-oxybis-"
C=CCOCCO,3050.0,1.0,2.0,0.0,102.133,5.0,2.0,C=CCOCCO,3.484299839346786,"Ethanol, 2-(2-propenyloxy)-"
C=CCOP(OCC=C)OCC=C,178.0,4.0,1.0,0.0,202.18999999999997,9.0,3.0,C=CCOP(OCC=C)OCC=C,2.250420002308894,"Phosphorous acid, tri-2-propenyl ester"
C=CCS(O)(=O)=O,3500.0,1.0,2.0,0.0,122.14499999999995,3.0,3.0,C=CCS(O)(=O)=O,3.5440680443502757,"2-Propene-1-sulfonic acid, sodium salt"
C=CCSCC=C,2980.0,1.0,2.0,0.0,114.21299999999998,6.0,0.0,C=CCSCC=C,3.4742162640762553,"1-Propene, 3,3'-thiobis-"
C=CCSSCC=C,260.0,2.0,2.0,0.0,146.28,6.0,0.0,C=CCSSCC=C,2.4149733479708178,Diallyl disulfide
C=CC[N+]12CC(=CCO)C3CC1C1(CC2)C2C3=CN3C4C(=CN2C2=CC=CC=C12)C1CC2C4(CC[N+]2(CC1=CCO)CC=C)C1=CC=CC=C31,27.6,1.0,0.0,2.0,666.9100000000002,44.0,2.0,C=CC[N+]12CC(=CCO)C3CC1C1(CC2)C2C3=CN3C4C(=CN2C2=CC=CC=C12)C1CC2C4(CC[N+]2(CC1=CCO)CC=C)C1=CC=CC=C31,1.4409090820652177,Alcuronium
C=CCl,500.0,1.0,2.0,0.0,62.498999999999995,2.0,0.0,C=CCl,2.6989700043360187,Vinyl chloride
C=CN1C=NC=C1,1040.0,1.0,2.0,0.0,94.117,5.0,0.0,C=CN1C=NC=C1,3.0170333392987803,"1H-Imidazole, 1-ethenyl-"
C=CN1CCCC1=O,4624.0,1.0,2.0,0.0,111.144,6.0,1.0,C=CN1CCCC1=O,3.665017825412473,Betadine
C=CN1CCCCCC1=O,1732.0,3.0,2.0,0.0,139.198,8.0,1.0,C=CN1CCCCCC1=O,3.2385478876813276,1-Ethenylazepan-2-one
C=CN1CCN(C=C)C1=O,6987.0,2.0,2.0,0.0,138.17,7.0,1.0,C=CN1CCN(C=C)C1=O,3.844290743254343,"2-Imidazolidinone, 1,3-diethenyl-"
C=COC(=O)C1C=CC=CC=1,3281.0,2.0,2.0,0.0,148.16099999999997,9.0,2.0,C=COC(=O)C1C=CC=CC=1,3.5160062303860475,Vinyl benzoate
C=COC(=O)CCCCC(=O)OC=C,6400.0,4.0,2.0,0.0,198.218,10.0,4.0,C=COC(=O)CCCCC(=O)OC=C,3.806179973983887,"Hexanedioic acid, diethenyl ester"
C=COC(=O)CCl,200.0,1.0,2.0,0.0,120.535,4.0,2.0,C=COC(=O)CCl,2.3010299956639813,"Acetic acid, 2-chloro-, ethenyl ester"
C=COC1CCCCC1,3200.0,2.0,2.0,0.0,126.199,8.0,1.0,C=COC1CCCCC1,3.505149978319906,"Cyclohexane, (ethenyloxy)-"
C=COC=O,2820.0,1.0,2.0,0.0,72.063,3.0,2.0,C=COC=O,3.450249108319361,"Formic acid, vinyl ester"
C=COCC1CCC(COC=C)CC1,6251.0,4.0,2.0,0.0,196.28999999999996,12.0,2.0,C=COCC1CCC(COC=C)CC1,3.7959494989028033,"1,4-Bis[(ethenyloxy)methyl]cyclohexane"
C=COCC=C,550.0,1.0,2.0,0.0,84.118,5.0,1.0,C=COCC=C,2.7403626894942437,"Ether, allyl vinyl"
C=COCCCCO,1738.0,2.0,2.0,0.0,116.16,6.0,2.0,C=COCCCCO,3.2400497721126476,4-(Ethenyloxy)butan-1-ol
C=COCCCCOC=C,3500.0,3.0,2.0,0.0,142.19799999999998,8.0,2.0,C=COCCCCOC=C,3.5440680443502757,"Butane, 1,4-bis(ethenyloxy)-"
C=COCCCN,1150.0,1.0,2.0,0.0,101.14900000000002,5.0,1.0,C=COCCCN,3.060697840353612,Aminopropylvinylether
C=COCCCl,230.0,1.0,2.0,0.0,106.552,4.0,1.0,C=COCCCl,2.361727836017593,2-Chloroethyl vinyl ether
C=COCCO,3910.0,1.0,2.0,0.0,88.106,4.0,2.0,C=COCCO,3.5921767573958667,Ethylene glycol monovinyl ether
C=COCCOCCO,4930.0,2.0,2.0,0.0,132.15900000000002,6.0,3.0,C=COCCOCCO,3.69284691927723,Diethylene glycol monovinyl ether
C=COCCOCCOC=C,3615.0,3.0,1.0,0.0,158.197,8.0,3.0,C=COCCOCCOC=C,3.5581083016305497,{2-[2-(Ethenyloxy)ethoxy]ethoxy}ethene
C=COCCOCCOCCOC=C,4251.0,4.0,1.0,0.0,202.24999999999997,10.0,4.0,C=COCCOCCOCCOC=C,3.628491104967123,"3,6,9,12-Tetraoxatetradeca-1,13-diene"
C=CP(=O)(OCCCl)OCCCl,990.0,4.0,2.0,0.0,233.03099999999995,6.0,3.0,C=CP(=O)(OCCCl)OCCCl,2.99563519459755,Bis(2-chloroethyl) vinylphosphonate
C=CS(=O)(=O)C=C,32.0,1.0,2.0,0.0,118.15699999999998,4.0,2.0,C=CS(=O)(=O)C=C,1.505149978319906,Divinyl sulfone
C=CS(=O)(=O)COCS(=O)(=O)C=C,50.0,4.0,2.0,0.0,226.275,6.0,5.0,C=CS(=O)(=O)COCS(=O)(=O)C=C,1.6989700043360187,Bis(vinylsulphonylmethyl) ether
C=CS(=O)(=O)CS(=O)(=O)C=C,60.0,3.0,2.0,0.0,196.24899999999997,5.0,4.0,C=CS(=O)(=O)CS(=O)(=O)C=C,1.7781512503836436,"Ethene, 1,1'-[methylenebis(sulfonyl)]bis-"
C=CS(O)(=O)=O,4375.0,1.0,2.0,0.0,108.11799999999998,2.0,3.0,C=CS(O)(=O)=O,3.640978057358332,Ethenesulfonic acid
C=C[Si](C=C)(C=C)C=C,5000.0,3.0,2.0,0.0,136.26999999999995,8.0,0.0,C=C[Si](C=C)(C=C)C=C,3.6989700043360187,"Silane, tetraethenyl-"
C=C[Si](Cl)(Cl)Cl,1076.0,1.0,2.0,0.0,161.491,2.0,0.0,C=C[Si](Cl)(Cl)Cl,3.0318122713303706,Trichloroethenylsilane
C=O,569.0,1.0,2.0,0.0,30.026,1.0,1.0,C=O,2.7551122663950713,Formaldehyde
C=S(=C)(Cl)C1C=CC=C2C(=O)C(C=CC=12)=[N+]=[N-],3200.0,4.0,3.0,0.0,264.737,12.0,1.0,C=S(=C)(Cl)C1C=CC=C2C(=O)C(C=CC=12)=[N+]=[N-],3.505149978319906,"6-Diazo-5,6-dihydro-5-oxonaphthalene-2-sulphonyl chloride"
CBr,118.0,1.0,2.0,0.0,94.939,1.0,0.0,CBr,2.0718820073061255,Methyl bromide
CC#N,3459.0,1.0,2.0,0.0,41.053,2.0,0.0,CC#N,3.5389505620143615,Acetonitrile
CC(=C)C#N,136.0,1.0,2.0,0.0,67.091,4.0,0.0,CC(=C)C#N,2.1335389083702174,Methacrylonitrile
CC(=C)C(=O)NC(C)C,2751.0,2.0,2.0,0.0,127.18699999999995,7.0,1.0,CC(=C)C(=O)NC(C)C,3.4394905903896835,N-Isopropylmethacrylamide
CC(=C)C(=O)NC1C=C(Cl)C(Cl)=CC=1,1800.0,4.0,1.0,0.0,230.09399999999997,10.0,1.0,CC(=C)C(=O)NC1C=C(Cl)C(Cl)=CC=1,3.255272505103306,Chloranocryl
CC(=C)C(=O)NCCCN(C)C,3334.0,4.0,1.0,0.0,170.25599999999997,9.0,1.0,CC(=C)C(=O)NCCCN(C)C,3.5229655954919865,N-[3-(Dimethylamino)propyl]methacrylamide
CC(=C)C(=O)NCCC[N+](C)(C)C,7515.0,4.0,1.0,0.0,185.29099999999997,10.0,1.0,CC(=C)C(=O)NCCC[N+](C)(C)C,3.875928984922927,"N,N,N-trimethyl-3-[(2-methylacryloyl)amino]propan-1-aminium"
CC(=C)C(=O)NCNC(=O)C(C)=C,3339.0,4.0,2.0,0.0,182.22299999999996,9.0,2.0,CC(=C)C(=O)NCNC(=O)C(C)=C,3.523616419054371,"2-Propenamide, N,N'-methylenebis[2-methyl-"
CC(=C)C(=O)NCO,929.0,1.0,2.0,0.0,115.13199999999998,5.0,2.0,CC(=C)C(=O)NCO,2.968015713993642,"2-Propenamide, N-(hydroxymethyl)-2-methyl-"
CC(=C)C(=O)OC,7872.0,1.0,2.0,0.0,100.11699999999998,5.0,2.0,CC(=C)C(=O)OC,3.896085085423285,Methyl methacrylate
CC(=C)C(=O)OC(C(F)(F)F)C(F)(F)F,3500.0,3.0,2.0,0.0,236.1109999999999,7.0,2.0,CC(=C)C(=O)OC(C(F)(F)F)C(F)(F)F,3.5440680443502757,"2-Propenoic acid, 2-methyl-, 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ester"
CC(=C)C(=O)OC(C)(C)C,3500.0,3.0,2.0,0.0,142.19799999999998,8.0,2.0,CC(=C)C(=O)OC(C)(C)C,3.5440680443502757,tert-Butyl methacrylate
CC(=C)C(=O)OC1C=CC=CC=1,500.0,4.0,2.0,0.0,162.188,10.0,2.0,CC(=C)C(=O)OC1C=CC=CC=1,2.6989700043360187,Phenyl methacrylate
CC(=C)C(=O)OC1CCCCC1,10001.0,4.0,2.0,0.0,168.23599999999993,10.0,2.0,CC(=C)C(=O)OC1CCCCC1,4.000043427276863,Cyclohexyl methacrylate
CC(=C)C(=O)OCC,10001.0,1.0,2.0,0.0,114.14399999999998,6.0,2.0,CC(=C)C(=O)OCC,4.000043427276863,Ethyl methacrylate
CC(=C)C(=O)OCC(C)C,9590.0,3.0,2.0,0.0,142.19799999999998,8.0,2.0,CC(=C)C(=O)OCC(C)C,3.9818186071706636,Isobutyl methacrylate
CC(=C)C(=O)OCC(CCCC)CC,3500.0,4.0,1.0,0.0,198.30599999999993,12.0,2.0,CC(=C)C(=O)OCC(CCCC)CC,3.5440680443502757,2-Ethylhexyl methacrylate
CC(=C)C(=O)OCC(O)CO,3500.0,2.0,2.0,0.0,160.16899999999998,7.0,4.0,CC(=C)C(=O)OCC(O)CO,3.5440680443502757,Glyceryl methacrylate
CC(=C)C(=O)OCC1C=CC=CC=1,4633.0,4.0,2.0,0.0,176.215,11.0,2.0,CC(=C)C(=O)OCC1C=CC=CC=1,3.6658623002031554,Benzyl methacrylate
CC(=C)C(=O)OCC1CCC2OC2C1,2500.0,4.0,2.0,0.0,196.24599999999995,11.0,3.0,CC(=C)C(=O)OCC1CCC2OC2C1,3.3979400086720375,7-oxabicyclo[4.1.0]hept-3-ylmethyl methacrylate
CC(=C)C(=O)OCC1CO1,465.0,2.0,2.0,0.0,142.15399999999997,7.0,3.0,CC(=C)C(=O)OCC1CO1,2.667452952889954,Glycidyl methacrylate
CC(=C)C(=O)OCC1COC(C)(C)O1,3500.0,4.0,2.0,0.0,200.23399999999995,10.0,4.0,CC(=C)C(=O)OCC1COC(C)(C)O1,3.5440680443502757,"2-Propenoic acid, 2-methyl-, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester"
CC(=C)C(=O)OCC=C,432.0,1.0,2.0,0.0,126.155,7.0,2.0,CC(=C)C(=O)OCC=C,2.635483746814912,Allyl methacrylate
CC(=C)C(=O)OCCC#N,7333.0,1.0,2.0,0.0,139.15399999999997,7.0,2.0,CC(=C)C(=O)OCCC#N,3.8652816849956104,"Methacrylic acid, ester with hydracryonitrile"
CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,3125.0,4.0,0.0,1.0,432.17599999999993,12.0,2.0,CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,3.494850021680094,Tridecafluorohexylethyl methacrylate
CC(=C)C(=O)OCCC1C=CC=CC=1,7500.0,4.0,2.0,0.0,190.242,12.0,2.0,CC(=C)C(=O)OCCC1C=CC=CC=1,3.8750612633917,2-Phenylethyl methacrylate
CC(=C)C(=O)OCCCC,10001.0,3.0,2.0,0.0,142.19799999999998,8.0,2.0,CC(=C)C(=O)OCCCC,4.000043427276863,Butyl methacrylate
CC(=C)C(=O)OCCCCCC,10001.0,4.0,1.0,0.0,170.25199999999995,10.0,2.0,CC(=C)C(=O)OCCCCCC,4.000043427276863,Hexyl methacrylate
CC(=C)C(=O)OCCCCCCCCCC,7500.0,4.0,0.0,0.0,226.3599999999999,14.0,2.0,CC(=C)C(=O)OCCCCCCCCCC,3.8750612633917,Decyl methacrylate
CC(=C)C(=O)OCCCCCCCCCCCC,8751.0,4.0,1.0,1.0,254.41399999999987,16.0,2.0,CC(=C)C(=O)OCCCCCCCCCCCC,3.942057683841395,Dodecyl 2-methylacrylate
CC(=C)C(=O)OCCCCCCCCCCCCCCCCCCCCCC,7500.0,2.0,0.0,1.0,394.68400000000025,26.0,2.0,CC(=C)C(=O)OCCCCCCCCCCCCCCCCCCCCCC,3.8750612633917,"2-Propenoic acid, 2-methyl-, docosyl ester"
CC(=C)C(=O)OCCCCCCOC(=O)C(C)=C,3500.0,4.0,2.0,0.0,254.3259999999999,14.0,4.0,CC(=C)C(=O)OCCCCCCOC(=O)C(C)=C,3.5440680443502757,"1,6-Hexanediol dimethacrylate"
CC(=C)C(=O)OCCCCOC(=O)C(C)=C,10001.0,4.0,1.0,0.0,226.2719999999999,12.0,4.0,CC(=C)C(=O)OCCCCOC(=O)C(C)=C,4.000043427276863,"Butane-1,4-diyl bis(2-methylprop-2-enoate)"
CC(=C)C(=O)OCCC[Si](OC)(OC)OC,10001.0,4.0,1.0,0.0,248.3509999999999,10.0,5.0,CC(=C)C(=O)OCCC[Si](OC)(OC)OC,4.000043427276863,3-(Trimethoxysilyl)propyl methacrylate
CC(=C)C(=O)OCCC[Si](OCC)(OCC)OCC,3500.0,4.0,2.0,0.0,290.432,13.0,5.0,CC(=C)C(=O)OCCC[Si](OCC)(OCC)OCC,3.5440680443502757,"2-Propenoic acid, 2-methyl-, 3-(triethoxysilyl)propyl ester"
CC(=C)C(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C,3500.0,4.0,0.0,0.0,422.8190000000002,16.0,5.0,CC(=C)C(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C,3.5440680443502757,"3-(3,3,3-Trimethyl-1,1-bis((trimethylsilyl)oxy)disiloxanyl)propyl methacrylate"
CC(=C)C(=O)OCCCl,200.0,1.0,2.0,0.0,148.589,6.0,2.0,CC(=C)C(=O)OCCCl,2.3010299956639813,2-Chloroethyl methacrylate
CC(=C)C(=O)OCCN(C)C,2147.0,3.0,2.0,0.0,157.213,8.0,2.0,CC(=C)C(=O)OCCN(C)C,3.331832044436249,2-(Dimethylamino)ethyl methacrylate hydrochloride
CC(=C)C(=O)OCCN(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,3500.0,4.0,1.0,0.0,425.269,11.0,4.0,CC(=C)C(=O)OCCN(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,3.5440680443502757,"2-Propenoic acid, 2-methyl-, 2-[methyl[(nonafluorobutyl)sulfonyl]amino]ethyl ester"
CC(=C)C(=O)OCCN(CC)CC,4696.0,4.0,1.0,0.0,185.26699999999997,10.0,2.0,CC(=C)C(=O)OCCN(CC)CC,3.671728088239558,2-(Diethylamino)ethyl methacrylate hydrochloride
CC(=C)C(=O)OCCN1CCNC1=O,7500.0,4.0,2.0,0.0,198.222,9.0,3.0,CC(=C)C(=O)OCCN1CCNC1=O,3.8750612633917,"2-Propenoic acid, 2-methyl-, 2-(2-oxo-1-imidazolidinyl)ethyl ester"
CC(=C)C(=O)OCCN1COCC1,763.0,4.0,2.0,0.0,185.22299999999996,9.0,3.0,CC(=C)C(=O)OCCN1COCC1,2.8825245379548803,2-(3-Oxazolidinyl)ethyl methacrylate
CC(=C)C(=O)OCCN=C=O,1466.0,2.0,2.0,0.0,155.153,7.0,3.0,CC(=C)C(=O)OCCN=C=O,3.166133970305109,2-Isocyanatoethyl methacrylate
CC(=C)C(=O)OCCNC(C)(C)C,1400.0,4.0,2.0,0.0,185.26699999999997,10.0,2.0,CC(=C)C(=O)OCCNC(C)(C)C,3.146128035678238,2-(tert-Butylamino)ethyl methacrylate hydrochloride
CC(=C)C(=O)OCCO,6844.0,1.0,2.0,0.0,130.143,6.0,3.0,CC(=C)C(=O)OCCO,3.835310000869063,2-Hydroxyethyl methacrylate
CC(=C)C(=O)OCCOC,2310.0,2.0,2.0,0.0,144.17,7.0,3.0,CC(=C)C(=O)OCCOC,3.3636119798921444,2-Methoxyethyl methacrylate
CC(=C)C(=O)OCCOC(=O)C(C)=C,5722.0,4.0,2.0,0.0,198.21799999999996,10.0,4.0,CC(=C)C(=O)OCCOC(=O)C(C)=C,3.757547853469244,Ethylene glycol dimethacrylate
CC(=C)C(=O)OCCOC(=O)CCC(O)=O,3500.0,4.0,1.0,0.0,230.21599999999995,10.0,6.0,CC(=C)C(=O)OCCOC(=O)CCC(O)=O,3.5440680443502757,CERAPP_37059
CC(=C)C(=O)OCCOC=C,5940.0,3.0,2.0,0.0,156.18099999999998,8.0,3.0,CC(=C)C(=O)OCCOC=C,3.7737864449811935,"2-Propenoic acid, 2-methyl-, 2-(ethenyloxy)ethyl ester"
CC(=C)C(=O)OCCOCC,2246.0,3.0,2.0,0.0,158.19699999999995,8.0,3.0,CC(=C)C(=O)OCCOCC,3.351409751925439,2-Ethoxyethyl methacrylate
CC(=C)C(=O)OCCOCCCC,2996.0,4.0,1.0,0.0,186.25099999999995,10.0,3.0,CC(=C)C(=O)OCCOCCCC,3.4765418090274287,2-Butoxyethyl methacrylate
CC(=C)C(=O)OCCOCCOCCCC,2751.0,4.0,1.0,0.0,230.30399999999992,12.0,4.0,CC(=C)C(=O)OCCOCCOCCCC,3.4394905903896835,2-(2-Butoxyethoxy)ethyl methacrylate
CC(=C)C(=O)OCCOCCOCCOC(=O)C(C)=C,10001.0,4.0,2.0,0.0,286.324,14.0,6.0,CC(=C)C(=O)OCCOCCOCCOC(=O)C(C)=C,4.000043427276863,Triethylene glycol dimethacrylate
CC(=C)C(=O)OCCOCCOCCOCC,3151.0,4.0,1.0,0.0,246.3029999999999,12.0,5.0,CC(=C)C(=O)OCCOCCOCCOCC,3.4984484031739997,CERAPP_40062
CC(=C)C(=O)OCCOCCOCCOCCOC(=O)C(C)=C,7500.0,4.0,2.0,0.0,330.37700000000007,16.0,7.0,CC(=C)C(=O)OCCOCCOCCOCCOC(=O)C(C)=C,3.8750612633917,Tetraethyleneglycol dimethacrylate
CC(=C)C(=O)OCCSCC,7400.0,4.0,2.0,0.0,174.26499999999996,8.0,2.0,CC(=C)C(=O)OCCSCC,3.8692317197309762,"2-Propenoic acid, 2-methyl-, 2-(ethylthio)ethyl ester"
CC(=C)C(=O)OCCSCCCC,5300.0,4.0,1.0,0.0,202.31899999999993,10.0,2.0,CC(=C)C(=O)OCCSCCCC,3.724275869600789,"Methacrylic acid, 2-(butylthio)ethyl ester"
CC(=C)C(=O)OCC[N+](C)(C)C,2751.0,4.0,1.0,0.0,172.248,9.0,2.0,CC(=C)C(=O)OCC[N+](C)(C)C,3.4394905903896835,(2-(Methacryloyloxy)ethyl)trimethylammonium chloride
CC(=C)C(=O)OCC[N+](C)(C)CC,3500.0,4.0,1.0,0.0,186.275,10.0,2.0,CC(=C)C(=O)OCC[N+](C)(C)CC,3.5440680443502757,"Ethanaminium, N-ethyl-N,N-dimethyl-2-[(2-methyl-1-oxo-2-propenyl)oxy]-, ethyl sulfate"
CC(=C)C(=O)O[Si](C(C)C)(C(C)C)C(C)C,3125.0,4.0,0.0,0.0,242.43499999999997,13.0,2.0,CC(=C)C(=O)O[Si](C(C)C)(C(C)C)C(C)C,3.494850021680094,Tri(propan-2-yl)silyl 2-methylprop-2-enoate
CC(=C)C(N)=O,1761.0,1.0,2.0,0.0,85.106,4.0,1.0,CC(=C)C(N)=O,3.245759355967277,"2-Propenamide, 2-methyl-, sulfate (1:1)"
CC(=C)C(O)=O,1481.0,1.0,2.0,0.0,86.08999999999997,4.0,2.0,CC(=C)C(O)=O,3.1705550585212086,Lithium methacrylate
CC(=C)C1=CC(=CC=C1)C(C)(C)N=C=O,3100.0,4.0,2.0,0.0,201.26899999999995,13.0,1.0,CC(=C)C1=CC(=CC=C1)C(C)(C)N=C=O,3.4913616938342726,1-(2-Isocyanatopropan-2-yl)-3-(prop-1-en-2-yl)benzene
CC(=C)C1C=C(C=CC=1)C(C)=C,6251.0,3.0,1.0,0.0,158.24399999999994,12.0,0.0,CC(=C)C1C=C(C=CC=1)C(C)=C,3.7959494989028033,"1,3-Diisopropenylbenzene"
CC(=C)C1C=CC=CC=1,4900.0,2.0,2.0,0.0,118.17899999999996,9.0,0.0,CC(=C)C1C=CC=CC=1,3.690196080028514,alpha-Methylstyrene
CC(=C)C1CC(=O)C(C)CC1,7500.0,3.0,2.0,0.0,152.23699999999997,10.0,1.0,CC(=C)C1CC(=O)C(C)CC1,3.8750612633917,CERAPP_31855
CC(=C)C1CC2C3OC4COC5C=C(OC)C(=CC=5C4C(=O)C=3C=CC=2O1)OC,38.0,4.0,1.0,0.0,394.4230000000001,23.0,6.0,CC(=C)C1CC2C3OC4COC5C=C(OC)C(=CC=5C4C(=O)C=3C=CC=2O1)OC,1.5797835966168101,Rotenone
CC(=C)C1CCC(CO)=CC1,2100.0,3.0,2.0,0.0,152.23699999999997,10.0,1.0,CC(=C)C1CCC(CO)=CC1,3.322219294733919,4-Isopropenylcyclohex-1-en-1-ylmethanol
CC(=C)C=C,2127.0,1.0,2.0,0.0,68.119,5.0,0.0,CC(=C)C=C,3.327767489902729,Isoprene
CC(=C)C=O,140.0,1.0,2.0,0.0,70.091,4.0,1.0,CC(=C)C=O,2.146128035678238,Methacrylaldehyde
CC(=C)CC(C)OC(=O)C(C)C,7500.0,4.0,1.0,0.0,170.25199999999998,10.0,2.0,CC(=C)CC(C)OC(=O)C(C)C,3.8750612633917,4-Methylpent-4-en-2-yl 2-methylpropanoate
CC(=C)CCCC(C)CCOC(=O)CC,7500.0,4.0,0.0,0.0,212.3329999999999,13.0,2.0,CC(=C)CCCC(C)CCOC(=O)CC,3.8750612633917,
CC(=C)CCCC(C)CCOC(=O)CC1C=CC=CC=1,7500.0,4.0,1.0,0.0,274.40399999999994,18.0,2.0,CC(=C)CCCC(C)CCOC(=O)CC1C=CC=CC=1,3.8750612633917,"Benzeneacetic acid, (3S)-3,7-dimethyl-7-octen-1-yl ester"
CC(=C)CCO,5440.0,1.0,2.0,0.0,86.13399999999999,5.0,1.0,CC(=C)CCO,3.73559889969818,3-Methylbut-3-en-1-ol
CC(=C)CCl,848.0,1.0,2.0,0.0,90.553,4.0,0.0,CC(=C)CCl,2.9283958522567137,3-Chloro-2-methylpropene
CC(=C)CN(CC)C1C(=CC(=CC=1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O,8750.0,4.0,1.0,0.0,333.266,13.0,4.0,CC(=C)CN(CC)C1C(=CC(=CC=1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O,3.942008053022313,Ethalfluralin
CC(=C)CNC1C=CC(=CC=1)C(C)C(O)=O,550.0,4.0,2.0,0.0,219.28399999999996,13.0,2.0,CC(=C)CNC1C=CC(=CC=1)C(C)C(O)=O,2.7403626894942437,
CC(=CC(=O)OC(C)C)OP(=S)(NCC)OC,68.7,4.0,2.0,0.0,281.314,10.0,4.0,CC(=CC(=O)OC(C)C)OP(=S)(NCC)OC,1.8369567370595505,Propetamphos
CC(=CC(=O)OC(C)C1C=CC=CC=1)OP(=O)(OC)OC,38.4,4.0,1.0,0.0,314.274,14.0,6.0,CC(=CC(=O)OC(C)C1C=CC=CC=1)OP(=O)(OC)OC,1.5843312243675307,Crotoxyphos
CC(=CC(=O)OCC1C=CC(Cl)=CC=1)OP(=O)(OC)OC,139.0,4.0,1.0,0.0,334.692,13.0,6.0,CC(=CC(=O)OCC1C=CC(Cl)=CC=1)OP(=O)(OC)OC,2.143014800254095,
CC(=CC(C)C)C(C)OC(C)(C)COC(=O)C1CC1,3500.0,4.0,1.0,0.0,268.397,16.0,3.0,CC(=CC(C)C)C(C)OC(C)(C)COC(=O)C1CC1,3.5440680443502757,"Cyclopropanecarboxylic acid, 2-methyl-2-[(1,2,4-trimethyl-2-penten-1-yl)oxy]propyl ester"
CC(=CC(C)CC(C)CC(C)C)C1CC(=O)OC1=O,2550.0,4.0,1.0,0.0,266.381,16.0,3.0,CC(=CC(C)CC(C)CC(C)C)C1CC(=O)OC1=O,3.406540180433955,"Dihydro-3-(tetrapropenyl)- 2,5-furandione"
CC(=CC(O)=O)C=CC=C(C)C=CC1=C(C)C(C)=C(C=C1C)OC,4000.0,4.0,1.0,1.0,326.4360000000001,21.0,3.0,CC(=CC(O)=O)C=CC=C(C)C=CC1=C(C)C(C)=C(C=C1C)OC,3.6020599913279625,Acitretin
CC(=CC)C(=O)OC(C)C,7500.0,3.0,2.0,0.0,142.19799999999998,8.0,2.0,CC(=CC)C(=O)OC(C)C,3.8750612633917,"2-Butenoic acid, 2-methyl-, 1-methylethyl ester, (2E)-"
CC(=CC)C(=O)OCCC1C=CC=CC=1,7500.0,4.0,2.0,0.0,204.269,13.0,2.0,CC(=CC)C(=O)OCCC1C=CC=CC=1,3.8750612633917,Phenethyl tiglate
CC(=CC)C(=O)OCCC=CCC,7500.0,4.0,1.0,0.0,182.263,11.0,2.0,CC(=CC)C(=O)OCCC=CCC,3.8750612633917,(3Z)-Hex-3-en-1-yl (2E)-2-methylbut-2-enoate
CC(=CC1=CC=CO1)C=O,1400.0,1.0,2.0,0.0,136.14999999999998,8.0,2.0,CC(=CC1=CC=CO1)C=O,3.146128035678238,"2-Propenal, 3-(2-furanyl)-2-methyl-"
CC(=CC1C(C)=CCCC1(C)C)C(C)=O,7500.0,4.0,1.0,0.0,206.32899999999995,14.0,1.0,CC(=CC1C(C)=CCCC1(C)C)C(C)=O,3.8750612633917,alpha-Isomethylionone
CC(=CC1C=CC=CC=1)C(C)=O,4100.0,4.0,2.0,0.0,160.21599999999998,11.0,1.0,CC(=CC1C=CC=CC=1)C(C)=O,3.6127838567197355,"3-Buten-2-one, 3-methyl-4-phenyl-"
CC(=CC1C=CC=CC=1)C=C1SC(=S)N(CC(O)=O)C1=O,5300.0,4.0,3.0,0.0,319.40700000000004,15.0,3.0,CC(=CC1C=CC=CC=1)C=C1SC(=S)N(CC(O)=O)C1=O,3.724275869600789,Epalrestat
CC(=CC1C=CC=CC=1)C=O,2050.0,3.0,2.0,0.0,146.189,10.0,1.0,CC(=CC1C=CC=CC=1)C=O,3.311753861055754,alpha-Methyl cinnamaldehyde
CC(=COP(=S)(OC)OC)C(=O)OC,678.0,4.0,1.0,0.0,240.217,7.0,5.0,CC(=COP(=S)(OC)OC)C(=O)OC,2.8312296938670634,Methacrifos
CC(=N)CC(=O)OC,1760.0,1.0,2.0,0.0,115.132,5.0,2.0,CC(=N)CC(=O)OC,3.24551266781415,Methyl 3-aminobut-2-enoate
CC(=N)NP(=S)(OC1C=CC(Cl)=CC=1)OC1C=CC(Cl)=CC=1,3.7,4.0,1.0,1.0,375.2170000000001,14.0,2.0,CC(=N)NP(=S)(OC1C=CC(Cl)=CC=1)OC1C=CC(Cl)=CC=1,0.568201724066995,Phosacetim
CC(=NC#N)N(C)CC1=CN=C(Cl)C=C1,181.5,4.0,2.0,0.0,222.67900000000003,10.0,0.0,CC(=NC#N)N(C)CC1=CN=C(Cl)C=C1,2.258876629372131,Acetamiprid
CC(=NC1=C(I)C=C(I)C(=C1I)C(=O)NCC(C)C(O)=O)N1CCOCC1,10001.0,3.0,2.0,1.0,711.0759999999999,17.0,4.0,CC(=NC1=C(I)C=C(I)C(=C1I)C(=O)NCC(C)C(O)=O)N1CCOCC1,4.000043427276863,
CC(=NOC(=O)N(C)SN(C)C(=O)OCC)SC,226.0,4.0,2.0,0.0,295.386,9.0,4.0,CC(=NOC(=O)N(C)SN(C)C(=O)OCC)SC,2.3541084391474008,N-(N-ME-ETHOXYCARBAMYLTHIO)METHOMYL
CC(=NOC(=O)NC)C(C)S(C)(=O)=O,458.0,4.0,2.0,0.0,222.266,7.0,4.0,CC(=NOC(=O)NC)C(C)S(C)(=O)=O,2.660865478003869,Butoxycarboxim
CC(=NOC(=O)NC)C(C)SC,153.0,4.0,2.0,0.0,190.268,7.0,2.0,CC(=NOC(=O)NC)C(C)SC,2.184691430817599,Butocarboxim
CC(=NOC(=O)NC)SC,31.0,4.0,2.0,0.0,162.214,5.0,2.0,CC(=NOC(=O)NC)SC,1.4913616938342726,Methomyl
CC(=NOC(=O)OCC)C(=O)C1C=CC=CC=1,3500.0,4.0,2.0,0.0,235.239,12.0,4.0,CC(=NOC(=O)OCC)C(=O)C1C=CC=CC=1,3.5440680443502757,"1,2-Propanedione, 1-phenyl-, 2-[O-(ethoxycarbonyl)oxime]"
CC(=NOCC1C=CC=CC=1C(=NOC)C(=O)OC)C1=CC(=CC=C1)C(F)(F)F,7500.0,4.0,0.0,0.0,408.376,20.0,4.0,CC(=NOCC1C=CC=CC=1C(=NOC)C(=O)OC)C1=CC(=CC=C1)C(F)(F)F,3.8750612633917,Trifloxystrobin
CC(=O)C(=O)CC,3000.0,1.0,2.0,0.0,100.117,5.0,2.0,CC(=O)C(=O)CC,3.4771212547196626,"2,3-Pentanedione"
CC(=O)C(=O)CC(C)C,7500.0,2.0,2.0,0.0,128.17099999999996,7.0,2.0,CC(=O)C(=O)CC(C)C,3.8750612633917,"5-Methyl-2,3-hexanedione"
CC(=O)C(=O)CCC,7500.0,1.0,2.0,0.0,114.14399999999998,6.0,2.0,CC(=O)C(=O)CCC,3.8750612633917,"2,3-Hexanedione"
CC(=O)C(=O)OCC,7500.0,1.0,2.0,0.0,116.116,5.0,3.0,CC(=O)C(=O)OCC,3.8750612633917,"Propanoic acid, 2-oxo-, ethyl ester"
CC(=O)C(C)(C)C,610.0,1.0,2.0,0.0,100.161,6.0,1.0,CC(=O)C(C)(C)C,2.785329835010767,"3,3-Dimethyl-2-butanone"
CC(=O)C(C)=C,180.0,1.0,2.0,0.0,84.11799999999998,5.0,1.0,CC(=O)C(C)=C,2.255272505103306,3-Methylbut-3-en-2-one
CC(=O)C(C)=O,2645.0,1.0,2.0,0.0,86.08999999999999,4.0,2.0,CC(=O)C(C)=O,3.4224256763712044,"2,3-Butanedione"
CC(=O)C(CC(=O)OC)C(=O)OC,2751.0,4.0,2.0,0.0,188.17899999999997,8.0,5.0,CC(=O)C(CC(=O)OC)C(=O)OC,3.4394905903896835,Dimethyl acetylsuccinate
CC(=O)C(CC(=O)OCC)C(=O)OCC,3500.0,4.0,1.0,0.0,216.23299999999995,10.0,5.0,CC(=O)C(CC(=O)OCC)C(=O)OCC,3.5440680443502757,CERAPP_55808
CC(=O)C(CCCCCC)C(=O)OCC,7500.0,4.0,1.0,0.0,214.30499999999995,12.0,3.0,CC(=O)C(CCCCCC)C(=O)OCC,3.8750612633917,Ethyl 2-acetyloctanoate
CC(=O)C(Cl)C(=O)N(C)C,480.0,3.0,2.0,0.0,163.60399999999998,6.0,2.0,CC(=O)C(Cl)C(=O)N(C)C,2.681241237375587,"2-Chloro-N,N-dimethyl-3-oxobutanamide"
CC(=O)C(Cl)C(=O)NC,700.0,1.0,2.0,0.0,149.577,5.0,2.0,CC(=O)C(Cl)C(=O)NC,2.845098040014257,"Butanamide, 2-chloro-N-methyl-3-oxo-"
CC(=O)C(Cl)C(=O)OC(C)C1C=CC=CC=1,880.0,4.0,2.0,0.0,240.686,12.0,3.0,CC(=O)C(Cl)C(=O)OC(C)C1C=CC=CC=1,2.9444826721501687,"Butanoic acid, 2-chloro-3-oxo-, 1-phenylethyl ester"
CC(=O)C(Cl)C(=O)OCC,360.0,2.0,2.0,0.0,164.588,6.0,3.0,CC(=O)C(Cl)C(=O)OCC,2.5563025007672873,Ethyl 2-chloroacetoacetate
CC(=O)C(N=NC1=CC(=CC=C1C(=O)OC)C(=O)OC)C(=O)NC1=CC2NC(=O)NC=2C=C1,10001.0,4.0,1.0,0.0,453.4110000000001,21.0,7.0,CC(=O)C(N=NC1=CC(=CC=C1C(=O)OC)C(=O)OC)C(=O)NC1=CC2NC(=O)NC=2C=C1,4.000043427276863,CERAPP_39540
CC(=O)C(N=NC1=CC(=CC=C1C(=O)OC)C(=O)OC)C(=O)NC1C=CC(=CC=1)NC(=O)C(N=NC1=CC(=CC=C1C(=O)OC)C(=O)OC)C(C)=O,3500.0,1.0,0.0,3.0,716.6600000000001,34.0,12.0,CC(=O)C(N=NC1=CC(=CC=C1C(=O)OC)C(=O)OC)C(=O)NC1C=CC(=CC=1)NC(=O)C(N=NC1=CC(=CC=C1C(=O)OC)C(=O)OC)C(C)=O,3.5440680443502757,CERAPP_44325
CC(=O)C(N=NC1=CC(=CC=C1Cl)C(=O)NC1=CC=CC(Cl)=C1C)C(=O)NC1=CC(Cl)=C(C=C1C)NC(=O)C(N=NC1=CC(=CC=C1Cl)C(=O)NC1=CC=CC(Cl)=C1C)C(C)=O,9750.0,0.0,0.0,2.0,937.068,43.0,6.0,CC(=O)C(N=NC1=CC(=CC=C1Cl)C(=O)NC1=CC=CC(Cl)=C1C)C(=O)NC1=CC(Cl)=C(C=C1C)NC(=O)C(N=NC1=CC(=CC=C1Cl)C(=O)NC1=CC=CC(Cl)=C1C)C(C)=O,3.989004615698537,CERAPP_31892
CC(=O)C(N=NC1=CC(Cl)=C(Cl)C=C1)C(=O)NC,3500.0,4.0,3.0,0.0,288.13400000000007,11.0,2.0,CC(=O)C(N=NC1=CC(Cl)=C(Cl)C=C1)C(=O)NC,3.5440680443502757,
CC(=O)C(N=NC1=CC(OC)=C(C=C1OC)S(=O)(=O)NC1C=CC=CC=1)C(=O)NC1=CC(OC)=C(Cl)C=C1OC,10001.0,2.0,0.0,1.0,591.0420000000001,26.0,8.0,CC(=O)C(N=NC1=CC(OC)=C(C=C1OC)S(=O)(=O)NC1C=CC=CC=1)C(=O)NC1=CC(OC)=C(Cl)C=C1OC,4.000043427276863,C.I. Pigment Yellow 97
CC(=O)C(N=NC1=CC=C(C=C1Cl)C1=CC(Cl)=C(C=C1)N=NC(C(=O)NC1=CC(OC)=C(Cl)C=C1OC)C(C)=O)C(=O)NC1C=C(OC)C(Cl)=CC=1OC,3364.0,0.0,0.0,4.0,818.4979999999999,36.0,8.0,CC(=O)C(N=NC1=CC=C(C=C1Cl)C1=CC(Cl)=C(C=C1)N=NC(C(=O)NC1=CC(OC)=C(Cl)C=C1OC)C(C)=O)C(=O)NC1C=C(OC)C(Cl)=CC=1OC,3.5268559871258747,C.I. Pigment Yellow 83
CC(=O)C(N=NC1=CC=C(C=C1Cl)C1=CC(Cl)=C(C=C1)N=NC(C(=O)NC1=CC=CC=C1OC)C(C)=O)C(=O)NC1=CC=CC=C1OC,3475.0,0.0,0.0,2.0,689.556,34.0,6.0,CC(=O)C(N=NC1=CC=C(C=C1Cl)C1=CC(Cl)=C(C=C1)N=NC(C(=O)NC1=CC=CC=C1OC)C(C)=O)C(=O)NC1=CC=CC=C1OC,3.540954808926133,"Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[N-(2-methoxyphenyl)-3-oxo-"
CC(=O)C(N=NC1=CC=C(C=C1Cl)C1=CC(Cl)=C(C=C1)N=NC(C(=O)NC1C=CC(=CC=1)OC)C(C)=O)C(=O)NC1C=CC(=CC=1)OC,2228.0,0.0,0.0,2.0,689.5560000000003,34.0,6.0,CC(=O)C(N=NC1=CC=C(C=C1Cl)C1=CC(Cl)=C(C=C1)N=NC(C(=O)NC1C=CC(=CC=1)OC)C(C)=O)C(=O)NC1C=CC(=CC=1)OC,3.3479151865016914,CERAPP_39068
CC(=O)C(N=NC1=CC=C(C=C1Cl)C1=CC(Cl)=C(C=C1)N=NC(C(=O)NC1C=CC(C)=CC=1)C(C)=O)C(=O)NC1C=CC(C)=CC=1,3587.5,0.0,0.0,2.0,657.5580000000001,34.0,4.0,CC(=O)C(N=NC1=CC=C(C=C1Cl)C1=CC(Cl)=C(C=C1)N=NC(C(=O)NC1C=CC(C)=CC=1)C(C)=O)C(=O)NC1C=CC(C)=CC=1,3.5547919097420486,CERAPP_32361
CC(=O)C(N=NC1=CC=C(C=C1Cl)C1C=C(Cl)C(=CC=1)N=NC(C(=O)NC1C=CC(=CC=1)OCC)C(C)=O)C(=O)NC1C=CC(=CC=1)OCC,3475.0,0.0,0.0,2.0,717.6100000000002,36.0,6.0,CC(=O)C(N=NC1=CC=C(C=C1Cl)C1C=C(Cl)C(=CC=1)N=NC(C(=O)NC1C=CC(=CC=1)OCC)C(C)=O)C(=O)NC1C=CC(=CC=1)OCC,3.540954808926133,"Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[N-(4-ethoxyphenyl)-3-oxo-"
CC(=O)C(N=NC1=CC=C(C=C1OC)C1=CC(OC)=C(C=C1)N=NC(C(=O)NC1C=CC=CC=1)C(C)=O)C(=O)NC1C=CC=CC=1,3500.0,0.0,0.0,2.0,620.6660000000002,34.0,6.0,CC(=O)C(N=NC1=CC=C(C=C1OC)C1=CC(OC)=C(C=C1)N=NC(C(=O)NC1C=CC=CC=1)C(C)=O)C(=O)NC1C=CC=CC=1,3.5440680443502757,CERAPP_32582
CC(=O)C(N=NC1=CC=C(C=C1OC)[N+]([O-])=O)C(=O)NC1=CC(Cl)=CC=C1OC,2751.0,4.0,0.0,0.0,420.8090000000001,18.0,6.0,CC(=O)C(N=NC1=CC=C(C=C1OC)[N+]([O-])=O)C(=O)NC1=CC(Cl)=CC=C1OC,3.4394905903896835,"Butanamide, N-(5-chloro-2-methoxyphenyl)-2-[2-(2-methoxy-4-nitrophenyl)diazenyl]-3-oxo-"
CC(=O)C(N=NC1=CC=C(C=C1OC)[N+]([O-])=O)C(=O)NC1=CC=CC=C1OC,10001.0,4.0,1.0,0.0,386.3640000000001,18.0,6.0,CC(=O)C(N=NC1=CC=C(C=C1OC)[N+]([O-])=O)C(=O)NC1=CC=CC=C1OC,4.000043427276863,C.I. Pigment Yellow 74
CC(=O)C(N=NC1=CC=C(Cl)C=C1[N+]([O-])=O)C(=O)NC1=CC=CC=C1Cl,8285.0,4.0,1.0,0.0,395.202,16.0,4.0,CC(=O)C(N=NC1=CC=C(Cl)C=C1[N+]([O-])=O)C(=O)NC1=CC=CC=C1Cl,3.9182925127553556,CERAPP_32561
CC(=O)C(N=NC1=CC=C(Cl)C=C1[N+]([O-])=O)C(=O)NC1=CC=CC=C1OC,6251.0,4.0,0.0,0.0,390.7830000000002,17.0,5.0,CC(=O)C(N=NC1=CC=C(Cl)C=C1[N+]([O-])=O)C(=O)NC1=CC=CC=C1OC,3.7959494989028033,C.I. Pigment Yellow 73
CC(=O)C(N=NC1=CC=C(Cl)C=C1[N+]([O-])=O)C(=O)NC1C=C2NC(=O)NC2=CC=1,10001.0,4.0,2.0,0.0,416.78100000000006,17.0,5.0,CC(=O)C(N=NC1=CC=C(Cl)C=C1[N+]([O-])=O)C(=O)NC1C=C2NC(=O)NC2=CC=1,4.000043427276863,C.I. Pigment Orange 36
CC(=O)C(N=NC1=CC=CC=C1C(F)(F)F)C(=O)NC1=CC2NC(=O)NC=2C=C1,10001.0,4.0,1.0,0.0,405.33600000000007,18.0,3.0,CC(=O)C(N=NC1=CC=CC=C1C(F)(F)F)C(=O)NC1=CC2NC(=O)NC=2C=C1,4.000043427276863,CERAPP_43831
CC(=O)C(N=NC1=CC=CC=C1C(O)=O)C(=O)NC1=CC2NC(=O)NC=2C=C1,10001.0,4.0,2.0,0.0,381.34800000000007,18.0,5.0,CC(=O)C(N=NC1=CC=CC=C1C(O)=O)C(=O)NC1=CC2NC(=O)NC=2C=C1,4.000043427276863,CERAPP_39074
CC(=O)C(N=NC1=CC=CC=C1OC)C(=O)NC1=CC2NC(=O)NC=2C=C1,2751.0,4.0,1.0,0.0,367.36500000000007,18.0,4.0,CC(=O)C(N=NC1=CC=CC=C1OC)C(=O)NC1=CC2NC(=O)NC=2C=C1,3.4394905903896835,CERAPP_46599
CC(=O)C(N=NC1C=C(C=C(C=1)C(=O)OC)C(=O)OC)C(=O)NC1=CC2NC(=O)NC=2C=C1,10001.0,4.0,1.0,0.0,453.41100000000023,21.0,7.0,CC(=O)C(N=NC1C=C(C=C(C=1)C(=O)OC)C(=O)OC)C(=O)NC1=CC2NC(=O)NC=2C=C1,4.000043427276863,CERAPP_38805
CC(=O)C(N=NC1C=C(C=CC=1Cl)C(=O)NC1=CC(=CC=C1OC1C=CC(Cl)=CC=1)C(F)(F)F)C(=O)NC1=CC(C)=C(C=C1Cl)NC(=O)C(N=NC1C=C(C=CC=1Cl)C(=O)NC1=CC(=CC=C1OC1C=CC(Cl)=CC=1)C(F)(F)F)C(C)=O,7625.0,0.0,0.0,4.0,1229.2019999999995,55.0,8.0,CC(=O)C(N=NC1C=C(C=CC=1Cl)C(=O)NC1=CC(=CC=C1OC1C=CC(Cl)=CC=1)C(F)(F)F)C(=O)NC1=CC(C)=C(C=C1Cl)NC(=O)C(N=NC1C=C(C=CC=1Cl)C(=O)NC1=CC(=CC=C1OC1C=CC(Cl)=CC=1)C(F)(F)F)C(C)=O,3.8822398480188234,"Benzamide, 3,3'-[(2-chloro-5-methyl-1,4-phenylene)bis[imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl]]bis[4-chloro-N-[2-(4-chlorophenoxy)-5-(trifluoromethyl)phenyl]-"
CC(=O)C(N=NC1C=C(Cl)C(=CC=1Cl)C1C=C(Cl)C(=CC=1Cl)N=NC(C(=O)NC1=CC=C(C)C=C1C)C(C)=O)C(=O)NC1=CC=C(C)C=C1C,3475.0,0.0,0.0,2.0,754.5020000000001,36.0,4.0,CC(=O)C(N=NC1C=C(Cl)C(=CC=1Cl)C1C=C(Cl)C(=CC=1Cl)N=NC(C(=O)NC1=CC=C(C)C=C1C)C(C)=O)C(=O)NC1=CC=C(C)C=C1C,3.540954808926133,CERAPP_37218
CC(=O)C(N=NC1C=CC(=CC=1)C(=O)NC1C=CC(=CC=1)C(N)=O)C(=O)NC1=CC2NC(=O)NC=2C=C1,6251.0,2.0,1.0,0.0,499.48700000000014,25.0,5.0,CC(=O)C(N=NC1C=CC(=CC=1)C(=O)NC1C=CC(=CC=1)C(N)=O)C(=O)NC1=CC2NC(=O)NC=2C=C1,3.7959494989028033,C.I. Pigment Yellow 181
CC(=O)C(N=NC1C=CC(=CC=1)[N+]([O-])=O)C(=O)NC1=CC2NC(=O)NC=2C=C1,10001.0,4.0,2.0,0.0,382.33600000000007,17.0,5.0,CC(=O)C(N=NC1C=CC(=CC=1)[N+]([O-])=O)C(=O)NC1=CC2NC(=O)NC=2C=C1,4.000043427276863,CERAPP_40952
CC(=O)C(N=NC1C=CC(=CC=1Cl)C1=CC(Cl)=C(C=C1)N=NC(C(=O)NC1C=CC(C)=CC=1C)C(C)=O)C(=O)NC1C=CC(C)=CC=1C,3364.0,0.0,0.0,2.0,685.6120000000001,36.0,4.0,CC(=O)C(N=NC1C=CC(=CC=1Cl)C1=CC(Cl)=C(C=C1)N=NC(C(=O)NC1C=CC(C)=CC=1C)C(C)=O)C(=O)NC1C=CC(C)=CC=1C,3.5268559871258747,C.I. Pigment Yellow 13
CC(=O)C(N=NC1C=CC(=CC=1Cl)C1=CC(Cl)=C(C=C1)N=NC(C(=O)NC1C=CC=CC=1)C(C)=O)C(=O)NC1C=CC=CC=1,3504.0,1.0,0.0,2.0,629.5040000000001,32.0,4.0,CC(=O)C(N=NC1C=CC(=CC=1Cl)C1=CC(Cl)=C(C=C1)N=NC(C(=O)NC1C=CC=CC=1)C(C)=O)C(=O)NC1C=CC=CC=1,3.544564097496043,C.I. Pigment Yellow 12
CC(=O)C(N=NC1C=CC(=CC=1Cl)C1=CC(Cl)=C(C=C1)N=NC(C(=O)NC1C=CC=CC=1C)C(C)=O)C(=O)NC1C=CC=CC=1C,4238.0,0.0,0.0,2.0,657.5580000000001,34.0,4.0,CC(=O)C(N=NC1C=CC(=CC=1Cl)C1=CC(Cl)=C(C=C1)N=NC(C(=O)NC1C=CC=CC=1C)C(C)=O)C(=O)NC1C=CC=CC=1C,3.627160952374776,"Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(2-methylphenyl)-3-oxo-"
CC(=O)C(N=NC1C=CC(=CC=1[N+]([O-])=O)OC)C(=O)NC,3500.0,4.0,2.0,0.0,294.26700000000005,12.0,5.0,CC(=O)C(N=NC1C=CC(=CC=1[N+]([O-])=O)OC)C(=O)NC,3.5440680443502757,
CC(=O)C(N=NC1C=CC(=CC=1[N+]([O-])=O)OC)C(=O)NC1C=CC=CC=1OC,2751.0,4.0,1.0,0.0,386.36400000000015,18.0,6.0,CC(=O)C(N=NC1C=CC(=CC=1[N+]([O-])=O)OC)C(=O)NC1C=CC=CC=1OC,3.4394905903896835,Pigment Yellow 65
CC(=O)C(N=NC1C=CC(C)=CC=1[N+]([O-])=O)C(=O)NC1C=CC=CC=1,10001.0,4.0,1.0,0.0,340.339,17.0,4.0,CC(=O)C(N=NC1C=CC(C)=CC=1[N+]([O-])=O)C(=O)NC1C=CC=CC=1,4.000043427276863,C.I. Pigment Yellow 1
CC(=O)C(N=NC1C=CC=CC=1)C(=O)NC,3500.0,4.0,2.0,0.0,219.244,11.0,2.0,CC(=O)C(N=NC1C=CC=CC=1)C(=O)NC,3.5440680443502757,
CC(=O)C(N=NC1C=CC=CC=1Cl)C(=O)NC,3500.0,4.0,3.0,0.0,253.689,11.0,2.0,CC(=O)C(N=NC1C=CC=CC=1Cl)C(=O)NC,3.5440680443502757,
CC(=O)C(N=NC1C=CC=CC=1OCCOC1=CC(=CC=C1)N=NC(C(=O)NC1=CC2NC(=O)NC=2C=C1)C(C)=O)C(=O)NC1=CC2NC(=O)NC=2C=C1,6251.0,1.0,0.0,3.0,732.714,36.0,8.0,CC(=O)C(N=NC1C=CC=CC=1OCCOC1=CC(=CC=C1)N=NC(C(=O)NC1=CC2NC(=O)NC=2C=C1)C(C)=O)C(=O)NC1=CC2NC(=O)NC=2C=C1,3.7959494989028033,C.I. Pigment Yellow 180
CC(=O)C/N=C(O)/OC1C=C(C=CC=1)C(C)(C)C,1000.0,4.0,2.0,0.0,249.30999999999997,14.0,3.0,CC(=O)C/N=C(O)/OC1C=C(C=CC=1)C(C)(C)C,3.0,
CC(=O)C1(CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C)OC(=O)CC,7200.0,4.0,0.0,0.0,400.5150000000001,24.0,5.0,CC(=O)C1(CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C)OC(=O)CC,3.8573324964312685,
CC(=O)C1(Cl)CC1,400.0,1.0,2.0,0.0,118.563,5.0,1.0,CC(=O)C1(Cl)CC1,2.6020599913279625,"Ethanone, 1-(1-chlorocyclopropyl)-"
CC(=O)C1(O)CC2C(C(C1)OC1CC(N)C(O)C(C)O1)=C(O)C1=C(C(=O)C3=CC=CC(OC)=C3C1=O)C=2O,336.0,2.0,1.0,3.0,527.5260000000003,27.0,10.0,CC(=O)C1(O)CC2C(C(C1)OC1CC(N)C(O)C(C)O1)=C(O)C1=C(C(=O)C3=CC=CC(OC)=C3C1=O)C=2O,2.526339277389844,Daunorubicin
CC(=O)C1(O)CC2C(C(C1)OC1CC(N)C(O)C(C)O1)=C(O)C1=C(C(=O)C3C=CC=C(OC)C=3C1=O)C=2O,290.0,2.0,1.0,3.0,527.5260000000003,27.0,10.0,CC(=O)C1(O)CC2C(C(C1)OC1CC(N)C(O)C(C)O1)=C(O)C1=C(C(=O)C3C=CC=C(OC)C=3C1=O)C=2O,2.462397997898956,Daunomycin hydrochloride
CC(=O)C1(O)CC2C(C(C1)OC1CC(N)C(O)C(C)O1)=C(O)C1=C(C(=O)C3C=CC=CC=3C1=O)C=2O,5.43,3.0,1.0,0.0,497.5000000000002,26.0,9.0,CC(=O)C1(O)CC2C(C(C1)OC1CC(N)C(O)C(C)O1)=C(O)C1=C(C(=O)C3C=CC=CC=3C1=O)C=2O,0.7347998295888469,Idarubicin
CC(=O)C1(O)CCC2C3C=C(Cl)C4=CC(=O)CCC4(C)C3CCC12C,10000.0,4.0,1.0,0.0,362.89700000000016,21.0,3.0,CC(=O)C1(O)CCC2C3C=C(Cl)C4=CC(=O)CCC4(C)C3CCC12C,4.0,Chlormadinone
CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3=CCC12C,2751.0,4.0,2.0,0.0,328.45200000000006,21.0,3.0,CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3=CCC12C,3.4394905903896835,"17-Hydroxypregna-4,9(11)-diene-3,20-dione"
CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,3500.0,4.0,2.0,0.0,330.4680000000001,21.0,3.0,CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,3.5440680443502757,17alpha-Hydroxyprogesterone
CC(=O)C1=CC(=C(C(=C1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O,750.0,4.0,2.0,0.0,309.322,14.0,5.0,CC(=O)C1=CC(=C(C(=C1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O,2.8750612633917,"Ethanone, 1-[4-(dipropylamino)-3,5-dinitrophenyl]-"
CC(=O)C1=CC(=CC=C1)OC,1150.0,3.0,2.0,0.0,150.177,9.0,2.0,CC(=O)C1=CC(=CC=C1)OC,3.060697840353612,3-Methoxyacetophenone
CC(=O)C1=CC(OC)=C(C=C1)OCCCCN1CCN(CC1)C1C=CC=CC=1,573.0,4.0,0.0,0.0,382.5040000000001,23.0,3.0,CC(=O)C1=CC(OC)=C(C=C1)OCCCCN1CCN(CC1)C1C=CC=CC=1,2.75815462196739,Su 14542
CC(=O)C1=CC2=C(C=C1)SC1=CC=CC=C1N2CCCN1CCC(CCO)CC1,390.0,4.0,0.0,0.0,410.5830000000001,24.0,2.0,CC(=O)C1=CC2=C(C=C1)SC1=CC=CC=C1N2CCCN1CCC(CCO)CC1,2.591064607026499,Piperacetazine
CC(=O)C1=CC2=C(C=C1CC)C(C)(C)CCC2(C)C,260.0,4.0,1.0,0.0,258.4049999999999,18.0,1.0,CC(=O)C1=CC2=C(C=C1CC)C(C)(C)CCC2(C)C,2.4149733479708178,Acetylethyltetramethyltetralin
CC(=O)C1=CC2=CC=CC=C2O1,3500.0,4.0,2.0,0.0,160.17199999999997,10.0,2.0,CC(=O)C1=CC2=CC=CC=C2O1,3.5440680443502757,"Ethanone, 1-(2-benzofuranyl)-"
CC(=O)C1=CC2OC(=O)N(C)C=2C=C1,3500.0,4.0,2.0,0.0,191.18599999999995,10.0,3.0,CC(=O)C1=CC2OC(=O)N(C)C=2C=C1,3.5440680443502757,"2(3H)-Benzoxazolone, 6-acetyl-3-methyl-"
CC(=O)C1=CC2OC(C)C(=O)N(C)C=2C=C1,3500.0,4.0,2.0,0.0,219.23999999999995,12.0,3.0,CC(=O)C1=CC2OC(C)C(=O)N(C)C=2C=C1,3.5440680443502757,
CC(=O)C1=CC=C(C=C1)OC,1720.0,3.0,2.0,0.0,150.177,9.0,2.0,CC(=O)C1=CC=C(C=C1)OC,3.2355284469075487,4'-Methoxyacetophenone
CC(=O)C1=CC=C(CC(C)C)C=C1,3500.0,4.0,2.0,0.0,176.259,12.0,1.0,CC(=O)C1=CC=C(CC(C)C)C=C1,3.5440680443502757,"Ethanone, 1-[4-(2-methylpropyl)phenyl]-"
CC(=O)C1=CC=C(Cl)S1,25.0,1.0,2.0,0.0,160.625,6.0,1.0,CC(=O)C1=CC=C(Cl)S1,1.3979400086720377,"Ketone, 5-chloro-2-thienyl methyl"
CC(=O)C1=CC=CC2=CC=CC=C21,1560.0,4.0,2.0,0.0,170.21099999999998,12.0,1.0,CC(=O)C1=CC=CC2=CC=CC=C21,3.1931245983544616,1'-Acetonaphthone
CC(=O)C1=CC=CC=C1O,2233.0,1.0,2.0,0.0,136.14999999999998,8.0,2.0,CC(=O)C1=CC=CC=C1O,3.348888723071438,2-Hydroxyacetophenone
CC(=O)C1=CC=CC=C1[N+]([O-])=O,1600.0,3.0,2.0,0.0,165.14799999999994,8.0,3.0,CC(=O)C1=CC=CC=C1[N+]([O-])=O,3.2041199826559246,2-Nitroacetophenone
CC(=O)C1=CC=CC=N1,2280.0,1.0,2.0,0.0,121.13899999999995,7.0,1.0,CC(=O)C1=CC=CC=N1,3.357934847000454,2-Acetylpyridine
CC(=O)C1C(=O)C=C(C)OC1=O,807.0,3.0,2.0,0.0,168.14799999999997,8.0,4.0,CC(=O)C1C(=O)C=C(C)OC1=O,2.90687353472207,Dehydroacetic acid
CC(=O)C1C(C)=C(C(=C(C=1C)[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O,8750.0,4.0,2.0,0.0,294.307,14.0,5.0,CC(=O)C1C(C)=C(C(=C(C=1C)[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O,3.942008053022313,Musk ketone
CC(=O)C1C=C(C(N)=O)C(O)=CC=1,1700.0,4.0,2.0,0.0,179.17499999999995,9.0,3.0,CC(=O)C1C=C(C(N)=O)C(O)=CC=1,3.230448921378274,5-Acetylsalicylamide
CC(=O)C1C=C(C=C(C=1)OCC1C=CC=CC=1)OCC1C=CC=CC=1,7500.0,4.0,1.0,1.0,332.399,22.0,3.0,CC(=O)C1C=C(C=C(C=1)OCC1C=CC=CC=1)OCC1C=CC=CC=1,3.8750612633917,"Ethanone, 1-[3,5-bis(phenylmethoxy)phenyl]-"
CC(=O)C1C=C(C=CC=1)C(F)(F)F,3500.0,4.0,2.0,0.0,188.1479999999999,9.0,1.0,CC(=O)C1C=C(C=CC=1)C(F)(F)F,3.5440680443502757,"Ethanone, 1-[3-(trifluoromethyl)phenyl]-"
CC(=O)C1C=C(C=CC=1)OC1C=CC=CC=1,4160.0,4.0,1.0,0.0,212.248,14.0,2.0,CC(=O)C1C=C(C=CC=1)OC1C=CC=CC=1,3.6190933306267428,"Ethanone, 1-(3-phenoxyphenyl)-"
CC(=O)C1C=C(C=CC=1)[N+]([O-])=O,3250.0,3.0,2.0,0.0,165.14799999999997,8.0,3.0,CC(=O)C1C=C(C=CC=1)[N+]([O-])=O,3.5118833609788744,3-Nitroacetophenone
CC(=O)C1C=C(C=CC=1OCC(O)CNC(C)(C)C)NC(=O)N(CC)CC,2157.0,4.0,1.0,0.0,379.5010000000002,20.0,4.0,CC(=O)C1C=C(C=CC=1OCC(O)CNC(C)(C)C)NC(=O)N(CC)CC,3.333850145102545,Celiprolol
CC(=O)C1C=C(C=CC=1OCC(O)CNC(C)C)NC(=O)CCC,4700.0,4.0,2.0,0.0,336.4320000000001,18.0,4.0,CC(=O)C1C=C(C=CC=1OCC(O)CNC(C)C)NC(=O)CCC,3.6720978579357175,Acebutolol hydrochloride
CC(=O)C1C=C(N)C=CC=1,1870.0,2.0,2.0,0.0,135.166,8.0,1.0,CC(=O)C1C=C(N)C=CC=1,3.271841606536499,3-Aminoacetophenone
CC(=O)C1C=C(NC2N=C(N=C(NC3=CC(=C(N)C4=C3C(=O)C3=CC=CC=C3C4=O)C(C)=O)N=2)C2C=CC=CC=2)C2=C(C(=O)C3=CC=CC=C3C2=O)C=1N,8000.0,0.0,0.0,4.0,713.71,41.0,6.0,CC(=O)C1C=C(NC2N=C(N=C(NC3=CC(=C(N)C4=C3C(=O)C3=CC=CC=C3C4=O)C(C)=O)N=2)C2C=CC=CC=2)C2=C(C(=O)C3=CC=CC=C3C2=O)C=1N,3.9030899869919438,"9,10-Anthracenedione, 1,1'-[(6-phenyl-1,3,5-triazine-2,4-diyl)diimino]bis[3-acetyl-4-amino-"
CC(=O)C1C=CC(=CC=1)S(=O)(=O)NC(=O)NC1CCCCC1,3500.0,4.0,3.0,0.0,324.4020000000001,15.0,4.0,CC(=O)C1C=CC(=CC=1)S(=O)(=O)NC(=O)NC1CCCCC1,3.5440680443502757,Acetohexamide
CC(=O)C1C=CC(=CC=1I)OC1C(I)=CC(=CC=1I)C(O)=O,4600.0,3.0,1.0,2.0,633.9450000000002,15.0,4.0,CC(=O)C1C=CC(=CC=1I)OC1C(I)=CC(=CC=1I)C(O)=O,3.662757831681574,"Benzoic acid, 4-(4-acetyl-3-iodophenoxy)-3,5-diiodo-"
CC(=O)C1C=CC(N)=CC=1,381.0,2.0,2.0,0.0,135.166,8.0,1.0,CC(=O)C1C=CC(N)=CC=1,2.5809249756756194,4-Aminoacetophenone
CC(=O)C1C=CC(O)=CC=1,2240.0,1.0,2.0,0.0,136.14999999999998,8.0,2.0,CC(=O)C1C=CC(O)=CC=1,3.3502480183341627,4-Hydroxyacetophenone
CC(=O)C1C=CC(O)=CC=1O,2830.0,1.0,2.0,0.0,152.14899999999997,8.0,3.0,CC(=O)C1C=CC(O)=CC=1O,3.45178643552429,"Ethanone, 1-(2,4-dihydroxyphenyl)-"
CC(=O)C1C=CC(OCCCCC2NN=NN=2)=C(CCC)C=1O,650.0,4.0,2.0,0.0,318.3770000000001,16.0,3.0,CC(=O)C1C=CC(OCCCCC2NN=NN=2)=C(CCC)C=1O,2.8129133566428557,Tomelukast
CC(=O)C1C=CC=CC=1,1846.0,1.0,2.0,0.0,120.15099999999995,8.0,1.0,CC(=O)C1C=CC=CC=1,3.266231696689893,Acetophenone
CC(=O)C1C=CC=CC=1Cl,1820.0,2.0,2.0,0.0,154.59599999999995,8.0,1.0,CC(=O)C1C=CC=CC=1Cl,3.2600713879850747,"Ethanone, 1-(2-chlorophenyl)-"
CC(=O)C1CC1,2375.0,1.0,2.0,0.0,84.11800000000001,5.0,1.0,CC(=O)C1CC1,3.3756636139608855,Cyclopropyl methyl ketone
CC(=O)C1CCC2C3C=CC4=CC(=O)CCC4(C)C3CCC21C,4600.0,4.0,2.0,0.0,312.4530000000001,21.0,2.0,CC(=O)C1CCC2C3C=CC4=CC(=O)CCC4(C)C3CCC21C,3.662757831681574,Dydrogesterone
CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC21C,3500.0,4.0,2.0,0.0,316.48500000000007,21.0,2.0,CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC21C,3.5440680443502757,Pregnenolone
CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC21C,297.0,4.0,2.0,0.0,332.4840000000001,21.0,3.0,CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC21C,2.4727564493172123,Alphaxalone
CC(=O)C1CCOC1=O,5640.0,1.0,2.0,0.0,128.127,6.0,3.0,CC(=O)C1CCOC1=O,3.751279103983342,3-Acetyldihydro-2(3H)-furanone
CC(=O)C=C,23.1,1.0,2.0,0.0,70.091,4.0,1.0,CC(=O)C=C,1.3636119798921444,Methyl vinyl ketone
CC(=O)C=CC1=CC=C(C=C1)OC,7500.0,4.0,2.0,0.0,176.21499999999995,11.0,2.0,CC(=O)C=CC1=CC=C(C=C1)OC,3.8750612633917,"3-Buten-2-one, 4-(4-methoxyphenyl)-"
CC(=O)C=CC1C=C2OCOC2=CC=1,4000.0,4.0,2.0,0.0,190.19799999999995,11.0,3.0,CC(=O)C=CC1C=C2OCOC2=CC=1,3.6020599913279625,Piperonal acetone
CC(=O)C=CC1C=CC=CC=1,2031.0,3.0,2.0,0.0,146.189,10.0,1.0,CC(=O)C=CC1C=CC=CC=1,3.307709923404807,Methyl styryl ketone
CC(=O)C=O,1380.0,1.0,2.0,0.0,72.063,3.0,2.0,CC(=O)C=O,3.1398790864012365,Methyl glyoxal
CC(=O)CC(=O)N(C)C,7500.0,2.0,2.0,0.0,129.159,6.0,2.0,CC(=O)CC(=O)N(C)C,3.8750612633917,"N,N-Dimethylacetoacetamide"
CC(=O)CC(=O)N(CC)CC,4880.0,3.0,2.0,0.0,157.213,8.0,2.0,CC(=O)CC(=O)N(CC)CC,3.6884198220027105,"N,N-diethyl-3-oxobutyramide"
CC(=O)CC(=O)NC1=CC(Cl)=CC=C1OC,2751.0,4.0,2.0,0.0,241.674,11.0,3.0,CC(=O)CC(=O)NC1=CC(Cl)=CC=C1OC,3.4394905903896835,"Butanamide, N-(5-chloro-2-methoxyphenyl)-3-oxo-"
CC(=O)CC(=O)NC1=CC2NC(=O)NC=2C=C1,10001.0,4.0,2.0,0.0,233.227,11.0,3.0,CC(=O)CC(=O)NC1=CC2NC(=O)NC=2C=C1,4.000043427276863,"3-Oxo-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)butanamide"
CC(=O)CC(=O)NC1=CC=C(C)C=C1C,3047.0,4.0,2.0,0.0,205.257,12.0,2.0,CC(=O)CC(=O)NC1=CC=C(C)C=C1C,3.4838724542226736,"N-(2,4-Dimethylphenyl)-3-oxobutanamide"
CC(=O)CC(=O)NC1C=C(C)C(=CC=1Cl)NC(=O)CC(C)=O,6251.0,4.0,2.0,0.0,324.76400000000007,15.0,4.0,CC(=O)CC(=O)NC1C=C(C)C(=CC=1Cl)NC(=O)CC(C)=O,3.7959494989028033,"N,N'-(2-Chloro-5-methyl-1,4-phenylene)bis(3-oxobutyramide)"
CC(=O)CC(=O)NC1C=C(C)C(=CC=1OC)S(O)(=O)=O,6251.0,4.0,2.0,0.0,301.3200000000001,12.0,6.0,CC(=O)CC(=O)NC1C=C(C)C(=CC=1OC)S(O)(=O)=O,3.7959494989028033,"Benzenesulfonic acid, 4-[(1,3-dioxobutyl)amino]-5-methoxy-2-methyl-, monoammonium salt"
CC(=O)CC(=O)NC1C=C(OC)C(Cl)=CC=1OC,996.0,4.0,2.0,0.0,271.7,12.0,4.0,CC(=O)CC(=O)NC1C=C(OC)C(Cl)=CC=1OC,2.998259338423699,"N-(4-Chloro-2,5-dimethoxyphenyl)-3-oxobutanamide"
CC(=O)CC(=O)NC1C=CC(=CC=1)NC(=O)CC(C)=O,5500.0,4.0,2.0,0.0,276.292,14.0,4.0,CC(=O)CC(=O)NC1C=CC(=CC=1)NC(=O)CC(C)=O,3.7403626894942437,"Butanamide, N,N'-1,4-phenylenebis[3-oxo-"
CC(=O)CC(=O)NC1C=CC(=CC=1)OC,1847.0,4.0,2.0,0.0,207.229,11.0,3.0,CC(=O)CC(=O)NC1C=CC(=CC=1)OC,3.2664668954402414,N-(4-Methoxyphenyl)-3-oxobutanamide
CC(=O)CC(=O)NC1C=CC(=CC=1)OCC,176.0,4.0,2.0,0.0,221.25599999999997,12.0,3.0,CC(=O)CC(=O)NC1C=CC(=CC=1)OCC,2.24551266781415,N-(4-Ethoxyphenyl)-3-oxobutanamide
CC(=O)CC(=O)NC1C=CC(=CC=1)S(O)(=O)=O,5125.5,4.0,3.0,0.0,257.267,10.0,5.0,CC(=O)CC(=O)NC1C=CC(=CC=1)S(O)(=O)=O,3.709736237854444,4-[(3-Oxobutanoyl)amino]benzenesulfonic acid
CC(=O)CC(=O)NC1C=CC(Cl)=CC=1C,3500.0,4.0,2.0,0.0,225.675,11.0,2.0,CC(=O)CC(=O)NC1C=CC(Cl)=CC=1C,3.5440680443502757,N-(4-Chloro-2-methylphenyl)-3-oxobutanamide
CC(=O)CC(=O)NC1C=CC=CC=1,2907.75,4.0,2.0,0.0,177.203,10.0,2.0,CC(=O)CC(=O)NC1C=CC=CC=1,3.46355706439891,Acetoacetanilide
CC(=O)CC(=O)NC1C=CC=CC=1C,1825.0,4.0,2.0,0.0,191.23,11.0,2.0,CC(=O)CC(=O)NC1C=CC=CC=1C,3.2612628687924934,N-(2-Methylphenyl)-3-oxobutanamide
CC(=O)CC(=O)NC1C=CC=CC=1Cl,4760.0,4.0,2.0,0.0,211.648,10.0,2.0,CC(=O)CC(=O)NC1C=CC=CC=1Cl,3.677606952720493,N-(2-Chlorophenyl)-3-oxobutanamide
CC(=O)CC(=O)NC1C=CC=CC=1OC,1636.0,4.0,2.0,0.0,207.22899999999996,11.0,3.0,CC(=O)CC(=O)NC1C=CC=CC=1OC,3.2137832993353044,N-(2-Methoxyphenyl)-3-oxobutanamide
CC(=O)CC(=O)OC,3019.0,1.0,2.0,0.0,116.116,5.0,3.0,CC(=O)CC(=O)OC,3.479863113023098,Methyl acetoacetate
CC(=O)CC(=O)OC(C)(C)C,4480.0,3.0,2.0,0.0,158.19699999999995,8.0,3.0,CC(=O)CC(=O)OC(C)(C)C,3.651278013998144,tert-Butyl 3-oxobutanoate
CC(=O)CC(=O)OC(C)C,10001.0,2.0,2.0,0.0,144.16999999999996,7.0,3.0,CC(=O)CC(=O)OC(C)C,4.000043427276863,"Butanoic acid, 3-oxo-, 1-methylethyl ester"
CC(=O)CC(=O)OC(C)C1C=CC=CC=1,5450.0,4.0,2.0,0.0,206.241,12.0,3.0,CC(=O)CC(=O)OC(C)C1C=CC=CC=1,3.7363965022766426,"Butanoic acid, 3-oxo-, 1-phenylethyl ester"
CC(=O)CC(=O)OC1CC(C)CCC1C(C)C,7500.0,4.0,1.0,0.0,240.34299999999996,14.0,3.0,CC(=O)CC(=O)OC1CC(C)CCC1C(C)C,3.8750612633917,
CC(=O)CC(=O)OCC,9283.0,1.0,2.0,0.0,130.143,6.0,3.0,CC(=O)CC(=O)OCC,3.9676883504533125,Ethyl acetoacetate
CC(=O)CC(=O)OCCCC,10001.0,3.0,2.0,0.0,158.19699999999995,8.0,3.0,CC(=O)CC(=O)OCCCC,4.000043427276863,"Butanoic acid, 3-oxo-, butyl ester"
CC(=O)CC(=O)OCCOC(=O)C(C)=C,6251.0,4.0,1.0,0.0,214.21699999999996,10.0,5.0,CC(=O)CC(=O)OCCOC(=O)C(C)=C,3.7959494989028033,2-[Methacryloyloxy]ethyl acetoacetate
CC(=O)CC(=O)OCCOC(=O)CC(C)=O,6251.0,4.0,1.0,0.0,230.21599999999995,10.0,6.0,CC(=O)CC(=O)OCCOC(=O)CC(C)=O,3.7959494989028033,Ethylene glycol diacetoacetate
CC(=O)CC(C)(C)C1C=CC=CC=1,3500.0,4.0,2.0,0.0,176.259,12.0,1.0,CC(=O)CC(C)(C)C1C=CC=CC=1,3.5440680443502757,"2-Pentanone, 4-methyl-4-phenyl-"
CC(=O)CC(C)(C)C1CCCCC1,3500.0,4.0,1.0,0.0,182.30699999999993,12.0,1.0,CC(=O)CC(C)(C)C1CCCCC1,3.5440680443502757,4-Cyclohexyl-4-methyl-pentan-2-one
CC(=O)CC(C)(C)NC(=O)C=C,1634.75,4.0,2.0,0.0,169.224,9.0,2.0,CC(=O)CC(C)(C)NC(=O)C=C,3.2134513460348018,Diacetone acrylamide
CC(=O)CC(C)(C)O,3251.0,2.0,2.0,0.0,116.15999999999998,6.0,2.0,CC(=O)CC(C)(C)O,3.5120169694961265,Diacetone alcohol
CC(=O)CC(C)=O,662.0,1.0,2.0,0.0,100.117,5.0,2.0,CC(=O)CC(C)=O,2.8208579894397,"2,4-Pentanedione"
CC(=O)CC(C1C(=O)C2=CC=CC=C2OC1=O)C1C=CC=CC=1,6.85,4.0,3.0,0.0,308.333,19.0,4.0,CC(=O)CC(C1C(=O)C2=CC=CC=C2OC1=O)C1C=CC=CC=1,0.8356905714924255,Warfarin
CC(=O)CC(C1C(=O)OC2=CC=CC=C2C1=O)C1C=CC(=CC=1)[N+]([O-])=O,513.0,4.0,2.0,0.0,353.33000000000004,19.0,6.0,CC(=O)CC(C1C(=O)OC2=CC=CC=C2C1=O)C1C=CC(=CC=1)[N+]([O-])=O,2.7101173651118162,Acenocoumarol
CC(=O)CC(C1C(=O)OC2C=CC=CC=2C1=O)C1=CC=CO1,25.0,4.0,3.0,0.0,298.29400000000004,17.0,5.0,CC(=O)CC(C1C(=O)OC2C=CC=CC=2C1=O)C1=CC=CO1,1.3979400086720377,Coumafuryl
CC(=O)CC(C1C(=O)OC2C=CC=CC=2C1=O)C1C=CC(Cl)=CC=1,455.0,4.0,2.0,0.0,342.7780000000001,19.0,4.0,CC(=O)CC(C1C(=O)OC2C=CC=CC=2C1=O)C1C=CC(Cl)=CC=1,2.6580113966571126,Coumachlor
CC(=O)CC(C1C(=O)OC2C=CC=CC=2C1=O)C1C=CC=CC=1,58.0,4.0,3.0,0.0,308.333,19.0,4.0,CC(=O)CC(C1C(=O)OC2C=CC=CC=2C1=O)C1C=CC=CC=1,1.7634279935629373,Potassium warfarin
CC(=O)CC(N)=O,3750.0,0.0,2.0,0.0,101.105,4.0,2.0,CC(=O)CC(N)=O,3.574031267727719,3-Oxobutanamide
CC(=O)CC(OC)OC,6200.0,2.0,2.0,0.0,132.159,6.0,3.0,CC(=O)CC(OC)OC,3.792391689498254,"4,4-Dimethoxybutanone"
CC(=O)CC1=CC=C(C=C1)OC,3330.0,4.0,2.0,0.0,164.204,10.0,2.0,CC(=O)CC1=CC=C(C=C1)OC,3.5224442335063197,"2-Propanone, 1-(4-methoxyphenyl)-"
CC(=O)CC1CCC(=O)C1CCCCC,7500.0,4.0,1.0,0.0,210.31699999999995,13.0,2.0,CC(=O)CC1CCC(=O)C1CCCCC,3.8750612633917,CERAPP_40195
CC(=O)CCC(=O)OCC,7500.0,2.0,2.0,0.0,144.17,7.0,3.0,CC(=O)CCC(=O)OCC,3.8750612633917,Ethyl levulinate
CC(=O)CCC(=O)OCCCC,7500.0,4.0,1.0,0.0,172.22399999999996,9.0,3.0,CC(=O)CCC(=O)OCCCC,3.8750612633917,Butyl 4-oxopentanoate
CC(=O)CCC(C)=O,2076.0,1.0,2.0,0.0,114.144,6.0,2.0,CC(=O)CCC(C)=O,3.31722734917642,"2,5-Hexanedione"
CC(=O)CCC(O)=O,1850.0,1.0,2.0,0.0,116.116,5.0,3.0,CC(=O)CCC(O)=O,3.2671717284030137,Sodium levulinate
CC(=O)CCC1=C(OC(=O)C2C=CC=CC=2)N(C2C=CC=CC=2)N(C2C=CC=CC=2)C1=O,2319.0,4.0,0.0,0.0,426.47200000000015,26.0,4.0,CC(=O)CCC1=C(OC(=O)C2C=CC=CC=2)N(C2C=CC=CC=2)N(C2C=CC=CC=2)C1=O,3.3653007486379876,"3-Pyrazolin-5-one, 1,2-diphenyl-3-hydroxy-4-(3-oxobutyl)-, benzoate (ester)"
CC(=O)CCC1=CC=C(C=C1)OC,6251.0,4.0,2.0,0.0,178.231,11.0,2.0,CC(=O)CCC1=CC=C(C=C1)OC,3.7959494989028033,4-(4-Methoxyphenyl)-2-butanone
CC(=O)CCC1C(=O)N(C2C=CC=CC=2)N(C2C=CC=CC=2)C1=O,720.0,4.0,3.0,0.0,322.3640000000001,19.0,3.0,CC(=O)CCC1C(=O)N(C2C=CC=CC=2)N(C2C=CC=CC=2)C1=O,2.8573324964312685,Kebuzone
CC(=O)CCC1C=C(OC)C(O)=CC=1,2580.0,4.0,2.0,0.0,194.23,11.0,3.0,CC(=O)CCC1C=C(OC)C(O)=CC=1,3.41161970596323,4-(4-Hydroxy-3-methoxyphenyl)-2-butanone
CC(=O)CCC1C=C2C=CC(=CC2=CC=1)OC,3880.0,4.0,2.0,0.0,228.29099999999997,15.0,2.0,CC(=O)CCC1C=C2C=CC(=CC2=CC=1)OC,3.5888317255942073,Nabumetone
CC(=O)CCC1C=CC(=CC=1)C1C=CC=CC=1,1030.0,4.0,1.0,0.0,224.30300000000005,16.0,1.0,CC(=O)CCC1C=CC(=CC=1)C1C=CC=CC=1,3.012837224705172,"2-Butanone, 4-(1,1'-biphenyl)-4-yl)-"
CC(=O)CCC1C=CC(=CC=1)OC(C)=O,3038.0,4.0,2.0,0.0,206.241,12.0,3.0,CC(=O)CCC1C=CC(=CC=1)OC(C)=O,3.4825877695267677,4-(4-(Acetyloxy)phenyl)-2-butanone
CC(=O)CCC1C=CC(O)=CC=1,1320.0,4.0,2.0,0.0,164.204,10.0,2.0,CC(=O)CCC1C=CC(O)=CC=1,3.12057393120585,4-(4-Hydroxyphenyl)butan-2-one
CC(=O)CCC1C=CC=CC=1,3200.0,3.0,2.0,0.0,148.20499999999998,10.0,1.0,CC(=O)CCC1C=CC=CC=1,3.505149978319906,Benzylacetone
CC(=O)CCCCCCCC(O)=O,3100.0,4.0,1.0,0.0,186.251,10.0,3.0,CC(=O)CCCCCCCC(O)=O,3.4913616938342726,"Decanoic acid, 9-oxo-"
CC(=O)CCCCCl,3500.0,1.0,2.0,0.0,134.606,6.0,1.0,CC(=O)CCCCCl,3.5440680443502757,6-Chlorohexan-2-one
CC(=O)CCCCN1C(=O)N(C)C2N=CN(C)C=2C1=O,1170.0,4.0,2.0,0.0,278.31200000000007,13.0,3.0,CC(=O)CCCCN1C(=O)N(C)C2N=CN(C)C=2C1=O,3.0681858617461617,Pentoxifylline
CC(=O)CCCO,6400.0,1.0,2.0,0.0,102.133,5.0,2.0,CC(=O)CCCO,3.806179973983887,Acetopropyl alcohol
CC(=O)CCO,2505.0,1.0,2.0,0.0,88.106,4.0,2.0,CC(=O)CCO,3.3988077302032647,"2-Butanone, 4-hydroxy-"
CC(=O)CCl,113.5,1.0,2.0,0.0,92.525,3.0,1.0,CC(=O)CCl,2.0549958615291417,1-Chloropropan-2-one
CC(=O)CO,2200.0,0.0,2.0,0.0,74.079,3.0,2.0,CC(=O)CO,3.342422680822206,Hydroxyacetone
CC(=O)Cl,910.0,1.0,2.0,0.0,78.498,2.0,1.0,CC(=O)Cl,2.9590413923210934,Acetyl chloride
CC(=O)N(/C(/NC#N)=N/C1=CN=CC=C1)C(C)(C)C,615.0,4.0,3.0,0.0,259.31300000000005,13.0,1.0,CC(=O)N(/C(/NC#N)=N/C1=CN=CC=C1)C(C)(C)C,2.788875115775417,"Acetamide, N-tert-butyl-N-(1-cyano-2-(3-pyridyl)amidino)-, hydrate"
CC(=O)N(C)C,4368.0,1.0,2.0,0.0,87.122,4.0,1.0,CC(=O)N(C)C,3.640282629696681,"N,N-Dimethylacetamide"
CC(=O)N(C)C(=O)OC1C=CC=C2OC(C)(CC)OC=12,94.0,4.0,3.0,0.0,279.292,14.0,5.0,CC(=O)N(C)C(=O)OC1C=CC=C2OC(C)(CC)OC=12,1.9731278535996986,
CC(=O)N(C)C(=O)OC1C=CC=C2OC3(CCCCC3)OC=12,1000.0,4.0,3.0,0.0,305.3300000000001,16.0,5.0,CC(=O)N(C)C(=O)OC1C=CC=C2OC3(CCCCC3)OC=12,3.0,
CC(=O)N(C)C1=C(I)C(=C(I)C(=C1I)C(=O)NC)C(=O)NCC(=O)NC1C(I)=C(C(I)=C(C=1I)C(=O)NCCO)C(O)=O,10001.0,2.0,1.0,1.0,1268.8829999999996,24.0,8.0,CC(=O)N(C)C1=C(I)C(=C(I)C(=C1I)C(=O)NC)C(=O)NCC(=O)NC1C(I)=C(C(I)=C(C=1I)C(=O)NCCO)C(O)=O,4.000043427276863,Ioxaglic acid
CC(=O)N(C)C1C(I)=C(C(I)=C(NC(C)=O)C=1I)C(=O)NC1C(O)C(O)C(CO)OC1O,10001.0,2.0,1.0,1.0,789.0989999999998,18.0,8.0,CC(=O)N(C)C1C(I)=C(C(I)=C(NC(C)=O)C=1I)C(=O)NC1C(O)C(O)C(CO)OC1O,4.000043427276863,Metrizamide
CC(=O)N(C)C1C(I)=C(C(O)=O)C(I)=C(NC(C)=O)C=1I,10001.0,3.0,2.0,1.0,627.9420000000001,12.0,4.0,CC(=O)N(C)C1C(I)=C(C(O)=O)C(I)=C(NC(C)=O)C=1I,4.000043427276863,Metrizoic acid
CC(=O)N(C)C=C,1760.0,1.0,2.0,0.0,99.13299999999998,5.0,1.0,CC(=O)N(C)C=C,3.24551266781415,N-Methyl-N-vinylacetamide
CC(=O)N(CC(C)C(O)=O)C1=C(I)C=C(I)C(N)=C1I,7100.0,3.0,2.0,1.0,613.9590000000001,12.0,3.0,CC(=O)N(CC(C)C(O)=O)C1=C(I)C=C(I)C(N)=C1I,3.8512583487190755,Iocetamic acid
CC(=O)N(CC(O)CO)C1C(I)=C(C(I)=C(C=1I)C(=O)NCC(O)CO)C(=O)NCC(O)CO,10001.0,1.0,1.0,1.0,821.1410000000001,19.0,9.0,CC(=O)N(CC(O)CO)C1C(I)=C(C(I)=C(C=1I)C(=O)NCC(O)CO)C(=O)NCC(O)CO,4.000043427276863,Iohexol
CC(=O)N(CC)C1C(I)=CC(I)=C(OCCOC(C)C(O)=O)C=1I,1600.0,3.0,0.0,1.0,673.0230000000003,15.0,5.0,CC(=O)N(CC)C1C(I)=CC(I)=C(OCCOC(C)C(O)=O)C=1I,3.2041199826559246,
CC(=O)N(CC)CC,1500.0,2.0,2.0,0.0,115.176,6.0,1.0,CC(=O)N(CC)CC,3.1760912590556813,Diethylacetamide
CC(=O)N(CCN(C(C)=O)C(C)=O)C(C)=O,6275.0,4.0,2.0,0.0,228.248,10.0,4.0,CC(=O)N(CCN(C(C)=O)C(C)=O)C(C)=O,3.797613730153076,Tetraacetylethylenediamine
CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN,10001.0,1.0,1.0,1.0,560.6930000000002,25.0,8.0,CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN,4.000043427276863,Deferoxamine
CC(=O)N1C2C=CC=CC=2C(C2C=CC(=CC=2)OC(C)=O)(C2C=CC(=CC=2)OC(C)=O)C1=O,500.0,4.0,1.0,0.0,443.45500000000015,26.0,6.0,CC(=O)N1C2C=CC=CC=2C(C2C=CC(=CC=2)OC(C)=O)(C2C=CC(=CC=2)OC(C)=O)C1=O,2.6989700043360187,"2H-Indol-2-one, 1-acetyl-3,3-bis[4-(acetyloxy)phenyl]-1,3-dihydro-"
CC(=O)N1C=C(C(=O)N2C1CCCC2C)C(=O)OCC,2495.0,4.0,3.0,0.0,280.324,14.0,4.0,CC(=O)N1C=C(C(=O)N2C1CCCC2C)C(=O)OCC,3.397070549959409,
CC(=O)N1CC(O)CC1C(O)=O,3750.0,2.0,2.0,0.0,173.16799999999998,7.0,4.0,CC(=O)N1CC(O)CC1C(O)=O,3.574031267727719,Oxaceprol
CC(=O)N1CCCCCC1=O,1836.0,3.0,2.0,0.0,155.197,8.0,2.0,CC(=O)N1CCCCCC1=O,3.2638726768652235,"2H-Azepin-2-one, 1-acetylhexahydro-"
CC(=O)N1CCN(CC1)C1C=CC(=CC=1)OCC1COC(CN2C=NC=C2)(O1)C1=CC=C(Cl)C=C1Cl,166.0,2.0,0.0,1.0,531.4399999999999,26.0,4.0,CC(=O)N1CCN(CC1)C1C=CC(=CC=1)OCC1COC(CN2C=NC=C2)(O1)C1=CC=C(Cl)C=C1Cl,2.220108088040055,Ketoconazole
CC(=O)N1CCN(CC1)C1C=CC(O)=CC=1,1150.0,4.0,2.0,0.0,220.272,12.0,2.0,CC(=O)N1CCN(CC1)C1C=CC(O)=CC=1,3.060697840353612,4-(4-Acetylpiperazin-4-yl)phenol
CC(=O)N1CCOCC1,6130.0,2.0,2.0,0.0,129.159,6.0,2.0,CC(=O)N1CCOCC1,3.787460474518415,"Morpholine, 4-acetyl-"
CC(=O)N1CN(CN(CN(C1)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O,7500.0,3.0,3.0,0.0,293.1960000000001,6.0,7.0,CC(=O)N1CN(CN(CN(C1)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O,3.8750612633917,"1,3,5,7-Tetrazocine, octahydro-1-acetyl-3,5,7-trinitro-"
CC(=O)N1CSCC1C(O)=O,7500.0,4.0,2.0,0.0,175.20900000000003,6.0,3.0,CC(=O)N1CSCC1C(O)=O,3.8750612633917,CERAPP_31619
CC(=O)N=C1C2OC3=CC(NC(=O)C4C=CC=CC=4)=C(C=C3N=C2C(=NC(C)=O)C2OC3C=C(NC(=O)C4C=CC=CC=4)C(=CC=3N=C12)OCC)OCC,10001.0,0.0,0.0,2.0,726.7460000000001,40.0,8.0,CC(=O)N=C1C2OC3=CC(NC(=O)C4C=CC=CC=4)=C(C=C3N=C2C(=NC(C)=O)C2OC3C=C(NC(=O)C4C=CC=CC=4)C(=CC=3N=C12)OCC)OCC,4.000043427276863,"Benzamide, N,N'-[6,13-bis(acetylamino)-2,9-diethoxy-3,10-triphenodioxazinediyl]bis-"
CC(=O)NC(=O)C1=CC=CC=C1O,1800.0,4.0,2.0,0.0,179.17499999999998,9.0,3.0,CC(=O)NC(=O)C1=CC=CC=C1O,3.255272505103306,Acetylsalicylamide
CC(=O)NC(=O)N(C)N=O,200.0,1.0,2.0,0.0,145.118,4.0,3.0,CC(=O)NC(=O)N(C)N=O,2.3010299956639813,"Urea, 3-acetyl-1-methyl-1-nitroso-"
CC(=O)NC(=O)NC(=O)C(CC)C1C=CC=CC=1,2483.0,4.0,2.0,0.0,248.282,13.0,3.0,CC(=O)NC(=O)NC(=O)C(CC)C1C=CC=CC=1,3.394976719554564,Acetylpheneturide
CC(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(N)=N)C=O,720.0,4.0,1.0,0.0,426.5620000000001,20.0,4.0,CC(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(N)=N)C=O,2.8573324964312685,Leupeptin
CC(=O)NC(CC1=CNC2C=CC=CC=21)C(O)=O,10001.0,4.0,2.0,0.0,246.266,13.0,3.0,CC(=O)NC(CC1=CNC2C=CC=CC=21)C(O)=O,4.000043427276863,"L-Tryptophan, N-acetyl-"
CC(=O)NC(CCC(O)=O)C(O)=O,7000.0,3.0,2.0,0.0,189.167,7.0,5.0,CC(=O)NC(CCC(O)=O)C(O)=O,3.845098040014257,N-Acetyl-L-glutamic acid
CC(=O)NC(CCSC)C(=O)NCCC1=CC(OC(=O)OCC)=C(C=C1)OC(=O)OCC,3500.0,4.0,1.0,0.0,470.5440000000002,21.0,8.0,CC(=O)NC(CCSC)C(=O)NCCC1=CC(OC(=O)OCC)=C(C=C1)OC(=O)OCC,3.5440680443502757,Docarpamine
CC(=O)NC(CS)C(O)=O,4282.0,1.0,2.0,0.0,163.198,5.0,3.0,CC(=O)NC(CS)C(O)=O,3.6316466629584196,N-Acetyl-L-cysteine
CC(=O)NC(N)=S,50.0,0.0,2.0,0.0,118.161,3.0,1.0,CC(=O)NC(N)=S,1.6989700043360187,1-Acetyl-2-thiourea
CC(=O)NC1=C(I)C(C(O)=O)=C(I)C(NC(C)=O)=C1I,7000.0,3.0,2.0,1.0,613.9150000000002,11.0,4.0,CC(=O)NC1=C(I)C(C(O)=O)=C(I)C(NC(C)=O)=C1I,3.845098040014257,Diatrizoic acid dihydrate
CC(=O)NC1=CC(=C(C=C1)N=NC1=C(N)C=CC2=CC(=CC(O)=C21)S(O)(=O)=O)C(F)(F)F,7500.0,4.0,0.0,0.0,468.4130000000001,19.0,5.0,CC(=O)NC1=CC(=C(C=C1)N=NC1=C(N)C=CC2=CC(=CC(O)=C21)S(O)(=O)=O)C(F)(F)F,3.8750612633917,"2-Naphthalenesulfonic acid, 5-[2-[4-(acetylamino)-2-(trifluoromethyl)phenyl]diazenyl]-6-amino-4-hydroxy-, sodium salt (1:1)"
CC(=O)NC1=CC(=CC(N)=C1O)S(O)(=O)=O,3500.0,4.0,2.0,0.0,246.24399999999997,8.0,5.0,CC(=O)NC1=CC(=CC(N)=C1O)S(O)(=O)=O,3.5440680443502757,"Benzenesulfonic acid, 3-(acetylamino)-5-amino-4-hydroxy-"
CC(=O)NC1=CC(=CC2=CC(=C(N=NC3C=CC(=CC=3)NC(C)=O)C(O)=C12)S(O)(=O)=O)S(O)(=O)=O,10001.0,3.0,1.0,1.0,522.5170000000003,20.0,9.0,CC(=O)NC1=CC(=CC2=CC(=C(N=NC3C=CC(=CC=3)NC(C)=O)C(O)=C12)S(O)(=O)=O)S(O)(=O)=O,4.000043427276863,C.I. Food Red 11
CC(=O)NC1=CC(=CC2=CC(=C(N=NC3C=CC=CC=3)C(O)=C12)S(O)(=O)=O)S(O)(=O)=O,7500.0,4.0,1.0,0.0,465.46500000000015,18.0,8.0,CC(=O)NC1=CC(=CC2=CC(=C(N=NC3C=CC=CC=3)C(O)=C12)S(O)(=O)=O)S(O)(=O)=O,3.8750612633917,C.I. Acid Red 1
CC(=O)NC1=CC(=CC=C1)NC(C)=O,10001.0,4.0,2.0,0.0,192.21799999999996,10.0,2.0,CC(=O)NC1=CC(=CC=C1)NC(C)=O,4.000043427276863,"Acetamide, N,N'-m-phenylenebis- (6CI,7CI,8CI)"
CC(=O)NC1=CC(=CC=C1)NC1C=C(C(N)=C2C=1C(=O)C1C=CC=CC=1C2=O)S(O)(=O)=O,7500.0,4.0,2.0,0.0,451.4600000000002,22.0,6.0,CC(=O)NC1=CC(=CC=C1)NC1C=C(C(N)=C2C=1C(=O)C1C=CC=CC=1C2=O)S(O)(=O)=O,3.8750612633917,C.I. Acid Blue 324
CC(=O)NC1=CC(=CC=C1N=NC1C=CC(=CC=1Cl)[N+]([O-])=O)N(CCOC(C)=O)CCOC(C)=O,7500.0,3.0,0.0,1.0,505.9150000000002,22.0,7.0,CC(=O)NC1=CC(=CC=C1N=NC1C=CC(=CC=1Cl)[N+]([O-])=O)N(CCOC(C)=O)CCOC(C)=O,3.8750612633917,"Acetamide, N-[5-[bis[2-(acetyloxy)ethyl]amino]-2-[(2-chloro-4-nitrophenyl)azo]phenyl]-"
CC(=O)NC1=CC(NS(=O)(=O)C(F)(F)F)=C(C)C=C1C,4000.0,4.0,3.0,0.0,310.297,11.0,3.0,CC(=O)NC1=CC(NS(=O)(=O)C(F)(F)F)=C(C)C=C1C,3.6020599913279625,Mefluidide
CC(=O)NC1=CC2SC3=CC=CC=C3C=2C=C1,1195.0,4.0,1.0,0.0,241.315,14.0,1.0,CC(=O)NC1=CC2SC3=CC=CC=C3C=2C=C1,3.0773679052841563,"Acetamide, N-3-dibenzothienyl-"
CC(=O)NC1=CC=C(C2=CC(=C(N=NC3=CC=C(N=NC4C=CC(=CC=4)S(O)(=O)=O)C4=CC=C(C=C34)S(O)(=O)=O)C(O)=C12)S(O)(=O)=O)S(O)(=O)=O,6251.0,1.0,0.0,4.0,779.7650000000003,28.0,14.0,CC(=O)NC1=CC=C(C2=CC(=C(N=NC3=CC=C(N=NC4C=CC(=CC=4)S(O)(=O)=O)C4=CC=C(C=C34)S(O)(=O)=O)C(O)=C12)S(O)(=O)=O)S(O)(=O)=O,3.7959494989028033,Black PN
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC1C=C(C)ON=1,8400.0,4.0,3.0,0.0,295.32,12.0,4.0,CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC1C=C(C)ON=1,3.9242792860618816,N-Acetyl sulfamethoxazole
CC(=O)NC1=CC=CC2=C1NC1CCCCC=12,3865.0,4.0,2.0,0.0,228.29499999999993,14.0,1.0,CC(=O)NC1=CC=CC2=C1NC1CCCCC=12,3.5871494982543437,"Acetamide, N-(5,6,7,8-tetrahydrocarbazol-1-yl)-"
CC(=O)NC1=CC=CC=C1OCCCC,2900.0,4.0,2.0,0.0,207.27299999999997,12.0,2.0,CC(=O)NC1=CC=CC=C1OCCCC,3.462397997898956,"Acetamide, N-(2-butoxyphenyl)- (9CI)"
CC(=O)NC1=NC=C(S1)[N+]([O-])=O,400.0,3.0,2.0,0.0,187.18,5.0,3.0,CC(=O)NC1=NC=C(S1)[N+]([O-])=O,2.6020599913279625,Nithiamide
CC(=O)NC1C=C(C(=CC=1N=NC1C(Br)=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O)OC)N(CC=C)CC=C,5500.0,1.0,0.0,2.0,533.3390000000002,21.0,6.0,CC(=O)NC1C=C(C(=CC=1N=NC1C(Br)=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O)OC)N(CC=C)CC=C,3.7403626894942437,"Acetamide, N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-(di-2-propenylamino)-4-methoxyphenyl]-"
CC(=O)NC1C=C(C(=CC=1N=NC1C(Cl)=CC(=CC=1C#N)[N+]([O-])=O)OC)N(CC(=O)OC)C(C)C(=O)OC,3500.0,2.0,0.0,3.0,546.9240000000002,23.0,8.0,CC(=O)NC1C=C(C(=CC=1N=NC1C(Cl)=CC(=CC=1C#N)[N+]([O-])=O)OC)N(CC(=O)OC)C(C)C(=O)OC,3.5440680443502757,"Alanine, N-[5-(acetylamino)-4-[2-(2-chloro-6-cyano-4-nitrophenyl)diazenyl]-2-methoxyphenyl]-N-(2-methoxy-2-oxoethyl)-, methyl ester"
CC(=O)NC1C=C(C=CC=1N=NC1C(=CC(=CC=1C#N)[N+]([O-])=O)C#N)N(CC)CC,7500.0,4.0,0.0,0.0,405.4180000000001,20.0,3.0,CC(=O)NC1C=C(C=CC=1N=NC1C(=CC(=CC=1C#N)[N+]([O-])=O)C#N)N(CC)CC,3.8750612633917,"Acetamide, N-[2-[(2,6-dicyano-4-nitrophenyl)azo]-5-(diethylamino)phenyl]-"
CC(=O)NC1C=C(C=CC=1N=NC1C(=CC(=CC=1C#N)[N+]([O-])=O)[N+]([O-])=O)N(CC)CC,3500.0,4.0,0.0,0.0,425.40500000000014,19.0,5.0,CC(=O)NC1C=C(C=CC=1N=NC1C(=CC(=CC=1C#N)[N+]([O-])=O)[N+]([O-])=O)N(CC)CC,3.5440680443502757,"Acetamide, N-[2-[(2-cyano-4,6-dinitrophenyl)azo]-5-(diethylamino)phenyl]-"
CC(=O)NC1C=C(C=CC=1N=NC1C=CC(=CC=1Cl)[N+]([O-])=O)N(CCC#N)CCOC(C)=O,5350.0,4.0,0.0,0.0,472.8890000000001,21.0,5.0,CC(=O)NC1C=C(C=CC=1N=NC1C=CC(=CC=1Cl)[N+]([O-])=O)N(CCC#N)CCOC(C)=O,3.7283537820212285,"Acetamide, N-[5-[[2-(acetyloxy)ethyl](2-cyanoethyl)amino]-2-[(2-chloro-4-nitrophenyl)azo]phenyl]-"
CC(=O)NC1C=C(C=CC=1N=NC1C=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O)N(CCC(=O)OC)CCC(=O)OC,7500.0,2.0,0.0,3.0,516.4670000000003,22.0,9.0,CC(=O)NC1C=C(C=CC=1N=NC1C=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O)N(CCC(=O)OC)CCC(=O)OC,3.8750612633917,".beta.-Alanine, N-[3-(acetylamino)-4-[(2,4-dinitrophenyl)azo]phenyl]-N-(3-methoxy-3-oxopropyl)-, methyl ester"
CC(=O)NC1C=C(C=CC=1OC)OC,962.0,4.0,2.0,0.0,195.218,10.0,3.0,CC(=O)NC1C=C(C=CC=1OC)OC,2.983175072037813,"Acetamide, N-(2,5-dimethoxyphenyl)-"
CC(=O)NC1C=C(Cl)C(=CC=1Cl)[N+]([O-])=O,2830.0,4.0,2.0,0.0,249.05299999999997,8.0,3.0,CC(=O)NC1C=C(Cl)C(=CC=1Cl)[N+]([O-])=O,3.45178643552429,"Acetamide, N-(2,5-dichloro-4-nitrophenyl)-"
CC(=O)NC1C=C(Cl)C=CC=1Cl,4100.0,3.0,2.0,0.0,204.056,8.0,1.0,CC(=O)NC1C=C(Cl)C=CC=1Cl,3.6127838567197355,"2,5-Dichloroacetanilide"
CC(=O)NC1C=C(NS(=O)(=O)C(F)(F)F)C(C)=CC=1,2580.0,4.0,3.0,0.0,296.27,10.0,3.0,CC(=O)NC1C=C(NS(=O)(=O)C(F)(F)F)C(C)=CC=1,3.41161970596323,Fluoridamid
CC(=O)NC1C=C(OC)C(=CC=1Br)C(=O)OC,3500.0,4.0,3.0,0.0,302.124,11.0,4.0,CC(=O)NC1C=C(OC)C(=CC=1Br)C(=O)OC,3.5440680443502757,Methyl 4-(acetylamino)-5-bromo-o-anisate
CC(=O)NC1C=C2C(C=C(C(N=NC3C=CC(=CC=3)S(=O)(=O)CCOS(O)(=O)=O)=C2O)S(O)(=O)=O)=CC=1,2751.0,3.0,1.0,3.0,573.5830000000003,20.0,11.0,CC(=O)NC1C=C2C(C=C(C(N=NC3C=CC(=CC=3)S(=O)(=O)CCOS(O)(=O)=O)=C2O)S(O)(=O)=O)=CC=1,3.4394905903896835,"2-Naphthalenesulfonic acid, 6-(acetylamino)-4-hydroxy-3-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, disodium salt"
CC(=O)NC1C=CC(=CC=1)C(=O)CCl,2150.0,4.0,2.0,0.0,211.64799999999997,10.0,2.0,CC(=O)NC1C=CC(=CC=1)C(=O)CCl,3.3324384599156054,4'-(Chloroacetyl)acetanilide
CC(=O)NC1C=CC(=CC=1)C1C=CC(N)=CC=1,1630.0,4.0,2.0,0.0,226.279,14.0,1.0,CC(=O)NC1C=CC(=CC=1)C1C=CC(N)=CC=1,3.2121876044039577,N-Acetylbenzidine
CC(=O)NC1C=CC(=CC=1)N=NC1C(=CC2=CC(=CC=C2C=1O)NC(=O)NC1C=C2C=C(C(N=NC3C=CC=CC=3)=C(O)C2=CC=1)S(O)(=O)=O)S(O)(=O)=O,7500.0,0.0,0.0,4.0,769.7740000000003,35.0,10.0,CC(=O)NC1C=CC(=CC=1)N=NC1C(=CC2=CC(=CC=C2C=1O)NC(=O)NC1C=C2C=C(C(N=NC3C=CC=CC=3)=C(O)C2=CC=1)S(O)(=O)=O)S(O)(=O)=O,3.8750612633917,Direct Red 23
CC(=O)NC1C=CC(=CC=1)NC(=O)C1C=C2C=CC=CC2=CC=1O,2751.0,4.0,2.0,0.0,320.348,19.0,3.0,CC(=O)NC1C=CC(=CC=1)NC(=O)C1C=C2C=CC=CC2=CC=1O,3.4394905903896835,"2-Naphthalenecarboxamide, N-[4-(acetylamino)phenyl]-3-hydroxy-"
CC(=O)NC1C=CC(=CC=1)NC1C=CC(O)=C2C=1C(=O)C1C=CC=CC=1C2=O,5500.0,4.0,1.0,0.0,372.38000000000005,22.0,4.0,CC(=O)NC1C=CC(=CC=1)NC1C=CC(O)=C2C=1C(=O)C1C=CC=CC=1C2=O,3.7403626894942437,"Acetamide, N-[4-[(9,10-dihydro-4-hydroxy-9,10-dioxo-1-anthracenyl)amino]phenyl]-"
CC(=O)NC1C=CC(=CC=1)OC(=O)C1=CC=CC=C1OC(C)=O,3500.0,4.0,3.0,0.0,313.309,17.0,5.0,CC(=O)NC1C=CC(=CC=1)OC(=O)C1=CC=CC=C1OC(C)=O,3.5440680443502757,Benorylate
CC(=O)NC1C=CC(=CC=1)OCC,2532.0,4.0,2.0,0.0,179.219,10.0,2.0,CC(=O)NC1C=CC(=CC=1)OCC,3.4034637013453173,Phenacetin
CC(=O)NC1C=CC(=CC=1)OCC(O)CNC(C)C,3458.0,4.0,2.0,0.0,266.34099999999995,14.0,3.0,CC(=O)NC1C=CC(=CC=1)OCC(O)CNC(C)C,3.5388249889379035,Practolol
CC(=O)NC1C=CC(=CC=1)S(=O)(=O)Cl,3200.0,4.0,2.0,0.0,233.676,8.0,3.0,CC(=O)NC1C=CC(=CC=1)S(=O)(=O)Cl,3.505149978319906,4-(Acetylamino)benzenesulfonyl chloride
CC(=O)NC1C=CC(CC(O)=O)=CC=1,10001.0,4.0,2.0,0.0,193.202,10.0,3.0,CC(=O)NC1C=CC(CC(O)=O)=CC=1,4.000043427276863,4-Acetylaminophenylacetic acid
CC(=O)NC1C=CC(N)=CC=1,2500.0,3.0,2.0,0.0,150.181,8.0,1.0,CC(=O)NC1C=CC(N)=CC=1,3.3979400086720375,"Acetamide, N-(4-aminophenyl)-, monohydrochloride"
CC(=O)NC1C=CC(O)=CC=1,2115.0,3.0,2.0,0.0,151.165,8.0,2.0,CC(=O)NC1C=CC(O)=CC=1,3.325310371711061,Acetaminophen
CC(=O)NC1C=CC=CC=1,800.0,2.0,2.0,0.0,135.16599999999997,8.0,1.0,CC(=O)NC1C=CC=CC=1,2.9030899869919438,Acetanilide
CC(=O)NC1C=CC=CC=1CCNC(=O)C1=CC=C2C=CC=CC2=C1O,3200.0,4.0,3.0,0.0,348.402,21.0,3.0,CC(=O)NC1C=CC=CC=1CCNC(=O)C1=CC=C2C=CC=CC2=C1O,3.505149978319906,"2-Naphthalenecarboxamide, N-[2-[2-(acetylamino)phenyl]ethyl]-1-hydroxy-"
CC(=O)NC1C=CN=CC=1,446.0,1.0,2.0,0.0,136.154,7.0,1.0,CC(=O)NC1C=CN=CC=1,2.649334858712142,"Acetamide, N-4-pyridinyl- (9CI)"
CC(=O)NC1CC(C)(C)NC(C)(C)C1,3500.0,4.0,2.0,0.0,198.30999999999997,11.0,1.0,CC(=O)NC1CC(C)(C)NC(C)(C)C1,3.5440680443502757,"Acetamide, N-(2,2,6,6-tetramethyl-4-piperidinyl)-"
CC(=O)NCC1C(I)=C(NC(C)=O)C(I)=C(C(O)=O)C=1I,7000.0,3.0,2.0,1.0,627.9420000000002,12.0,4.0,CC(=O)NCC1C(I)=C(NC(C)=O)C(I)=C(C(O)=O)C=1I,3.845098040014257,Iodamide
CC(=O)NCCC1=CNC2C=CC(=CC1=2)OC,3200.0,4.0,2.0,0.0,232.28299999999996,13.0,2.0,CC(=O)NCCC1=CNC2C=CC(=CC1=2)OC,3.505149978319906,Melatonin
CC(=O)NCCO,10001.0,0.0,2.0,0.0,103.121,4.0,2.0,CC(=O)NCCO,4.000043427276863,N-(2-Hydroxyethyl)acetamide
CC(=O)NCCSP(=S)(OC)OC,220.0,4.0,1.0,0.0,243.28999999999996,6.0,3.0,CC(=O)NCCSP(=S)(OC)OC,2.342422680822206,"O,O-Dimethyl S-2(acetylamino)ethyl dithiophosphate, technical grade"
CC(=O)NCN(C(=O)CCl)C1C(CC)=CC=CC=1CC,3100.0,4.0,2.0,0.0,296.798,15.0,2.0,CC(=O)NCN(C(=O)CCl)C1C(CC)=CC=CC=1CC,3.4913616938342726,Amidochlor
CC(=O)NNC(=O)C1=CC=CC=N1,673.0,4.0,2.0,0.0,179.179,8.0,2.0,CC(=O)NNC(=O)C1=CC=CC=N1,2.828015064223977,1-Acetyl-2-picolinoylhydrazine
CC(=O)NNC1C=CC(N)=CC=1,10.0,4.0,2.0,0.0,165.19599999999997,8.0,1.0,CC(=O)NNC1C=CC(N)=CC=1,1.0,"Acetic acid, 2-(4-aminophenyl)hydrazide"
CC(=O)NO,4800.0,0.0,2.0,0.0,75.067,2.0,2.0,CC(=O)NO,3.681241237375587,Acetohydroxamic acid
CC(=O)OB(OC(C)=O)OC(C)=O,2325.0,4.0,2.0,0.0,187.944,6.0,6.0,CC(=O)OB(OC(C)=O)OC(C)=O,3.3664229572259727,"Borate(1-), tris(acetato-.kappa.O)hydro-, sodium, (T-4)-"
CC(=O)OC(=C)C#N,100.0,1.0,2.0,0.0,111.09999999999998,5.0,2.0,CC(=O)OC(=C)C#N,2.0,"Acetic acid, 1-cyanovinyl ester"
CC(=O)OC(=C)C1C=CC=CC=1,3500.0,4.0,2.0,0.0,162.188,10.0,2.0,CC(=O)OC(=C)C1C=CC=CC=1,3.5440680443502757,1-Phenylethenyl acetate
CC(=O)OC(C)(C)C,4500.0,2.0,2.0,0.0,116.16,6.0,2.0,CC(=O)OC(C)(C)C,3.6532125137753435,tert-Butyl acetate
CC(=O)OC(C)(C)CC1C=CC=CC=1,3300.0,4.0,2.0,0.0,192.25800000000004,12.0,2.0,CC(=O)OC(C)(C)CC1C=CC=CC=1,3.5185139398778875,Dimethylbenzylcarbinyl acetate
CC(=O)OC(C)(C)CCC1C=CC=CC=1,4850.0,4.0,2.0,0.0,206.28500000000005,13.0,2.0,CC(=O)OC(C)(C)CCC1C=CC=CC=1,3.6857417386022635,"1,1-Dimethyl-3-phenylpropyl acetate"
CC(=O)OC(C)(C)CCCC(=C)C=C,6300.0,4.0,1.0,0.0,196.29,12.0,2.0,CC(=O)OC(C)(C)CCCC(=C)C=C,3.7993405494535817,2-methyl-6-methylideneoct-7-en-2-yl acetate
CC(=O)OC(C)=C,3250.0,1.0,2.0,0.0,100.117,5.0,2.0,CC(=O)OC(C)=C,3.5118833609788744,Isopropenyl acetate
CC(=O)OC(C)=O,630.0,1.0,2.0,0.0,102.089,4.0,3.0,CC(=O)OC(C)=O,2.7993405494535817,Acetic anhydride
CC(=O)OC(C)C1C=CC=CC=1,7500.0,4.0,2.0,0.0,164.204,10.0,2.0,CC(=O)OC(C)C1C=CC=CC=1,3.8750612633917,(+/-)-alpha-Methylbenzyl acetate
CC(=O)OC(C)CC1C=CC=CC=1,7500.0,4.0,2.0,0.0,178.23100000000002,11.0,2.0,CC(=O)OC(C)CC1C=CC=CC=1,3.8750612633917,CERAPP_29910
CC(=O)OC(C)OC(=O)C(C)C1C=C(F)C(=CC=1)C1C=CC=CC=1,66.0,4.0,1.0,0.0,330.355,19.0,4.0,CC(=O)OC(C)OC(=O)C(C)C1C=C(F)C(=CC=1)C1C=CC=CC=1,1.8195439355418688,Flurbiprofen axetil
CC(=O)OC(C)OC(=O)C1=C(COC(N)=O)CSC2C(NC(=O)C(=NOC)C3=CC=CO3)C(=O)N12,10000.0,3.0,1.0,3.0,510.4810000000003,20.0,10.0,CC(=O)OC(C)OC(=O)C1=C(COC(N)=O)CSC2C(NC(=O)C(=NOC)C3=CC=CO3)C(=O)N12,4.0,Cefuroxime axetil
CC(=O)OC(C1C=CC=CC=1)C(Cl)(Cl)Cl,6800.0,4.0,2.0,0.0,267.539,10.0,2.0,CC(=O)OC(C1C=CC=CC=1)C(Cl)(Cl)Cl,3.832508912706236,"2,2,2-Trichloro-1-phenylethyl acetate"
CC(=O)OC(C=C)OC(C)=O,35.0,2.0,2.0,0.0,158.153,7.0,4.0,CC(=O)OC(C=C)OC(C)=O,1.5440680443502757,"2-Propene-1,1-diol diacetate"
CC(=O)OC(CC(=O)OCC(CCCC)CC)(CC(=O)OCC(CCCC)CC)C(=O)OCC(CCCC)CC,2751.0,0.0,0.0,2.0,570.8080000000001,32.0,8.0,CC(=O)OC(CC(=O)OCC(CCCC)CC)(CC(=O)OCC(CCCC)CC)C(=O)OCC(CCCC)CC,3.4394905903896835,"1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-tris(2-ethylhexyl) ester"
CC(=O)OC(CC(=O)OCC)(CC(=O)OCC)C(=O)OCC,7465.0,4.0,2.0,0.0,318.32200000000006,14.0,8.0,CC(=O)OC(CC(=O)OCC)(CC(=O)OCC)C(=O)OCC,3.873029812061044,Acetyltriethyl citrate
CC(=O)OC(CC(=O)OCCCC)(CC(=O)OCCCC)C(=O)OCCCC,10001.0,4.0,1.0,0.0,402.4840000000002,20.0,8.0,CC(=O)OC(CC(=O)OCCCC)(CC(=O)OCCCC)C(=O)OCCCC,4.000043427276863,Acetyl tributyl citrate
CC(=O)OC(CC)C(CC(C)N(C)C)(C1C=CC=CC=1)C1C=CC=CC=1,29.0,4.0,0.0,0.0,353.50600000000003,23.0,2.0,CC(=O)OC(CC)C(CC(C)N(C)C)(C1C=CC=CC=1)C1C=CC=CC=1,1.462397997898956,Levomethadyl acetate hydrochloride
CC(=O)OC(CC)C1=CC2OCOC=2C=C1,9300.0,4.0,2.0,0.0,222.23999999999995,12.0,4.0,CC(=O)OC(CC)C1=CC2OCOC=2C=C1,3.9684829485539352,
CC(=O)OC(CC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCC(CCCCCC)OC(C)=O)COC(=O)CCCCCCCC=CCC(CCCCCC)OC(C)=O)CCCCCC,7500.0,0.0,0.0,4.0,1059.560999999999,63.0,12.0,CC(=O)OC(CC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCC(CCCCCC)OC(C)=O)COC(=O)CCCCCCCC=CCC(CCCCCC)OC(C)=O)CCCCCC,3.8750612633917,"9-Octadecenoic acid, 12-(acetyloxy)-, 1,2,3-propanetriyl ester, (9Z,9'Z,9''Z,12R,12'R,12''R)-"
CC(=O)OC(COC(C)=O)COC(C)=O,4400.0,4.0,1.0,0.0,218.205,9.0,6.0,CC(=O)OC(COC(C)=O)COC(C)=O,3.6434526764861874,Triacetin
CC(=O)OC1(CCCCC1)C#C,680.0,4.0,2.0,0.0,166.21999999999997,10.0,2.0,CC(=O)OC1(CCCCC1)C#C,2.832508912706236,CERAPP_31698
CC(=O)OC12C3C(OC(=O)C4C=CC=CC=4)C(O)(CC3C34C5C(OC)C1C3N(CC5(COC)C(O)CC4OC)CC)C(OC)C2O,5.97,1.0,1.0,3.0,645.7460000000003,34.0,11.0,CC(=O)OC12C3C(OC(=O)C4C=CC=CC=4)C(O)(CC3C34C5C(OC)C1C3N(CC5(COC)C(O)CC4OC)CC)C(OC)C2O,0.7759743311293691,Aconitine
CC(=O)OC1=C(C2C(C)=CC(C)=CC=2C)C(=O)C2=CC=CC=C21,8000.0,4.0,2.0,0.0,306.361,20.0,3.0,CC(=O)OC1=C(C2C(C)=CC(C)=CC=2C)C(=O)C2=CC=CC=C21,3.9030899869919438,"1H-Inden-1-one, 3-(acetyloxy)-2-(2,4,6-trimethylphenyl)-"
CC(=O)OC1=C(C=C(Cl)C=C1Br)C(=S)NC1C=CC(Br)=CC=1,3000.0,4.0,1.0,1.0,463.5780000000001,15.0,2.0,CC(=O)OC1=C(C=C(Cl)C=C1Br)C(=S)NC1C=CC(Br)=CC=1,3.4771212547196626,Brotianide
CC(=O)OC1=C(C=C(I)C=C1I)C(=O)NC1C=CC(Cl)=CC=1,7500.0,3.0,1.0,1.0,541.5100000000001,15.0,3.0,CC(=O)OC1=C(C=C(I)C=C1I)C(=O)NC1C=CC(Cl)=CC=1,3.8750612633917,"Benzamide, 2-(acetyloxy)-N-(4-chlorophenyl)-3,5-diiodo-"
CC(=O)OC1=C(CCCCCCCCCCCC)C(=O)C2C=CC=CC=2C1=O,7500.0,3.0,0.0,1.0,384.5160000000001,24.0,4.0,CC(=O)OC1=C(CCCCCCCCCCCC)C(=O)C2C=CC=CC=2C1=O,3.8750612633917,Acequinocyl
CC(=O)OC1=CC(=CC(=C1)OC(C)=O)C(C)=O,7500.0,4.0,2.0,0.0,236.223,12.0,5.0,CC(=O)OC1=CC(=CC(=C1)OC(C)=O)C(C)=O,3.8750612633917,"5-Acetyl-1,3-phenylene diacetate"
CC(=O)OC1=CC(=CC=C1)OC(C)=O,4010.0,4.0,2.0,0.0,194.186,10.0,4.0,CC(=O)OC1=CC(=CC=C1)OC(C)=O,3.603144372620182,"1,3-Benzenediol, 1,3-diacetate"
CC(=O)OC1=CC(=CC=C1)OC1C=CC(=CC=1Cl)C(F)(F)F,2500.0,4.0,2.0,1.0,330.68899999999996,15.0,3.0,CC(=O)OC1=CC(=CC=C1)OC1C=CC(=CC=1Cl)C(F)(F)F,3.3979400086720375,"Phenol, 3-[2-chloro-4-(trifluoromethyl)phenoxy]-, acetate"
CC(=O)OC1=CC=C(Br)C=C1C(O)=O,1130.0,4.0,3.0,0.0,259.05499999999995,9.0,4.0,CC(=O)OC1=CC=C(Br)C=C1C(O)=O,3.0530784434834195,2-(Acetyloxy)-5-bromobenzoic acid
CC(=O)OC1=CC=C(C=C1C1C(=O)OC2C=CC(=CC=21)C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)C,3500.0,0.0,0.0,1.0,492.70000000000033,32.0,4.0,CC(=O)OC1=CC=C(C=C1C1C(=O)OC2C=CC(=CC=21)C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)C,3.5440680443502757,"2(3H)-Benzofuranone, 3-[2-(acetyloxy)-5-(1,1,3,3-tetramethylbutyl)phenyl]-5-(1,1,3,3-tetramethylbutyl)-"
CC(=O)OC1=CC=CC=C1C(=O)OC(=O)C1=CC=CC=C1OC(C)=O,2200.0,4.0,3.0,0.0,342.30300000000005,18.0,7.0,CC(=O)OC1=CC=CC=C1C(=O)OC(=O)C1=CC=CC=C1OC(C)=O,3.342422680822206,Acetylsalicylic anhydride
CC(=O)OC1C(=CC(=C(C)C=1[N+]([O-])=O)[N+]([O-])=O)C(C)(C)C,42.0,4.0,3.0,0.0,296.279,13.0,6.0,CC(=O)OC1C(=CC(=C(C)C=1[N+]([O-])=O)[N+]([O-])=O)C(C)(C)C,1.6232492903979006,Medinoterb acetate [ISO]
CC(=O)OC1C(=CC(=CC=1C(C)CC)[N+]([O-])=O)[N+]([O-])=O,60.0,4.0,2.0,0.0,282.252,12.0,6.0,CC(=O)OC1C(=CC(=CC=1C(C)CC)[N+]([O-])=O)[N+]([O-])=O,1.7781512503836436,Dinoseb acetate
CC(=O)OC1C(=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O)C(C)(C)C,62.0,4.0,3.0,0.0,282.252,12.0,6.0,CC(=O)OC1C(=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O)C(C)(C)C,1.792391689498254,Dinoterb acetate [ISO]
CC(=O)OC1C(O)CNC1CC1C=CC(=CC=1)OC,72.0,4.0,3.0,0.0,265.30899999999997,14.0,4.0,CC(=O)OC1C(O)CNC1CC1C=CC(=CC=1)OC,1.8573324964312685,Anisomycin
CC(=O)OC1C(OC(C)=O)C(COC(C)=O)OC1N1N=CC(=O)NC1=O,10001.0,3.0,1.0,2.0,371.3020000000002,14.0,9.0,CC(=O)OC1C(OC(C)=O)C(COC(C)=O)OC1N1N=CC(=O)NC1=O,4.000043427276863,6-Azaribine
CC(=O)OC1C(OC(C)=O)C(OC2(COC(C)=O)OC(COC(C)=O)C(OC(C)=O)C2OC(C)=O)OC(COC(C)=O)C1OC(C)=O,7500.0,0.0,1.0,3.0,678.5930000000003,28.0,19.0,CC(=O)OC1C(OC(C)=O)C(OC2(COC(C)=O)OC(COC(C)=O)C(OC(C)=O)C2OC(C)=O)OC(COC(C)=O)C1OC(C)=O,3.8750612633917,Sucrose octaacetate
CC(=O)OC1C2OC(=O)C(OC(C)=O)C2OC1=O,10000.0,3.0,3.0,0.0,258.18199999999996,10.0,8.0,CC(=O)OC1C2OC(=O)C(OC(C)=O)C2OC1=O,4.0,Aceglatone
CC(=O)OC1C=C(C=CC=1C(O)=O)C(F)(F)F,402.0,4.0,2.0,0.0,248.156,10.0,4.0,CC(=O)OC1C=C(C=CC=1C(O)=O)C(F)(F)F,2.60422605308447,Triflusal
CC(=O)OC1C=CC(=CC=1)C#N,743.0,3.0,2.0,0.0,161.16,9.0,2.0,CC(=O)OC1C=CC(=CC=1)C#N,2.8709888137605755,"Benzonitrile, 4-(acetyloxy)-"
CC(=O)OC1C=CC(=CC=1)C(C1C=CC(=CC=1)OC(C)=O)=C1CCCCC1,10001.0,4.0,1.0,1.0,364.441,23.0,4.0,CC(=O)OC1C=CC(=CC=1)C(C1C=CC(=CC=1)OC(C)=O)=C1CCCCC1,4.000043427276863,Cyclofenil
CC(=O)OC1C=CC(=CC=1)C(C1C=CC=CN=1)C1C=CC(=CC=1)OC(C)=O,4305.0,4.0,1.0,0.0,361.3970000000001,22.0,4.0,CC(=O)OC1C=CC(=CC=1)C(C1C=CC=CN=1)C1C=CC(=CC=1)OC(C)=O,3.6339731557896737,Bisacodyl
CC(=O)OC1C=CC(=CC=1)C1(C2=CC=CC=C2NC1=O)C1C=CC(=CC=1)OC(C)=O,1900.0,4.0,1.0,0.0,401.41800000000006,24.0,5.0,CC(=O)OC1C=CC(=CC=1)C1(C2=CC=CC=C2NC1=O)C1C=CC(=CC=1)OC(C)=O,3.278753600952829,Oxyphenisatin acetate
CC(=O)OC1C=CC(=CC=1)C1(OC2C=CC=CC=2NC1=O)C1C=CC(=CC=1)OC(C)=O,8000.0,4.0,1.0,0.0,417.4170000000001,24.0,6.0,CC(=O)OC1C=CC(=CC=1)C1(OC2C=CC=CC=2NC1=O)C1C=CC(=CC=1)OC(C)=O,3.9030899869919438,Bisoxatin acetate
CC(=O)OC1C=CC(C=C)=CC=1,1617.0,4.0,2.0,0.0,162.188,10.0,2.0,CC(=O)OC1C=CC(C=C)=CC=1,3.208710019906401,4-Ethenylphenyl acetate
CC(=O)OC1C=CC(C=CC)=CC=1OC,3450.0,4.0,2.0,0.0,206.24099999999996,12.0,3.0,CC(=O)OC1C=CC(C=CC)=CC=1OC,3.537819095073274,Isoeugenyl acetate
CC(=O)OC1C=CC(CC=C)=CC=1OC,1670.0,4.0,2.0,0.0,206.24099999999996,12.0,3.0,CC(=O)OC1C=CC(CC=C)=CC=1OC,3.2227164711475833,Acetyleugenol
CC(=O)OC1C=CC=CC=1C(=O)NC1=NC=C(S1)[N+]([O-])=O,10000.0,4.0,3.0,0.0,307.28700000000003,12.0,5.0,CC(=O)OC1C=CC=CC=1C(=O)NC1=NC=C(S1)[N+]([O-])=O,4.0,Nitazoxanide
CC(=O)OC1C=CC=CC=1C(=O)OC1C=CC=C(CO[N+]([O-])=O)C=1,3500.0,4.0,3.0,0.0,331.28000000000003,16.0,7.0,CC(=O)OC1C=CC=CC=1C(=O)OC1C=CC=C(CO[N+]([O-])=O)C=1,3.5440680443502757,
CC(=O)OC1C=CC=CC=1C(O)=O,1752.0,4.0,2.0,0.0,180.15899999999996,9.0,4.0,CC(=O)OC1C=CC=CC=1C(O)=O,3.243534101832062,Aspirin
CC(=O)OC1C=CC=CC=1C=CC(O)=O,3150.0,4.0,2.0,0.0,206.19699999999995,11.0,4.0,CC(=O)OC1C=CC=CC=1C=CC(O)=O,3.4983105537896004,
CC(=O)OC1C=CC=CC=1[N+]([O-])=O,3500.0,4.0,2.0,0.0,181.14699999999996,8.0,4.0,CC(=O)OC1C=CC=CC=1[N+]([O-])=O,3.5440680443502757,"Acetic acid, 2-nitrophenyl ester"
CC(=O)OC1CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CC=O)C(OC2OC(C)C(OC3CC(C)(O)C(OC(=O)CC(C)C)C(C)O3)C(C2O)N(C)C)C1OC,7000.0,1.0,1.0,3.0,828.0060000000001,42.0,15.0,CC(=O)OC1CC(=O)OC(C)CC=CC=CC(O)C(C)CC(CC=O)C(OC2OC(C)C(OC3CC(C)(O)C(OC(=O)CC(C)C)C(C)O3)C(C2O)N(C)C)C1OC,3.845098040014257,Josamycin
CC(=O)OC1CC(=O)OC(C)CC=CC=CC(OC2CCC(C(C)O2)N(C)C)C(C)CC(CC=O)C(OC2OC(C)C(OC3CC(C)(O)C(O)C(C)O3)C(C2O)N(C)C)C1OC,10001.0,1.0,1.0,3.0,885.1020000000004,45.0,15.0,CC(=O)OC1CC(=O)OC(C)CC=CC=CC(OC2CCC(C(C)O2)N(C)C)C(C)CC(CC=O)C(OC2OC(C)C(OC3CC(C)(O)C(O)C(C)O3)C(C2O)N(C)C)C1OC,4.000043427276863,Spiramycin II
CC(=O)OC1CC(OC(C)C1OC=O)OC1C(CC(OC1C)OC1C(CC(OC2CC3CCC4C(CCC5(C)C(C(CC54O)OC=O)C4COC(=O)C=4)C3(C)CC2)OC1C)OC=O)OC=O,39.01,1.0,0.0,3.0,935.0260000000004,47.0,19.0,CC(=O)OC1CC(OC(C)C1OC=O)OC1C(CC(OC1C)OC1C(CC(OC2CC3CCC4C(CCC5(C)C(C(CC54O)OC=O)C4COC(=O)C=4)C3(C)CC2)OC1C)OC=O)OC=O,1.5911759503117913,Gitoformate
CC(=O)OC1CC2(O)C(CCC3(C)C(CCC32O)C2C=CC(=O)OC=2)C2(C)CCC(C=C21)OC1OC(CO)C(O)C(O)C1O,0.43,1.0,1.0,3.0,620.6920000000006,32.0,12.0,CC(=O)OC1CC2(O)C(CCC3(C)C(CCC32O)C2C=CC(=O)OC=2)C2(C)CCC(C=C21)OC1OC(CO)C(O)C(O)C1O,-0.36653154442041347,Scilliroside
CC(=O)OC1CC2=CCC3C4CCC(C(C)CCCC(C)C)C4(C)CCC3C2(C)CC1,3500.0,2.0,0.0,1.0,428.7010000000003,29.0,2.0,CC(=O)OC1CC2=CCC3C4CCC(C(C)CCCC(C)C)C4(C)CCC3C2(C)CC1,3.5440680443502757,"Cholest-5-en-3-ol (3.beta.)-, 3-acetate"
CC(=O)OC1CC2CC1C1CC=CC21,7500.0,4.0,2.0,0.0,192.258,12.0,2.0,CC(=O)OC1CC2CC1C1CC=CC21,3.8750612633917,"3a,4,5,6,7,7a-Hexahydro-1H-4,7-methanoinden-6-yl acetate"
CC(=O)OC1CC2CC1C1CCCC21,3043.0,4.0,2.0,0.0,194.27399999999997,12.0,2.0,CC(=O)OC1CC2CC1C1CCCC21,3.483301952358167,"Octahydro-4,7-methano-1H-inden-5-yl acetate"
CC(=O)OC1CC2CCCCC2CC1,6251.0,4.0,2.0,0.0,196.28999999999996,12.0,2.0,CC(=O)OC1CC2CCCCC2CC1,3.7959494989028033,Decahydro-2-naphthyl acetate
CC(=O)OC1CCC(CC1)C(C)(C)C,7500.0,4.0,2.0,0.0,198.30599999999995,12.0,2.0,CC(=O)OC1CCC(CC1)C(C)(C)C,3.8750612633917,4-tert-Butylcyclohexyl acetate
CC(=O)OC1CCC(CC1)N1CCCCC1,1950.0,4.0,2.0,0.0,225.3319999999999,13.0,2.0,CC(=O)OC1CCC(CC1)N1CCCCC1,3.290034611362518,"Cyclohexanol, 4-piperidino-, acetate (ester)"
CC(=O)OC1CCC(CC1)NCC1=CC=CC=C1N,3936.0,4.0,3.0,0.0,262.353,15.0,2.0,CC(=O)OC1CCC(CC1)NCC1=CC=CC=C1N,3.595055089759304,4-(((2-Aminophenyl)methyl)amino)cyclohexyl acetate
CC(=O)OC1CCC2C3CCC4CC(=O)C=C(C)C4(C)C3CCC12C,4000.0,4.0,2.0,0.0,344.4950000000001,22.0,3.0,CC(=O)OC1CCC2C3CCC4CC(=O)C=C(C)C4(C)C3CCC12C,3.6020599913279625,
CC(=O)OC1CCCCC1,6730.0,2.0,2.0,0.0,142.19799999999998,8.0,2.0,CC(=O)OC1CCCCC1,3.828015064223977,Cyclohexyl acetate
CC(=O)OC1CCCCC1C(C)(C)C,4600.0,4.0,2.0,0.0,198.306,12.0,2.0,CC(=O)OC1CCCCC1C(C)(C)C,3.662757831681574,2-tert-Butylcyclohexyl acetate
CC(=O)OC=C,2910.0,1.0,2.0,0.0,86.08999999999999,4.0,2.0,CC(=O)OC=C,3.4638929889859074,Vinyl acetate ethylene copolymer
CC(=O)OCC(=C)COC(C)=O,1150.0,4.0,2.0,0.0,172.17999999999998,8.0,4.0,CC(=O)OCC(=C)COC(C)=O,3.060697840353612,"2-Methylenepropane-1,3-diyl diacetate"
CC(=O)OCC(=O)C1(CCC2C3CC(C)C4=CC(=O)C=CC4(C)C3C(O)CC12C)OC(=O)CC,3500.0,4.0,1.0,0.0,472.5780000000002,27.0,7.0,CC(=O)OCC(=O)C1(CCC2C3CC(C)C4=CC(=O)C=CC4(C)C3C(O)CC12C)OC(=O)CC,3.5440680443502757,Methylprednisolone aceponate
CC(=O)OCC(=O)C1(CCC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC12C)OC(=O)CCC,4000.0,3.0,0.0,1.0,508.5580000000002,27.0,7.0,CC(=O)OCC(=O)C1(CCC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC12C)OC(=O)CCC,3.6020599913279625,Difluprednate
CC(=O)OCC(=O)C1(CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C)OC(=O)CCCC,4000.0,2.0,0.0,0.0,486.60500000000025,28.0,7.0,CC(=O)OCC(=O)C1(CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC12C)OC(=O)CCCC,3.6020599913279625,Prednisolone valerate acetate
CC(=O)OCC(=O)C1(O)CCC2C3CC(C)C4=CC(=O)C=CC4(C)C3C(O)CC12C,10000.0,4.0,1.0,0.0,416.5140000000002,24.0,6.0,CC(=O)OCC(=O)C1(O)CCC2C3CC(C)C4=CC(=O)C=CC4(C)C3C(O)CC12C,4.0,Methylprednisolone acetate
CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3(F)C(O)CC12C,1000.0,4.0,1.0,0.0,422.4930000000002,23.0,6.0,CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3(F)C(O)CC12C,3.0,Fludrocortisone acetate
CC(=O)OCC(=O)C12OC3(CCCC3)OC1CC1C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,3500.0,2.0,1.0,1.0,502.5790000000003,28.0,7.0,CC(=O)OCC(=O)C12OC3(CCCC3)OC1CC1C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C,3.5440680443502757,Amcinonide
CC(=O)OCC(=O)NCCCOC1=CC(CN2CCCCC2)=CC=C1,755.0,4.0,2.0,0.0,348.44300000000015,19.0,4.0,CC(=O)OCC(=O)NCCCOC1=CC(CN2CCCCC2)=CC=C1,2.8779469516291885,Roxatidine acetate
CC(=O)OCC(C)C1C=CC=CC=1,4300.0,4.0,2.0,0.0,178.23100000000002,11.0,2.0,CC(=O)OCC(C)C1C=CC=CC=1,3.6334684555795866,CERAPP_33905
CC(=O)OCC(C)OC(C)=O,10001.0,3.0,2.0,0.0,160.16899999999998,7.0,4.0,CC(=O)OCC(C)OC(C)=O,4.000043427276863,"Propane-1,2-diyl diacetate"
CC(=O)OCC1=CC=C(C=C1)C(C)C,1450.0,4.0,2.0,0.0,192.258,12.0,2.0,CC(=O)OCC1=CC=C(C=C1)C(C)C,3.161368002234975,4-Isopropylbenzyl acetate
CC(=O)OCC1=CC=C(C=C1)OC,7500.0,4.0,2.0,0.0,180.203,10.0,3.0,CC(=O)OCC1=CC=C(C=C1)OC,3.8750612633917,4-Methoxybenzyl acetate
CC(=O)OCC1=CCC2CC1C2(C)C,2600.0,4.0,2.0,0.0,194.27399999999997,12.0,2.0,CC(=O)OCC1=CCC2CC1C2(C)C,3.4149733479708178,"Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-, 2-acetate, (1S,5R)-"
CC(=O)OCC1C=C2OCOC2=CC=1,2100.0,4.0,2.0,0.0,194.186,10.0,4.0,CC(=O)OCC1C=C2OCOC2=CC=1,3.322219294733919,Piperonyl acetate
CC(=O)OCC1C=CC=CC=1,2847.0,3.0,2.0,0.0,150.177,9.0,2.0,CC(=O)OCC1C=CC=CC=1,3.454387467146955,Benzyl acetate
CC(=O)OCC1CSC2C(N)C(=O)N2C=1C(O)=O,4751.0,3.0,3.0,0.0,272.28200000000004,10.0,5.0,CC(=O)OCC1CSC2C(N)C(=O)N2C=1C(O)=O,3.6767850304192056,"(6R-trans)-3-(Acetoxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, mono(toluene-p-sulphonate)"
CC(=O)OCC1CSC2C(NC(=O)C(=NOC)C3=CSC(N)=N3)C(=O)N2C=1C(O)=O,10001.0,3.0,1.0,2.0,455.47400000000016,16.0,7.0,CC(=O)OCC1CSC2C(NC(=O)C(=NOC)C3=CSC(N)=N3)C(=O)N2C=1C(O)=O,4.000043427276863,Cefotaxime
CC(=O)OCC1CSC2C(NC(=O)C(N)C3C=CC=CC=3)C(=O)N2C=1C(O)=O,10000.0,4.0,1.0,0.0,405.4320000000002,18.0,6.0,CC(=O)OCC1CSC2C(NC(=O)C(N)C3C=CC=CC=3)C(=O)N2C=1C(O)=O,4.0,Cephaloglycin
CC(=O)OCC1CSC2C(NC(=O)CC3=CC=CS3)C(=O)N2C=1C(O)=O,10000.0,4.0,2.0,0.0,396.4460000000001,16.0,6.0,CC(=O)OCC1CSC2C(NC(=O)CC3=CC=CS3)C(=O)N2C=1C(O)=O,4.0,Cephalothin
CC(=O)OCC1CSC2C(NC(=O)CSC3C=CN=CC=3)C(=O)N2C=1C(O)=O,10001.0,4.0,1.0,0.0,423.4720000000001,17.0,6.0,CC(=O)OCC1CSC2C(NC(=O)CSC3C=CN=CC=3)C(=O)N2C=1C(O)=O,4.000043427276863,Cephapirin
CC(=O)OCC1OC(COC(=O)C(C)C)(OC2OC(COC(C)=O)C(OC(=O)C(C)C)C(OC(=O)C(C)C)C2OC(=O)C(C)C)C(OC(=O)C(C)C)C1OC(=O)C(C)C,6251.0,1.0,1.0,3.0,846.9170000000001,40.0,19.0,CC(=O)OCC1OC(COC(=O)C(C)C)(OC2OC(COC(C)=O)C(OC(=O)C(C)C)C(OC(=O)C(C)C)C2OC(=O)C(C)C)C(OC(=O)C(C)C)C1OC(=O)C(C)C,3.7959494989028033,"Sucrose, diacetate hexaisobutyrate"
CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,3500.0,4.0,1.0,2.0,390.3410000000002,16.0,11.0,CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O,3.5440680443502757,".alpha.-D-Glucopyranose, 1,2,3,4,6-pentaacetate"
CC(=O)OCC=C,136.0,1.0,2.0,0.0,100.117,5.0,2.0,CC(=O)OCC=C,2.1335389083702174,Allyl acetate
CC(=O)OCC=CC1C=CC=CC=1,3300.0,4.0,2.0,0.0,176.215,11.0,2.0,CC(=O)OCC=CC1C=CC=CC=1,3.5185139398778875,3-Phenylprop-2-en-1-yl acetate
CC(=O)OCCC(C)CCCC(C)=C,7500.0,4.0,1.0,0.0,198.30599999999995,12.0,2.0,CC(=O)OCCC(C)CCCC(C)=C,3.8750612633917,CERAPP_27019
CC(=O)OCCC1C=CC=CC=1,4527.0,4.0,2.0,0.0,164.204,10.0,2.0,CC(=O)OCCC1C=CC=CC=1,3.655810494495252,2-Phenylethyl acetate
CC(=O)OCCC1CC2CC(C=1)C2(C)C,3000.0,4.0,2.0,0.0,208.30099999999996,13.0,2.0,CC(=O)OCCC1CC2CC(C=1)C2(C)C,3.4771212547196626,"2-(6,6-Dimethylbicyclo[3.1.1]hept-2-en-3-yl)ethyl acetate"
CC(=O)OCCC1CCCCC1,3200.0,4.0,2.0,0.0,170.25199999999995,10.0,2.0,CC(=O)OCCC1CCCCC1,3.505149978319906,2-Cyclohexylethyl acetate
CC(=O)OCCCC1C=CC=CC=1,4700.0,4.0,2.0,0.0,178.23100000000002,11.0,2.0,CC(=O)OCCCC1C=CC=CC=1,3.6720978579357175,3-Phenylpropyl acetate
CC(=O)OCCCCCCCCC=C,7500.0,4.0,1.0,0.0,198.306,12.0,2.0,CC(=O)OCCCCCCCCC=C,3.8750612633917,9-Decenyl acetate
CC(=O)OCCCCCCCCCOC(C)=O,7500.0,4.0,1.0,0.0,244.33099999999993,13.0,4.0,CC(=O)OCCCCCCCCCOC(C)=O,3.8750612633917,Nonanediyl diacetate
CC(=O)OCCCl,10.0,1.0,2.0,0.0,122.55100000000002,4.0,2.0,CC(=O)OCCCl,1.0,"Ethanol, 2-chloro-, acetate"
CC(=O)OCCN(CC)C1C=CC(=CC=1)N=NC1=NC2=CC=C(Cl)C=C2S1,3200.0,3.0,0.0,1.0,402.9070000000001,19.0,2.0,CC(=O)OCCN(CC)C1C=CC(=CC=1)N=NC1=NC2=CC=C(Cl)C=C2S1,3.505149978319906,"Ethanol, 2-[[4-[(6-chloro-2-benzothiazolyl)azo]phenyl]ethylamino]-, acetate (ester)"
CC(=O)OCCN(CCC#N)C1C=CC(=CC=1)N=NC1=NC2=CC=C(C=C2S1)[N+]([O-])=O,7500.0,4.0,0.0,0.0,438.46900000000016,20.0,4.0,CC(=O)OCCN(CCC#N)C1C=CC(=CC=1)N=NC1=NC2=CC=C(C=C2S1)[N+]([O-])=O,3.8750612633917,"Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[(6-nitro-2-benzothiazolyl)azo]phenyl]amino]-"
CC(=O)OCCN(CCC#N)C1C=CC(=CC=1)N=NC1C(Cl)=CC(=CC=1Cl)[N+]([O-])=O,5500.0,3.0,0.0,1.0,450.28200000000015,19.0,4.0,CC(=O)OCCN(CCC#N)C1C=CC(=CC=1)N=NC1C(Cl)=CC(=CC=1Cl)[N+]([O-])=O,3.7403626894942437,"Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]amino]-"
CC(=O)OCCN(CCC#N)C1C=CC(=CC=1)N=NC1C=CC(=CC=1Cl)[N+]([O-])=O,6425.0,4.0,0.0,0.0,415.8370000000001,19.0,4.0,CC(=O)OCCN(CCC#N)C1C=CC(=CC=1)N=NC1C=CC(=CC=1Cl)[N+]([O-])=O,3.807873132003332,"Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[(2-chloro-4-nitrophenyl)azo]phenyl]amino]-"
CC(=O)OCCN(CCC#N)C1C=CC=CC=1,2070.0,4.0,2.0,0.0,232.28300000000004,13.0,2.0,CC(=O)OCCN(CCC#N)C1C=CC=CC=1,3.315970345456918,"Propanenitrile, 3-[[2-(acetyloxy)ethyl]phenylamino]-, monoacetate"
CC(=O)OCCN(CCOC(C)=O)C1C=CC(=CC=1)N=NC1C=CC(=CC=1C#N)[N+]([O-])=O,7500.0,4.0,0.0,0.0,439.42800000000017,21.0,6.0,CC(=O)OCCN(CCOC(C)=O)C1C=CC(=CC=1)N=NC1C=CC(=CC=1C#N)[N+]([O-])=O,3.8750612633917,Disperse Red 82
CC(=O)OCCN(CCOC(C)=O)C1C=CC(=CC=1)N=NC1SC(=CC=1[N+]([O-])=O)[N+]([O-])=O,4500.0,4.0,0.0,2.0,465.4440000000002,18.0,8.0,CC(=O)OCCN(CCOC(C)=O)C1C=CC(=CC=1)N=NC1SC(=CC=1[N+]([O-])=O)[N+]([O-])=O,3.6532125137753435,"Ethanol, 2,2'-[[4-[(3,5-dinitro-2-thienyl)azo]phenyl]imino]bis-, diacetate (ester)"
CC(=O)OCCN(CCOC(C)=O)C1C=CC=CC=1,2150.0,4.0,2.0,0.0,265.309,14.0,4.0,CC(=O)OCCN(CCOC(C)=O)C1C=CC=CC=1,3.3324384599156054,"Ethanol, 2,2'-(phenylimino)bis-, diacetate (ester)"
CC(=O)OCCO,8250.0,0.0,2.0,0.0,104.105,4.0,3.0,CC(=O)OCCO,3.916453948549925,CERAPP_27830
CC(=O)OCCOC(=O)CCCCCCCCCCCCCCCCC,4915.0,3.0,0.0,1.0,370.5740000000001,22.0,4.0,CC(=O)OCCOC(=O)CCCCCCCCCCCCCCCCC,3.6915235221681546,Acetylated glycol stearate
CC(=O)OCCOC(C)=O,6857.0,2.0,2.0,0.0,146.142,6.0,4.0,CC(=O)OCCOC(C)=O,3.8361341494653747,"1,2-Ethanediol diacetate"
CC(=O)OCCOCCOCCOC(C)=O,10001.0,4.0,1.0,0.0,234.24799999999996,10.0,6.0,CC(=O)OCCOCCOCCOC(C)=O,4.000043427276863,Triethylene glycol diacetate
CC(=O)OCC[N+](C)(C)C,2500.0,2.0,2.0,0.0,146.21,7.0,2.0,CC(=O)OCC[N+](C)(C)C,3.3979400086720375,Acetylcholine
CC(=O)OO,185.0,1.0,2.0,0.0,76.051,2.0,3.0,CC(=O)OO,2.2671717284030137,"Ethaneperoxoic acid, sodium salt (1:1)"
CC(=O)OOC(C)(C)C,2562.0,2.0,2.0,0.0,132.159,6.0,3.0,CC(=O)OOC(C)(C)C,3.4085791254086675,tert-Butyl peroxyacetate
CC(=O)SC1CC2=CC(=O)CCC2(C)C2CCC3(C)C(CCC43CCC(=O)O4)C21,1000.0,4.0,1.0,0.0,416.58300000000025,24.0,4.0,CC(=O)SC1CC2=CC(=O)CCC2(C)C2CCC3(C)C(CCC43CCC(=O)O4)C21,3.0,Spironolactone
CC(=O)SCC(=O)/N=C1NC2=CC=CC=C2S1,400.0,4.0,3.0,0.0,266.347,11.0,2.0,CC(=O)SCC(=O)/N=C1NC2=CC=CC=C2S1,2.6020599913279625,"Ethanethioic acid, S-[2-(2-benzothiazolylamino)-2-oxoethyl] ester"
CC(=O)SCC(C)C(=O)N1CCCC1C(=O)NC(CC1C=CC=CC=1)C(O)=O,7500.0,4.0,1.0,0.0,406.5040000000001,20.0,5.0,CC(=O)SCC(C)C(=O)N1CCCC1C(=O)NC(CC1C=CC=CC=1)C(O)=O,3.8750612633917,Alacepril
CC(=O)SCC[N+](C)(C)C,100.0,4.0,2.0,0.0,162.278,7.0,1.0,CC(=O)SCC[N+](C)(C)C,2.0,"Ethanaminium, 2-(acetylthio)-N,N,N-trimethyl-, iodide (1:1)"
CC(=S)NC1C=CC=CC=1,2635.0,2.0,2.0,0.0,151.23399999999998,8.0,0.0,CC(=S)NC1C=CC=CC=1,3.4207806195485655,Thioacetanilide
CC(Br)C(=O)Br,854.0,2.0,2.0,0.0,215.872,3.0,1.0,CC(Br)C(=O)Br,2.931457870689005,CERAPP_27963
CC(Br)CBr,741.0,2.0,2.0,0.0,201.889,3.0,0.0,CC(Br)CBr,2.869818207979328,CERAPP_50597
CC(C#C)N(C(=O)CCl)C1C=CC=CC=1,1170.0,4.0,2.0,0.0,221.68700000000004,12.0,1.0,CC(C#C)N(C(=O)CCl)C1C=CC=CC=1,3.0681858617461617,Prynachlor
CC(C#C)N(C)C(=O)NC1C=CC(Cl)=CC=1,1791.0,4.0,2.0,0.0,236.70200000000003,12.0,1.0,CC(C#C)N(C)C(=O)NC1C=CC(Cl)=CC=1,3.2530955858490316,Buturon
CC(C#C)OC(=O)NC1C=CC=C(Cl)C=1,2380.0,4.0,2.0,0.0,223.659,11.0,2.0,CC(C#C)OC(=O)NC1C=CC=C(Cl)C=1,3.376576957056512,Chlorbufam
CC(C(=N)O)(C1C=CC=CC=1)C1C=CC(N)=CC=1,1600.0,4.0,2.0,0.0,240.306,15.0,1.0,CC(C(=N)O)(C1C=CC=CC=1)C1C=CC(N)=CC=1,3.2041199826559246,
CC(C(=O)C1C=CC=CC=1)N(CC)CC,400.0,4.0,1.0,0.0,205.301,13.0,1.0,CC(C(=O)C1C=CC=CC=1)N(CC)CC,2.6020599913279625,Diethylpropion
CC(C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1)[N+]([O-])=O,750.0,4.0,2.0,0.0,310.18000000000006,15.0,2.0,CC(C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1)[N+]([O-])=O,2.8750612633917,"2-Nitro-1,1-bis(para-chlorophenyl)propane"
CC(C(O)=O)C1=CC(Cl)=C(C=C1)N1CC=CC1,351.0,4.0,3.0,0.0,251.71299999999997,13.0,2.0,CC(C(O)=O)C1=CC(Cl)=C(C=C1)N1CC=CC1,2.545307116465824,Pirprofen
CC(C(O)=O)C1=CC2=C(C=C1)OC1=CC=CC=C1CC2=O,106.0,4.0,3.0,0.0,282.295,17.0,4.0,CC(C(O)=O)C1=CC2=C(C=C1)OC1=CC=CC=C1CC2=O,2.0253058652647704,
CC(C(O)=O)C1=CC2CC(=O)C3C=CC=CC=3SC=2C=C1,425.0,4.0,2.0,0.0,298.363,17.0,3.0,CC(C(O)=O)C1=CC2CC(=O)C3C=CC=CC=3SC=2C=C1,2.6283889300503116,Zaltoprofen
CC(C(O)=O)C1=CC2CC3=CC=CN=C3OC=2C=C1,59.5,4.0,3.0,0.0,255.27299999999997,15.0,3.0,CC(C(O)=O)C1=CC2CC3=CC=CN=C3OC=2C=C1,1.7745169657285496,Pranoprofen
CC(C(O)=O)C1=CC2NC3C=CC(Cl)=CC=3C=2C=C1,74.0,4.0,2.0,0.0,273.719,15.0,2.0,CC(C(O)=O)C1=CC2NC3C=CC(Cl)=CC=3C=2C=C1,1.8692317197309762,Carprofen
CC(C(O)=O)C1=CC=C(S1)C(=O)C1C=CC=CC=1,181.0,4.0,3.0,0.0,260.31399999999996,14.0,3.0,CC(C(O)=O)C1=CC=C(S1)C(=O)C1C=CC=CC=1,2.2576785748691846,Tiaprofenic acid
CC(C(O)=O)C1C=C(F)C(=CC=1)C1C=CC=CC=1,117.0,4.0,1.0,0.0,244.265,15.0,2.0,CC(C(O)=O)C1C=C(F)C(=CC=1)C1C=CC=CC=1,2.0681858617461617,Flurbiprofen
CC(C(O)=O)C1C=C2N=C(OC2=CC=1)C1C=CC(Cl)=CC=1,118.0,4.0,2.0,0.0,301.729,16.0,3.0,CC(C(O)=O)C1C=C2N=C(OC2=CC=1)C1C=CC(Cl)=CC=1,2.0718820073061255,Benoxaprofen
CC(C(O)=O)C1C=CC(=CC=1)C(=O)C1=CC=CS1,70.6,4.0,3.0,0.0,260.31399999999996,14.0,3.0,CC(C(O)=O)C1C=CC(=CC=1)C(=O)C1=CC=CS1,1.8488047010518038,Suprofen
CC(C(O)=O)C1C=CC(=CC=1)N1CC2=CC=CC=C2C1=O,84.0,4.0,3.0,0.0,281.311,17.0,3.0,CC(C(O)=O)C1C=CC(=CC=1)N1CC2=CC=CC=C2C1=O,1.9242792860618816,Indoprofen
CC(C(O)=O)C1C=CC(=CC=1)N1CC2CC=CCC=2C1=O,328.0,4.0,3.0,0.0,283.32699999999994,17.0,3.0,CC(C(O)=O)C1C=CC(=CC=1)N1CC2CC=CCC=2C1=O,2.515873843711679,
CC(C(O)=O)C1C=CC=C(C=1)C(=O)C1C=CC=CC=1,62.0,4.0,3.0,0.0,254.285,16.0,3.0,CC(C(O)=O)C1C=CC=C(C=1)C(=O)C1C=CC=CC=1,1.792391689498254,Ketoprofen
CC(C(O)=O)N(CC(O)=O)CC(O)=O,3500.0,3.0,2.0,0.0,205.166,7.0,6.0,CC(C(O)=O)N(CC(O)=O)CC(O)=O,3.5440680443502757,"N,N-Bis(carboxymethyl)alanine"
CC(C(OC)OC)C1C=CC=CC=1,1850.0,4.0,2.0,0.0,180.247,11.0,2.0,CC(C(OC)OC)C1C=CC=CC=1,3.2671717284030137,2-Phenylpropionaldehyde dimethyl acetal
CC(C)(Br)C(=O)Br,838.0,2.0,2.0,0.0,229.899,4.0,1.0,CC(C)(Br)C(=O)Br,2.9232440186302764,2-Bromo-2-methylpropionyl bromide
CC(C)(C#C)NC(=O)C1C=C(Cl)C=C(Cl)C=1,6550.0,4.0,3.0,0.0,256.132,12.0,1.0,CC(C)(C#C)NC(=O)C1C=C(Cl)C=C(Cl)C=1,3.816241299991783,Propyzamide
CC(C)(C#N)C(C)(C)C#N,38.8,2.0,2.0,0.0,136.19799999999998,8.0,0.0,CC(C)(C#N)C(C)(C)C#N,1.5888317255942073,Tetramethylsuccinonitrile
CC(C)(C#N)N=NC(C)(C)C#N,544.0,4.0,2.0,0.0,164.21200000000002,8.0,0.0,CC(C)(C#N)N=NC(C)(C)C#N,2.73559889969818,"2,2'-Azobis(2-methylpropanenitrile)"
CC(C)(C#N)NC(=O)CSP(=O)(OCC)OCC,3.5,4.0,2.0,0.0,294.31300000000005,10.0,4.0,CC(C)(C#N)NC(=O)CSP(=O)(OCC)OCC,0.5440680443502757,Cyanthoate
CC(C)(C#N)NC1N=C(NC2CC2)N=C(Cl)N=1,290.0,4.0,3.0,0.0,252.709,10.0,0.0,CC(C)(C#N)NC1N=C(NC2CC2)N=C(Cl)N=1,2.462397997898956,Procyazine
CC(C)(C(=O)C1=CN=CC=C1)C1=CN=CC=C1,521.0,4.0,2.0,0.0,226.279,14.0,1.0,CC(C)(C(=O)C1=CN=CC=C1)C1=CN=CC=C1,2.7168377232995247,Metyrapone
CC(C)(C)C#C,2751.0,1.0,2.0,0.0,82.14599999999999,6.0,0.0,CC(C)(C)C#C,3.4394905903896835,"3,3-Dimethylbutyne"
CC(C)(C)C(=O)C(Cl)Cl,1300.0,2.0,2.0,0.0,169.051,6.0,1.0,CC(C)(C)C(=O)C(Cl)Cl,3.113943352306837,"1,1-Dichloro-3,3-dimethylbutan-2-one"
CC(C)(C)C(=O)C(OC1C=CC(Cl)=CC=1)N1C=NC=C1,400.0,4.0,2.0,0.0,292.766,15.0,2.0,CC(C)(C)C(=O)C(OC1C=CC(Cl)=CC=1)N1C=NC=C1,2.6020599913279625,Climbazole
CC(C)(C)C(=O)C(OC1C=CC(Cl)=CC=1)N1C=NC=N1,192.0,4.0,3.0,0.0,293.754,14.0,2.0,CC(C)(C)C(=O)C(OC1C=CC(Cl)=CC=1)N1C=NC=N1,2.2833012287035497,Triadimefon
CC(C)(C)C(=O)C1C(=O)C2=CC=CC=C2C1=O,112.0,4.0,2.0,0.0,230.263,14.0,3.0,CC(C)(C)C(=O)C1C(=O)C2=CC=CC=C2C1=O,2.0492180226701815,Pindone
CC(C)(C)C(=O)CC#N,283.0,2.0,2.0,0.0,125.171,7.0,1.0,CC(C)(C)C(=O)CC#N,2.45178643552429,"Pentanenitrile, 4,4-dimethyl-3-oxo-"
CC(C)(C)C(=O)CCC1C(=O)N(C2C=CC=CC=2)N(C2C=CC=CC=2)C1=O,455.0,4.0,1.0,0.0,364.4450000000001,22.0,3.0,CC(C)(C)C(=O)CCC1C(=O)N(C2C=CC=CC=2)N(C2C=CC=CC=2)C1=O,2.6580113966571126,Tribuzone
CC(C)(C)C(=O)CCC1C=CC(Cl)=CC=1,3145.0,4.0,1.0,0.0,224.731,13.0,1.0,CC(C)(C)C(=O)CCC1C=CC(Cl)=CC=1,3.497620649781288,"1-(4-Chlorophenyl)-4,4-dimethyl-pentan-3-one"
CC(C)(C)C(=O)CCl,550.0,1.0,2.0,0.0,134.606,6.0,1.0,CC(C)(C)C(=O)CCl,2.7403626894942437,"1-Chloro-3,3-dimethyl-butan-2-one"
CC(C)(C)C(=O)COC1C=CC(Cl)=CC=1,4650.0,4.0,2.0,0.0,226.703,12.0,2.0,CC(C)(C)C(=O)COC1C=CC(Cl)=CC=1,3.667452952889954,"1-(4-Chlorophenoxy)-3,3-dimethylbutan-2-one"
CC(C)(C)C(=O)Cl,1470.0,1.0,2.0,0.0,120.579,5.0,1.0,CC(C)(C)C(=O)Cl,3.167317334748176,"2,2-Dimethylpropanoyl chloride"
CC(C)(C)C(=O)OC1C=CC(=CC=1OC(=O)C(C)(C)C)C(O)CNC,183.0,4.0,2.0,0.0,351.4430000000001,19.0,5.0,CC(C)(C)C(=O)OC1C=CC(=CC=1OC(=O)C(C)(C)C)C(O)CNC,2.2624510897304293,Dipivefrin hydrochloride
CC(C)(C)C(=O)OCC(=O)C1(O)C(C)CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC12C,3500.0,2.0,1.0,0.0,494.5750000000004,27.0,6.0,CC(C)(C)C(=O)OCC(=O)C1(O)C(C)CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC12C,3.5440680443502757,Flumethasone pivalate
CC(C)(C)C(=O)OCC(=O)C1C=CC=CC=1,10000.0,4.0,2.0,0.0,220.268,13.0,3.0,CC(C)(C)C(=O)OCC(=O)C1C=CC=CC=1,4.0,Pibecarb
CC(C)(C)C(=O)OCOC(=O)C1N2C(SC1(C)C)C(N=CN1CCCCCC1)C2=O,9500.0,4.0,2.0,0.0,439.5780000000003,21.0,5.0,CC(C)(C)C(=O)OCOC(=O)C1N2C(SC1(C)C)C(N=CN1CCCCCC1)C2=O,3.9777236052888476,Pivmecillinam
CC(C)(C)C(=O)OCOC(=O)C1N2C(SC1(C)C)C(NC(=O)C(N)C1C=CC=CC=1)C2=O,6000.0,4.0,1.0,0.0,463.55600000000015,22.0,6.0,CC(C)(C)C(=O)OCOC(=O)C1N2C(SC1(C)C)C(NC(=O)C(N)C1C=CC=CC=1)C2=O,3.7781512503836434,Pivampicillin
CC(C)(C)C(Br)/C(/O)=N/C(C)(C)C1C=CC=CC=1,7500.0,4.0,2.0,0.0,312.251,15.0,1.0,CC(C)(C)C(Br)/C(/O)=N/C(C)(C)C1C=CC=CC=1,3.8750612633917,Bromobutide
CC(C)(C)C(C)(O)C1CC23CCC1(OC)C1OC4C5=C(CC2N(CC2CC2)CCC351)C=CC=4O,1000.0,2.0,0.0,0.0,467.6500000000003,29.0,4.0,CC(C)(C)C(C)(O)C1CC23CCC1(OC)C1OC4C5=C(CC2N(CC2CC2)CCC351)C=CC=4O,3.0,Buprenorphine hydrochloride
CC(C)(C)C(C)C(C)(C)SSSC(C)(C)C(C)C(C)(C)C,10001.0,3.0,0.0,1.0,350.70300000000015,18.0,0.0,CC(C)(C)C(C)C(C)(C)SSSC(C)(C)C(C)C(C)(C)C,4.000043427276863,"Polysulfides, di-tert-nonyl"
CC(C)(C)C(C)NCCCCCCNC(C)C(C)(C)C,550.0,4.0,1.0,0.0,284.53200000000004,18.0,0.0,CC(C)(C)C(C)NCCCCCCNC(C)C(C)(C)C,2.7403626894942437,"1,6-Hexanediamine, N1,N6-bis(1,2,2-trimethylpropyl)-"
CC(C)(C)C(CSC)=NOC(=O)NC,8.5,4.0,2.0,0.0,218.32199999999995,9.0,2.0,CC(C)(C)C(CSC)=NOC(=O)NC,0.9294189257142927,Thiofanox
CC(C)(C)C(O)(CN1C=NC=N1)CCC1C=CC(Cl)=CC=1,2733.0,4.0,3.0,0.0,307.825,16.0,1.0,CC(C)(C)C(O)(CN1C=NC=N1)CCC1C=CC(Cl)=CC=1,3.436639631692661,Tebuconazole
CC(C)(C)C(O)=O,1450.0,1.0,2.0,0.0,102.13299999999998,5.0,2.0,CC(C)(C)C(O)=O,3.161368002234975,"2,2-Dimethylpropanoic acid"
CC(C)(C)C(O)C(=CC1C=CC(Cl)=CC=1)N1C=NC=N1,430.0,4.0,3.0,0.0,291.782,15.0,1.0,CC(C)(C)C(O)C(=CC1C=CC(Cl)=CC=1)N1C=NC=N1,2.6334684555795866,Uniconazole-P
CC(C)(C)C(O)C(=CC1C=CC(Cl)=CC=1Cl)N1C=NC=N1,474.0,4.0,2.0,0.0,326.22700000000003,15.0,1.0,CC(C)(C)C(O)C(=CC1C=CC(Cl)=CC=1Cl)N1C=NC=N1,2.6757783416740852,Diniconazole-M
CC(C)(C)C(O)C(CC1=CC=C(Cl)C=C1)N1C=NC=N1,1300.0,4.0,3.0,0.0,293.798,15.0,1.0,CC(C)(C)C(O)C(CC1=CC=C(Cl)C=C1)N1C=NC=N1,3.113943352306837,Paclobutrazol
CC(C)(C)C(O)C(OC1=CC=C(C=C1)C1=CC=CC=C1)N1C=NC=N1,7500.0,4.0,2.0,0.0,337.423,20.0,2.0,CC(C)(C)C(O)C(OC1=CC=C(C=C1)C1=CC=CC=C1)N1C=NC=N1,3.8750612633917,Bitertanol
CC(C)(C)C(O)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1,737.0,4.0,3.0,0.0,295.77,14.0,2.0,CC(C)(C)C(O)C(OC1=CC=C(Cl)C=C1)N1C=NC=N1,2.8674674878590514,Triadimenol
CC(C)(C)C(O)C=CC1=CC2OCOC=2C=C1,3000.0,4.0,2.0,0.0,234.29499999999996,14.0,3.0,CC(C)(C)C(O)C=CC1=CC2OCOC=2C=C1,3.4771212547196626,Stiripentol
CC(C)(C)C1=CC(=C(C=C1)OP(OC1=CC=C(C=C1C(C)(C)C)C(C)(C)C)OC1=CC=C(C=C1C(C)(C)C)C(C)(C)C)C(C)(C)C,6000.0,0.0,1.0,2.0,646.9370000000001,42.0,3.0,CC(C)(C)C1=CC(=C(C=C1)OP(OC1=CC=C(C=C1C(C)(C)C)C(C)(C)C)OC1=CC=C(C=C1C(C)(C)C)C(C)(C)C)C(C)(C)C,3.7781512503836434,"Phenol, 2,4-bis(1,1-dimethylethyl)-, phosphite (3:1)"
CC(C)(C)C1=CC(=C(C=C1C)OP(OC1C=C(C)C(=CC=1C(C)(C)C)C(C)(C)C)OC1C=C(C)C(=CC=1C(C)(C)C)C(C)(C)C)C(C)(C)C,3500.0,0.0,0.0,2.0,689.018,45.0,3.0,CC(C)(C)C1=CC(=C(C=C1C)OP(OC1C=C(C)C(=CC=1C(C)(C)C)C(C)(C)C)OC1C=C(C)C(=CC=1C(C)(C)C)C(C)(C)C)C(C)(C)C,3.5440680443502757,"Tris[2,4-di-tert-butyl)-5-methylphenyl] phosphite"
CC(C)(C)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C,1640.0,4.0,2.0,1.0,262.43699999999995,18.0,1.0,CC(C)(C)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C,3.214843848047698,"2,4,6-Tris(tert-butyl)phenol"
CC(C)(C)C1=CC(=C(O)C=C1)N1N=C2C=CC=CC2=N1,3500.0,4.0,3.0,0.0,267.332,16.0,1.0,CC(C)(C)C1=CC(=C(O)C=C1)N1N=C2C=CC=CC2=N1,3.5440680443502757,"Phenol, 2-(2H-benzotriazol-2-yl)-4-(1,1-dimethylethyl)-"
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(O)=O,1414.0,4.0,2.0,0.0,250.33799999999997,15.0,3.0,CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(O)=O,3.150449409460881,"Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, monopotassium salt"
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)C#N,87.0,4.0,2.0,0.0,282.387,18.0,1.0,CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)C#N,1.9395192526186185,Malonoben
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)NC1N=C(N=C(N=1)SCCCCCCCC)SCCCCCCCC,4000.0,0.0,0.0,2.0,588.9720000000001,33.0,1.0,CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)NC1N=C(N=C(N=1)SCCCCCCCC)SCCCCCCCC,3.6020599913279625,"4-{[4,6-Bis(octylsulfanyl)-1,3,5-triazin-2-yl]amino}-2,6-di-tert-butylphenol"
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)[N+]([O-])=O,250.0,4.0,2.0,0.0,251.32599999999996,14.0,3.0,CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)[N+]([O-])=O,2.3979400086720375,"2,6-Di-tert-butyl-4-nitrophenol"
CC(C)(C)C1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O,26.0,4.0,2.0,0.0,240.21499999999995,10.0,5.0,CC(C)(C)C1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O,1.414973347970818,Dinoterb
CC(C)(C)C1=CC(=CC2=C1OP(OC1C(=CC(=CC2=1)C(C)(C)C)C(C)(C)C)OCCN(CCOP1OC2C(=CC(=CC=2C2C=C(C=C(C=2O1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)CCOP1OC2C(=CC(=CC=2C2C=C(C=C(C=2O1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C,7500.0,0.0,0.0,2.0,1464.9659999999974,90.0,9.0,CC(C)(C)C1=CC(=CC2=C1OP(OC1C(=CC(=CC2=1)C(C)(C)C)C(C)(C)C)OCCN(CCOP1OC2C(=CC(=CC=2C2C=C(C=C(C=2O1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)CCOP1OC2C(=CC(=CC=2C2C=C(C=C(C=2O1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C,3.8750612633917,"Ethanamine, 2-[[2,4,8,10-tetrakis(1,1-dimethylethyl)dibenzo[d,f][1,3,2]dioxaphosphepin-6-yl]oxy]-N,N-bis[2-[[2,4,8,10-tetrakis(1,1-dimethylethyl)dibenzo[d,f][1,3,2]dioxaphosphepin-6-yl]oxy]ethyl]-"
CC(C)(C)C1=CC(=O)C(=CC1=O)C(C)(C)C,500.0,4.0,2.0,0.0,220.31199999999995,14.0,2.0,CC(C)(C)C1=CC(=O)C(=CC1=O)C(C)(C)C,2.6989700043360187,"2,5-Di-tert-butylcyclohexa-2,5-diene-1,4-dione"
CC(C)(C)C1=CC(C)=CC(CC2=CC(C)=CC(=C2O)C(C)(C)C)=C1O,8750.0,3.0,2.0,1.0,340.5070000000001,23.0,2.0,CC(C)(C)C1=CC(C)=CC(CC2=CC(C)=CC(=C2O)C(C)(C)C)=C1O,3.942008053022313,"2,2'-Methylenebis(4-methyl-6-tert-butylphenol)"
CC(C)(C)C1=CC(C)=CC(SC2=CC(C)=CC(=C2O)C(C)(C)C)=C1O,3500.0,3.0,1.0,1.0,358.54700000000014,22.0,2.0,CC(C)(C)C1=CC(C)=CC(SC2=CC(C)=CC(=C2O)C(C)(C)C)=C1O,3.5440680443502757,"2,2'-Thiobis[6-tert-butyl-p-cresol]"
CC(C)(C)C1=CC(C=C(C1=O)C(C)(C)C)=CC1C=CC=CC=1,6251.0,4.0,2.0,1.0,294.43800000000005,21.0,1.0,CC(C)(C)C1=CC(C=C(C1=O)C(C)(C)C)=CC1C=CC=CC=1,3.7959494989028033,"4-Benzylidene-2,6-di-tert-butylcyclohexa-2,5-dien-1-one"
CC(C)(C)C1=CC(CC)=CC(CC2C=C(CC)C=C(C=2O)C(C)(C)C)=C1O,10001.0,3.0,0.0,1.0,368.5610000000001,25.0,2.0,CC(C)(C)C1=CC(CC)=CC(CC2C=C(CC)C=C(C=2O)C(C)(C)C)=C1O,4.000043427276863,"2,2'-Methylenebis(ethyl-6-tert-butylphenol)"
CC(C)(C)C1=CC(CC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C,10001.0,1.0,1.0,1.0,424.6690000000002,29.0,2.0,CC(C)(C)C1=CC(CC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C,4.000043427276863,"4,4'-Methylenebis(2,6-di-t-butylphenol)"
CC(C)(C)C1=CC(CC2C(C)=C(CC3=CC(=C(O)C(=C3)C(C)(C)C)C(C)(C)C)C(C)=C(CC3=CC(=C(O)C(=C3)C(C)(C)C)C(C)(C)C)C=2C)=CC(=C1O)C(C)(C)C,1500.0,0.0,0.0,2.0,775.2149999999999,54.0,3.0,CC(C)(C)C1=CC(CC2C(C)=C(CC3=CC(=C(O)C(=C3)C(C)(C)C)C(C)(C)C)C(C)=C(CC3=CC(=C(O)C(=C3)C(C)(C)C)C(C)(C)C)C=2C)=CC(=C1O)C(C)(C)C,3.1760912590556813,Ionox 330
CC(C)(C)C1=CC(CCC(=O)NCCCCCCNC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C,6251.0,0.0,0.0,2.0,636.9620000000002,40.0,4.0,CC(C)(C)C1=CC(CCC(=O)NCCCCCCNC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C,3.7959494989028033,Antioxidant 1098
CC(C)(C)C1=CC(CCC(=O)NCCCNC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C,10000.0,0.0,0.0,2.0,594.8810000000003,37.0,4.0,CC(C)(C)C1=CC(CCC(=O)NCCCNC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C,4.0,"N-[2-(3,5-Di-tert-butyl-4-hydroxyphenyl)ethyl]-5-{[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propanoyl]amino}pentanamide"
CC(C)(C)C1=CC(CCC(=O)NNC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C,7000.0,0.0,0.0,2.0,552.8000000000004,34.0,4.0,CC(C)(C)C1=CC(CCC(=O)NNC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C,3.845098040014257,"Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2-[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropyl]hydrazide"
CC(C)(C)C1=CC(CCC(=O)OCC(COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)(COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C,6876.0,0.0,0.0,4.0,1177.6549999999988,73.0,12.0,CC(C)(C)C1=CC(CCC(=O)OCC(COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)(COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)COC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C,3.837335868015015,Irganox 1010
CC(C)(C)C1=CC(CCC(=O)OCCCCCCOC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C,7500.0,0.0,0.0,2.0,638.9300000000002,40.0,6.0,CC(C)(C)C1=CC(CCC(=O)OCCCCCCOC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C,3.8750612633917,"Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,6-hexanediyl ester"
CC(C)(C)C1=CC(CCC(=O)OCCNC(=O)C(=O)NCCOC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C,10000.0,0.0,0.0,2.0,696.9260000000002,40.0,8.0,CC(C)(C)C1=CC(CCC(=O)OCCNC(=O)C(=O)NCCOC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C,4.0,"2,2'-Oxamidobis(ethyl 3-(3,5-di-tert- butyl-4-hydroxyphenyl)propionate)"
CC(C)(C)C1=CC(CCC(=O)OCCSCCOC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C,6900.0,0.0,0.0,2.0,642.9430000000002,38.0,6.0,CC(C)(C)C1=CC(CCC(=O)OCCSCCOC(=O)CCC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C,3.838849090737255,"Thioethylene glycol bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)"
CC(C)(C)C1=CC(CN(C)C)=CC(=C1O)C(C)(C)C,451.0,4.0,2.0,0.0,263.42499999999995,17.0,1.0,CC(C)(C)C1=CC(CN(C)C)=CC(=C1O)C(C)(C)C,2.6541765418779604,"2,6-Di-tert-butyl-.alpha.-dimethylamino-p-cresol hydrochloride"
CC(C)(C)C1=CC(CN2C(=O)N(CC3=CC(=C(O)C(=C3)C(C)(C)C)C(C)(C)C)C(=O)N(CC3=CC(=C(O)C(=C3)C(C)(C)C)C(C)(C)C)C2=O)=CC(=C1O)C(C)(C)C,6251.0,0.0,0.0,2.0,784.095,48.0,6.0,CC(C)(C)C1=CC(CN2C(=O)N(CC3=CC(=C(O)C(=C3)C(C)(C)C)C(C)(C)C)C(=O)N(CC3=CC(=C(O)C(=C3)C(C)(C)C)C(C)(C)C)C2=O)=CC(=C1O)C(C)(C)C,3.7959494989028033,"1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-"
CC(C)(C)C1=CC(CO)=CC(=C1O)C(C)(C)C,7000.0,4.0,2.0,0.0,236.35499999999996,15.0,2.0,CC(C)(C)C1=CC(CO)=CC(=C1O)C(C)(C)C,3.845098040014257,di-tert-Butyl-4-hydroxymethyl phenol
CC(C)(C)C1=CC(COC)=CC(=C1O)C(C)(C)C,10001.0,4.0,2.0,0.0,250.382,16.0,2.0,CC(C)(C)C1=CC(COC)=CC(=C1O)C(C)(C)C,4.000043427276863,Ethyl 762
CC(C)(C)C1=CC(CP(=O)(OCC)OCC)=CC(=C1O)C(C)(C)C,7750.0,3.0,0.0,1.0,356.44300000000015,19.0,4.0,CC(C)(C)C1=CC(CP(=O)(OCC)OCC)=CC(=C1O)C(C)(C)C,3.88930170250631,"Phosphonic acid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, diethyl ester"
CC(C)(C)C1=CC(Cl)=CC(SC2C=C(Cl)C=C(C=2O)C(C)(C)C)=C1O,6100.0,3.0,1.0,1.0,399.3830000000002,20.0,2.0,CC(C)(C)C1=CC(Cl)=CC(SC2C=C(Cl)C=C(C=2O)C(C)(C)C)=C1O,3.785329835010767,"Phenol, 2,2'-thiobis(6-tert-butyl-4-chloro-"
CC(C)(C)C1=CC(O)=C(O)C=C1,819.0,4.0,2.0,0.0,166.21999999999997,10.0,2.0,CC(C)(C)C1=CC(O)=C(O)C=C1,2.9132839017604186,4-tert-Butylcatechol
CC(C)(C)C1=CC(O)=CC=C1O,738.0,4.0,2.0,0.0,166.21999999999997,10.0,2.0,CC(C)(C)C1=CC(O)=CC=C1O,2.8680563618230415,tert-Butylhydroquinone
CC(C)(C)C1=CC2=C(CCC2(C)C)C(=C1)C(C)=O,7500.0,4.0,1.0,0.0,244.37799999999993,17.0,1.0,CC(C)(C)C1=CC2=C(CCC2(C)C)C(=C1)C(C)=O,3.8750612633917,"1-(6-tert-Butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethanone"
CC(C)(C)C1=CC2N=C(OC=2C=C1)C1=CC=C(S1)C1=NC2C=C(C=CC=2O1)C(C)(C)C,10000.0,3.0,1.0,1.0,430.57300000000015,26.0,2.0,CC(C)(C)C1=CC2N=C(OC=2C=C1)C1=CC=C(S1)C1=NC2C=C(C=CC=2O1)C(C)(C)C,4.0,"2,5-Bis(5-tert-butylbenzoxazol-2-yl)thiophene"
CC(C)(C)C1=CC=C(C=C1)OC1CCCCC1OS(=O)OCC#C,2719.0,4.0,1.0,0.0,350.4800000000001,19.0,4.0,CC(C)(C)C1=CC=C(C=C1)OC1CCCCC1OS(=O)OCC#C,3.4344092075875,Propargite
CC(C)(C)C1=CC=C(CCC=O)C=C1,2700.0,4.0,2.0,0.0,190.28599999999997,13.0,1.0,CC(C)(C)C1=CC=C(CCC=O)C=C1,3.4313637641589874,3-(4-tert-Butylphenyl)propanal
CC(C)(C)C1=CC=C(CCOC2=NC=NC3C=CC=CC=32)C=C1,136.0,4.0,2.0,0.0,306.409,20.0,1.0,CC(C)(C)C1=CC=C(CCOC2=NC=NC3C=CC=CC=32)C=C1,2.1335389083702174,Fenazaquin
CC(C)(C)C1=CC=CC(=C1O)C(C)(C)C,7500.0,4.0,1.0,0.0,206.32899999999995,14.0,1.0,CC(C)(C)C1=CC=CC(=C1O)C(C)(C)C,3.8750612633917,"Phenol, 2,6-bis(1,1-dimethylethyl)-, potassium salt"
CC(C)(C)C1=NN(C(=O)O1)C1=CC(OCC#C)=C(Cl)C=C1Cl,7500.0,4.0,3.0,0.0,341.19399999999996,15.0,3.0,CC(C)(C)C1=NN(C(=O)O1)C1=CC(OCC#C)=C(Cl)C=C1Cl,3.8750612633917,Oxadiargyl
CC(C)(C)C1=NN=C(NS(=O)(=O)C2C=CC=CC=2)S1,500.0,4.0,3.0,0.0,297.40500000000003,12.0,2.0,CC(C)(C)C1=NN=C(NS(=O)(=O)C2C=CC=CC=2)S1,2.6989700043360187,Glybuzole
CC(C)(C)C1C=C(C)C(CC#N)=C(C)C=1O,2751.0,4.0,2.0,0.0,217.312,14.0,1.0,CC(C)(C)C1C=C(C)C(CC#N)=C(C)C=1O,3.4394905903896835,"4-tert-butyl-3-hydroxy-2,6-xylylacetonitrile"
CC(C)(C)C1C=C(C)C(CN2C(=O)N(CC3=C(C)C(O)=C(C=C3C)C(C)(C)C)C(=O)N(CC3=C(C)C(O)=C(C=C3C)C(C)(C)C)C2=O)=C(C)C=1O,4376.0,0.0,0.0,2.0,699.9330000000002,42.0,6.0,CC(C)(C)C1C=C(C)C(CN2C(=O)N(CC3=C(C)C(O)=C(C=C3C)C(C)(C)C)C(=O)N(CC3=C(C)C(O)=C(C=C3C)C(C)(C)C)C2=O)=C(C)C=1O,3.641077313325374,"1,3,5-Tris(4-tert-butyl-3-hydroxy-2,6-dimethylbenzyl)-1,3,5-triazinane-2,4,6-trione"
CC(C)(C)C1C=C(C)C=C(C=1OP1COC2(COP(OC3C(=CC(C)=CC=3C(C)(C)C)C(C)(C)C)OC2)OC1)C(C)(C)C,6251.0,0.0,1.0,2.0,632.7590000000001,35.0,6.0,CC(C)(C)C1C=C(C)C=C(C=1OP1COC2(COP(OC3C(=CC(C)=CC=3C(C)(C)C)C(C)(C)C)OC2)OC1)C(C)(C)C,3.7959494989028033,"3,9-Bis(2,6-di-tert-butyl-4-methylphenoxy)-1,5,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane"
CC(C)(C)C1C=C(C=C(C)C=1O)SC1C=C(C)C(O)=C(C=1)C(C)(C)C,6340.0,3.0,1.0,1.0,358.54700000000014,22.0,2.0,CC(C)(C)C1C=C(C=C(C)C=1O)SC1C=C(C)C(O)=C(C=1)C(C)(C)C,3.802089257881733,"4,4'-Thiobis[2-tert-butyl-6-methylphenol]"
CC(C)(C)C1C=C(C=C(C2=CC(=CC(=C2O)C(C)(C)C)C(C)(C)C)C=1O)C(C)(C)C,3500.0,1.0,1.0,1.0,410.64200000000017,28.0,2.0,CC(C)(C)C1C=C(C=C(C2=CC(=CC(=C2O)C(C)(C)C)C(C)(C)C)C=1O)C(C)(C)C,3.5440680443502757,"[1,1'-Biphenyl]-2,2'-diol, 3,3',5,5'-tetrakis(1,1-dimethylethyl)-"
CC(C)(C)C1C=C(C=C(C=1)C(C)(C)C)C1C(=O)C2=CC=CC=C2C1=O,194.0,4.0,2.0,1.0,334.4590000000001,23.0,2.0,CC(C)(C)C1C=C(C=C(C=1)C(C)(C)C)C1C(=O)C2=CC=CC=C2C1=O,2.287801729930226,"1H-INDENE-1,3(2H)-DIONE, 2-[3,5-BIS(1,1-DIMETHYL"
CC(C)(C)C1C=C(C=C(C=1O)C(C)(C)C)C(=O)OC1=CC=C(C=C1C1C2C=C(C=CC=2OC1=O)C(C)(C)C)C(C)(C)C,7500.0,0.0,1.0,2.0,570.7700000000002,37.0,5.0,CC(C)(C)C1C=C(C=C(C=1O)C(C)(C)C)C(=O)OC1=CC=C(C=C1C1C2C=C(C=CC=2OC1=O)C(C)(C)C)C(C)(C)C,3.8750612633917,"Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 4-(1,1-dimethylethyl)-2-[5-(1,1-dimethylethyl)-2,3-dihydro-2-oxo-3-benzofuranyl]phenyl ester"
CC(C)(C)C1C=C(C=C(C=1O)C(C)(C)C)C(=O)OC1C=CC(=CC=1C(C)(C)C)C(C)(C)C,10000.0,1.0,1.0,1.0,438.6520000000002,29.0,3.0,CC(C)(C)C1C=C(C=C(C=1O)C(C)(C)C)C(=O)OC1C=CC(=CC=1C(C)(C)C)C(C)(C)C,4.0,"Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2,4-bis(1,1-dimethylethyl)phenyl ester"
CC(C)(C)C1C=C(C=C2CC3=CC(=CC(=C3OP(O)(=O)OC=12)C(C)(C)C)C(C)(C)C)C(C)(C)C,2751.0,0.0,1.0,1.0,486.6330000000003,29.0,4.0,CC(C)(C)C1C=C(C=C2CC3=CC(=CC(=C3OP(O)(=O)OC=12)C(C)(C)C)C(C)(C)C)C(C)(C)C,3.4394905903896835,"12H-Dibenzo[d,g][1,3,2]dioxaphosphocin, 2,4,8,10-tetrakis(1,1-dimethylethyl)-6-hydroxy-, 6-oxide, sodium salt"
CC(C)(C)C1C=C(C=CC=1O)C(C)(C)C,2626.0,4.0,1.0,0.0,206.32899999999995,14.0,1.0,CC(C)(C)C1C=C(C=CC=1O)C(C)(C)C,3.4192947217534604,"2,4-Di-tert-butylphenol"
CC(C)(C)C1C=C(C=CC=1OP1OCC2(COP(OC3C=CC(=CC=3C(C)(C)C)C(C)(C)C)OC2)CO1)C(C)(C)C,6540.0,0.0,1.0,2.0,604.705,33.0,6.0,CC(C)(C)C1C=C(C=CC=1OP1OCC2(COP(OC3C=CC(=CC=3C(C)(C)C)C(C)(C)C)OC2)CO1)C(C)(C)C,3.815577748324267,"Bis(2,4-di-tert-butylphenyl) pentaerythritol diphosphite"
CC(C)(C)C1C=C(CCC(=O)NCCN)C=C(C=1O)C(C)(C)C,1560.0,4.0,3.0,0.0,320.47700000000003,19.0,2.0,CC(C)(C)C1C=C(CCC(=O)NCCN)C=C(C=1O)C(C)(C)C,3.1931245983544616,"Benzenepropanamide, N-(2-aminoethyl)-3,5-bis(1,1-dimethylethyl)-4-hydroxy-"
CC(C)(C)C1C=C(CCC(=O)OC)C=C(C=1O)C(C)(C)C,3058.0,4.0,2.0,0.0,292.41900000000004,18.0,3.0,CC(C)(C)C1C=C(CCC(=O)OC)C=C(C=1O)C(C)(C)C,3.485437481076301,"Methyl 3,5-bis(tert-butyl)-4-hydroxyhydrocinnamate"
CC(C)(C)C1C=C(O)C(=CC=1O)C(C)(C)C,175.0,4.0,1.0,0.0,222.32799999999995,14.0,2.0,CC(C)(C)C1C=C(O)C(=CC=1O)C(C)(C)C,2.2430380486862944,"2,5-Di-tert-butylbenzene-1,4-diol"
CC(C)(C)C1C=C2N=C(OC2=CC=1)C1C=CC(C=CC2C=CC(=CC=2)C2C=CC=CC=2)=CC=1,7500.0,2.0,1.0,1.0,429.5630000000001,31.0,1.0,CC(C)(C)C1C=C2N=C(OC2=CC=1)C1C=CC(C=CC2C=CC(=CC=2)C2C=CC=CC=2)=CC=1,3.8750612633917,"Benzoxazole, 2-[4-(2-[1,1'-biphenyl]-4-ylethenyl)phenyl]-5-(1,1-dimethylethyl)-"
CC(C)(C)C1C=CC(=CC=1)C(=O)CCCN1CCC(CC1)OC(C1C=CC=CC=1)C1C=CC=CC=1,4000.0,1.0,0.0,1.0,469.6690000000001,32.0,2.0,CC(C)(C)C1C=CC(=CC=1)C(=O)CCCN1CCC(CC1)OC(C1C=CC=CC=1)C1C=CC=CC=1,3.6020599913279625,Ebastine
CC(C)(C)C1C=CC(=CC=1)C(O)=O,705.0,4.0,2.0,0.0,178.231,11.0,2.0,CC(C)(C)C1C=CC(=CC=1)C(O)=O,2.848189116991399,"Benzoic acid, 4-(1,1-dimethylethyl)-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)"
CC(C)(C)C1C=CC(=CC=1)C(O)CCCN1CCC(CC1)C(O)(C1C=CC=CC=1)C1C=CC=CC=1,3110.0,1.0,0.0,1.0,471.6850000000001,32.0,2.0,CC(C)(C)C1C=CC(=CC=1)C(O)CCCN1CCC(CC1)C(O)(C1C=CC=CC=1)C1C=CC=CC=1,3.4927603890268375,Terfenadine
CC(C)(C)C1C=CC(=CC=1)NC1=CC=C(NC2C=CC(=CC=2)C(C)(C)C)C2=C1C(=O)C1C(C2=O)=C(O)C=CC=1O,10001.0,0.0,1.0,2.0,534.6560000000004,34.0,4.0,CC(C)(C)C1C=CC(=CC=1)NC1=CC=C(NC2C=CC(=CC=2)C(C)(C)C)C2=C1C(=O)C1C(C2=O)=C(O)C=CC=1O,4.000043427276863,"9,10-Anthracenedione, 1,4-bis[[4-(1,1-dimethylethyl)phenyl]amino]-5,8-dihydroxy-"
CC(C)(C)C1C=CC(=CC=1)OCC1CO1,2751.0,4.0,2.0,0.0,206.28499999999997,13.0,2.0,CC(C)(C)C1C=CC(=CC=1)OCC1CO1,3.4394905903896835,tert-Butyl phenyl glycidyl ether
CC(C)(C)C1C=CC(=CC=1)OP(=O)(OC1C=CC=CC=1)OC1C=CC=CC=1,10001.0,3.0,1.0,1.0,382.3960000000001,22.0,4.0,CC(C)(C)C1C=CC(=CC=1)OP(=O)(OC1C=CC=CC=1)OC1C=CC=CC=1,4.000043427276863,p-tert-Butylphenyl diphenyl phosphate
CC(C)(C)C1C=CC(=CC=1)SP(=S)(CC)OCC,141.0,4.0,2.0,1.0,302.44500000000005,14.0,1.0,CC(C)(C)C1C=CC(=CC=1)SP(=S)(CC)OCC,2.1492191126553797,S-(p-tert-Butylphenyl) O-ethyl ethylphosphonodithioate
CC(C)(C)C1C=CC(C=O)=CC=1,1100.0,4.0,2.0,0.0,162.23199999999997,11.0,1.0,CC(C)(C)C1C=CC(C=O)=CC=1,3.041392685158225,4-tert-Butylbenzaldehyde
CC(C)(C)C1C=CC(O)=CC=1,3903.0,3.0,2.0,0.0,150.22099999999998,10.0,1.0,CC(C)(C)C1C=CC(O)=CC=1,3.5913985512812485,4-tert-Butylphenol formaldehyde resin
CC(C)(C)C1C=CC2CCC(C)(C)C=2C=1,10001.0,4.0,1.0,0.0,202.34099999999995,15.0,0.0,CC(C)(C)C1C=CC2CCC(C)(C)C=2C=1,4.000043427276863,"1H-Indene, 6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-"
CC(C)(C)C1C=CC=CC=1,3045.0,3.0,2.0,0.0,134.22199999999998,10.0,0.0,CC(C)(C)C1C=CC=CC=1,3.4835872969688944,tert-Butylbenzene
CC(C)(C)C1C=CC=CC=1O,862.0,3.0,2.0,0.0,150.22099999999998,10.0,1.0,CC(C)(C)C1C=CC=CC=1O,2.9355072658247128,2-tert-Butylphenol
CC(C)(C)C1CCC(=O)CC1,2806.0,3.0,2.0,0.0,154.25299999999996,10.0,1.0,CC(C)(C)C1CCC(=O)CC1,3.448087666692341,4-tert-Butylcyclohexanone
CC(C)(C)C1CCC(CC1)OC(=O)Cl,6056.0,4.0,1.0,0.0,218.72399999999996,11.0,2.0,CC(C)(C)C1CCC(CC1)OC(=O)Cl,3.7821858664920165,4-tert-Butylcyclohexyl chloroformate
CC(C)(C)C1CCC(CC1)OC(=O)OOC(=O)OC1CCC(CC1)C(C)(C)C,6251.0,3.0,1.0,1.0,398.5400000000003,22.0,6.0,CC(C)(C)C1CCC(CC1)OC(=O)OOC(=O)OC1CCC(CC1)C(C)(C)C,3.7959494989028033,"Peroxydicarbonic acid, C,C'-bis[4-(1,1-dimethylethyl)cyclohexyl] ester"
CC(C)(C)C1CCC(CC2C(=O)C(=O)C3C=CC=CC=3C2=O)CC1,3500.0,4.0,2.0,0.0,326.43600000000015,21.0,3.0,CC(C)(C)C1CCC(CC2C(=O)C(=O)C3C=CC=CC=3C2=O)CC1,3.5440680443502757,Buparvaquone
CC(C)(C)C1CCC(O)CC1,4109.0,3.0,2.0,0.0,156.26899999999995,10.0,1.0,CC(C)(C)C1CCC(O)CC1,3.6137361412618714,4-tert-Butylcyclohexanol
CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC,485.0,4.0,2.0,0.0,297.48300000000006,18.0,2.0,CC(C)(C)C1CCC2(CC1)OC(CO2)CN(CCC)CC,2.6857417386022635,Spiroxamine
CC(C)(C)CC(=O)OC1=C(C2C(C)=CC(C)=CC=2C)C(=O)OC21CCCC2,2938.0,4.0,1.0,1.0,370.4890000000002,23.0,4.0,CC(C)(C)CC(=O)OC1=C(C2C(C)=CC(C)=CC=2C)C(=O)OC21CCCC2,3.4680517914542377,Spiromesifen
CC(C)(C)CC(C)(C)C1=CC(=C(O)C=C1)N1N=C2C=CC=CC2=N1,10000.0,4.0,2.0,0.0,323.44000000000005,20.0,1.0,CC(C)(C)CC(C)(C)C1=CC(=C(O)C=C1)N1N=C2C=CC=CC2=N1,4.0,Octrizole
CC(C)(C)CC(C)(C)C1=CC(C)=C(C=C1)OCCOCC[N+](C)(C)CC1C=CC=CC=1,800.0,1.0,0.0,1.0,426.6650000000002,28.0,2.0,CC(C)(C)CC(C)(C)C1=CC(C)=C(C=C1)OCCOCC[N+](C)(C)CC1C=CC=CC=1,2.9030899869919438,
CC(C)(C)CC(C)(C)C1=CC(CC2C=C(C=C(C=2O)N2N=C3C=CC=CC3=N2)C(C)(C)CC(C)(C)C)=C(O)C(=C1)N1N=C2C=CC=CC2=N1,3500.0,0.0,0.0,2.0,658.8910000000001,41.0,2.0,CC(C)(C)CC(C)(C)C1=CC(CC2C=C(C=C(C=2O)N2N=C3C=CC=CC3=N2)C(C)(C)CC(C)(C)C)=C(O)C(=C1)N1N=C2C=CC=CC2=N1,3.5440680443502757,Bisoctrizole
CC(C)(C)CC(C)(C)C1C=C(C(O)=C(C=1)N1N=C2C=CC=CC2=N1)C(C)(C)C1C=CC=CC=1,2751.0,2.0,0.0,1.0,441.6190000000002,29.0,1.0,CC(C)(C)CC(C)(C)C1C=C(C(O)=C(C=1)N1N=C2C=CC=CC2=N1)C(C)(C)C1C=CC=CC=1,3.4394905903896835,"Phenol, 2-(2H-benzotriazol-2-yl)-6-(1-methyl-1-phenylethyl)-4-(1,1,3,3-tetramethylbutyl)-"
CC(C)(C)CC(C)(C)C1C=C(CC2=CC=C(Cl)C=C2Cl)C(O)=CC=1,4000.0,3.0,1.0,1.0,365.3440000000001,21.0,1.0,CC(C)(C)CC(C)(C)C1C=C(CC2=CC=C(Cl)C=C2Cl)C(O)=CC=1,3.6020599913279625,Clofoctol
CC(C)(C)CC(C)(C)C1C=CC(=CC=1)NC1C=CC(=CC=1)C(C)(C)CC(C)(C)C,7500.0,1.0,0.0,1.0,393.65900000000016,28.0,0.0,CC(C)(C)CC(C)(C)C1C=CC(=CC=1)NC1C=CC(=CC=1)C(C)(C)CC(C)(C)C,3.8750612633917,"4,4'-bis(1,1,3,3-Tetramethylbutyl)diphenylamine"
CC(C)(C)CC(C)(C)C1C=CC(=CC=1)OCCOCC[N+](C)(C)CC1C=CC=CC=1,331.0,2.0,0.0,1.0,412.6380000000001,27.0,2.0,CC(C)(C)CC(C)(C)C1C=CC(=CC=1)OCCOCC[N+](C)(C)CC1C=CC=CC=1,2.519827993775719,Benzethonium (parent)
CC(C)(C)CC(C)(C)C1C=CC(=CC=1)OCCOS(O)(=O)=O,10001.0,4.0,1.0,0.0,330.446,16.0,5.0,CC(C)(C)CC(C)(C)C1C=CC(=CC=1)OCCOS(O)(=O)=O,4.000043427276863,Triton X-301
CC(C)(C)CC(C)(C)C1C=CC(O)=CC=1,4040.0,4.0,1.0,0.0,206.329,14.0,1.0,CC(C)(C)CC(C)(C)C1C=CC(O)=CC=1,3.606381365110605,"4-(1,1,3,3-Tetramethylbutyl)phenol"
CC(C)(C)CC(C)(C)C=C(C)C,7188.0,4.0,1.0,0.0,168.32399999999998,12.0,0.0,CC(C)(C)CC(C)(C)C=C(C)C,3.856608068436936,Isobutene trimer
CC(C)(C)CC(C)(C)CC(O)=O,2033.0,4.0,2.0,0.0,172.268,10.0,2.0,CC(C)(C)CC(C)(C)CC(O)=O,3.3081373786380386,"Neodecanoic acid, potassium salt"
CC(C)(C)CC(C)(C)N,330.0,3.0,2.0,0.0,129.247,8.0,0.0,CC(C)(C)CC(C)(C)N,2.5185139398778875,"2,4,4-Trimethyl-2-pentanamine"
CC(C)(C)CC(C)(C)S,52.0,3.0,2.0,0.0,146.299,8.0,0.0,CC(C)(C)CC(C)(C)S,1.7160033436347992,"2-Pentanethiol, 2,4,4-trimethyl-"
CC(C)(C)CC(C)CC(=O)OOC(C)(C)C,10001.0,4.0,1.0,0.0,230.34799999999993,13.0,3.0,CC(C)(C)CC(C)CC(=O)OOC(C)(C)C,4.000043427276863,CERAPP_34481
CC(C)(C)CC(C)CP(O)(=O)CC(C)CC(C)(C)C,5444.0,4.0,1.0,1.0,290.428,16.0,2.0,CC(C)(C)CC(C)CP(O)(=O)CC(C)CC(C)(C)C,3.735918116531297,CERAPP_46745
CC(C)(C)CCCCC(=O)OC=C,5251.0,4.0,2.0,0.0,184.279,11.0,2.0,CC(C)(C)CCCCC(=O)OC=C,3.720242018287057,Vinyl neononanoate
CC(C)(C)CCCCCCC(O)=O,2066.0,4.0,2.0,0.0,186.295,11.0,2.0,CC(C)(C)CCCCCCC(O)=O,3.315130317183602,"Fatty acids, C9-13-neo-"
CC(C)(C)CCCCCCCCCN,894.5,4.0,0.0,0.0,199.38199999999995,13.0,0.0,CC(C)(C)CCCCCCCCCN,2.951580344903392,"Amines, C12-14-tert-alkyl"
CC(C)(C)CON=CC1C(C(=O)OC(C#N)C2=CC(=CC=C2)OC2C=CC=CC=2)C1(C)C,143.0,3.0,0.0,1.0,434.5360000000002,26.0,4.0,CC(C)(C)CON=CC1C(C(=O)OC(C#N)C2=CC(=CC=C2)OC2C=CC=CC=2)C1(C)C,2.155336037465062,
CC(C)(C)Cl,2900.0,1.0,2.0,0.0,92.569,4.0,0.0,CC(C)(C)Cl,3.462397997898956,t-Butylchloride
CC(C)(C)N,165.0,1.0,2.0,0.0,73.13900000000001,4.0,0.0,CC(C)(C)N,2.2174839442139063,tert-Butylamine
CC(C)(C)N(CCO)CCO,2717.0,4.0,2.0,0.0,161.24499999999998,8.0,2.0,CC(C)(C)N(CCO)CCO,3.4340896384178907,"2,2'-(tert-Butylimino)diethanol"
CC(C)(C)N(Cl)Cl,780.0,1.0,2.0,0.0,142.029,4.0,0.0,CC(C)(C)N(Cl)Cl,2.8920946026904804,
CC(C)(C)N(NC(=O)C1C=CC(Cl)=CC=1)C(=O)C1C=CC=CC=1,2850.0,4.0,2.0,0.0,330.81500000000005,18.0,2.0,CC(C)(C)N(NC(=O)C1C=CC(Cl)=CC=1)C(=O)C1C=CC=CC=1,3.45484486000851,Halofenozide
CC(C)(C)N(SC1=NC2C=CC=CC=2S1)SC1=NC2C=CC=CC=2S1,6251.0,3.0,1.0,1.0,403.6230000000001,18.0,0.0,CC(C)(C)N(SC1=NC2C=CC=CC=2S1)SC1=NC2C=CC=CC=2S1,3.7959494989028033,"2-Benzothiazolesulfenamide, N-(2-benzothiazolylthio)-N-(1,1-dimethylethyl)-"
CC(C)(C)N(SCNC(=O)ON=C(C)SC)P1(=S)OCC(C)(C)CO1,8000.0,4.0,0.0,0.0,429.5700000000002,14.0,4.0,CC(C)(C)N(SCNC(=O)ON=C(C)SC)P1(=S)OCC(C)(C)CO1,3.9030899869919438,
CC(C)(C)N1C=C2CC3N(C)CC(CO)CC3(OC)C3C=CC=C1C2=3,800.0,4.0,3.0,0.0,342.48300000000006,21.0,2.0,CC(C)(C)N1C=C2CC3N(C)CC(CO)CC3(OC)C3C=CC=C1C2=3,2.9030899869919438,
CC(C)(C)N1CCC(CC1)(C1C=CC=CC=1)C1C=CC=CC=1,165.0,4.0,2.0,0.0,293.4540000000001,21.0,0.0,CC(C)(C)N1CCC(CC1)(C1C=CC=CC=1)C1C=CC=CC=1,2.2174839442139063,Budipine
CC(C)(C)N1N=CC(SCC2C=CC(=CC=2)C(C)(C)C)=C(Cl)C1=O,835.0,4.0,1.0,1.0,364.9420000000001,19.0,1.0,CC(C)(C)N1N=CC(SCC2C=CC(=CC=2)C(C)(C)C)=C(Cl)C1=O,2.921686475483602,Pyridaben
CC(C)(C)N=C1SC(C)(C)C(=NOC(=O)NC)S1,31.5,4.0,3.0,0.0,289.42600000000004,11.0,2.0,CC(C)(C)N=C1SC(C)(C)C(=NOC(=O)NC)S1,1.4983105537896004,
CC(C)(C)N=C=O,185.0,1.0,2.0,0.0,99.133,5.0,1.0,CC(C)(C)N=C=O,2.2671717284030137,tert-Butyl isocyanate
CC(C)(C)NC(=O)C1CCC2C3CCC4NC(=O)C=CC4(C)C3CCC21C,418.0,4.0,1.0,0.0,372.55300000000017,23.0,2.0,CC(C)(C)NC(=O)C1CCC2C3CCC4NC(=O)C=CC4(C)C3CCC21C,2.621176281775035,Finasteride
CC(C)(C)NC(=O)C1CN(CC2C=NC=CC=2)CCN1CC(O)CC(CC1C=CC=CC=1)C(=O)NC1C(O)CC2C=CC=CC=21,7500.0,1.0,1.0,1.0,613.8030000000003,36.0,4.0,CC(C)(C)NC(=O)C1CN(CC2C=NC=CC=2)CCN1CC(O)CC(CC1C=CC=CC=1)C(=O)NC1C(O)CC2C=CC=CC=21,3.8750612633917,Indinavir hydrate
CC(C)(C)NCC(O)C1=CC=CC=C1Cl,560.0,4.0,2.0,0.0,227.735,12.0,1.0,CC(C)(C)NCC(O)C1=CC=CC=C1Cl,2.7481880270062002,Tulobuterol
CC(C)(C)NCC(O)C1C=C(C(N)=C(Cl)C=1)C(F)(F)F,306.0,4.0,3.0,0.0,310.74699999999996,13.0,1.0,CC(C)(C)NCC(O)C1C=C(C(N)=C(Cl)C=1)C(F)(F)F,2.48572142648158,Mabuterol
CC(C)(C)NCC(O)C1C=C(CO)C(O)=CC=1,660.0,4.0,2.0,0.0,239.315,13.0,3.0,CC(C)(C)NCC(O)C1C=C(CO)C(O)=CC=1,2.8195439355418688,Albuterol
CC(C)(C)NCC(O)C1C=CC(O)=C(CO)N=1,3500.0,4.0,2.0,0.0,240.303,12.0,3.0,CC(C)(C)NCC(O)C1C=CC(O)=C(CO)N=1,3.5440680443502757,Pirbuterol hydrochloride
CC(C)(C)NCC(O)COC1=CC=CC2C(=O)CCCC=21,700.0,4.0,3.0,0.0,291.391,17.0,3.0,CC(C)(C)NCC(O)COC1=CC=CC2C(=O)CCCC=21,2.845098040014257,Levobunolol hydrochloride
CC(C)(C)NCC(O)COC1=CC=CC2CC(O)C(O)CC=21,5300.0,4.0,2.0,0.0,309.406,17.0,4.0,CC(C)(C)NCC(O)COC1=CC=CC2CC(O)C(O)CC=21,3.724275869600789,Nadolol
CC(C)(C)NCC(O)COC1=CC=CC2NC(=O)CCC=21,1330.0,4.0,3.0,0.0,292.37899999999996,16.0,3.0,CC(C)(C)NCC(O)COC1=CC=CC2NC(=O)CCC=21,3.123851640967086,Carteolol hydrochloride
CC(C)(C)NCC(O)COC1=CC=CC=C1C1CCCC1,1265.0,4.0,3.0,0.0,291.4350000000001,18.0,2.0,CC(C)(C)NCC(O)COC1=CC=CC=C1C1CCCC1,3.1020905255118367,Penbutolol
CC(C)(C)NCC(O)COC1=NSN=C1N1CCOCC1,1028.0,4.0,3.0,0.0,316.4270000000002,13.0,3.0,CC(C)(C)NCC(O)COC1=NSN=C1N1CCOCC1,3.011993114659257,Timolol maleate salt
CC(C)(C)NCC(O)CSC1=NC(=CS1)C1=CC=C(S1)C(N)=O,86.0,4.0,1.0,0.0,371.55300000000005,15.0,2.0,CC(C)(C)NCC(O)CSC1=NC(=CS1)C1=CC=C(S1)C(N)=O,1.9344984512435677,Arotinolol
CC(C)(C)NCC1C=CC=CC=1,397.0,4.0,2.0,0.0,163.264,11.0,0.0,CC(C)(C)NCC1C=CC=CC=1,2.598790506763115,"Benzenemethanamine, N-(1,1-dimethylethyl)-"
CC(C)(C)NCCCCN,810.0,3.0,2.0,0.0,144.262,8.0,0.0,CC(C)(C)NCCCCN,2.90848501887865,
CC(C)(C)NCCO,1620.0,2.0,2.0,0.0,117.192,6.0,1.0,CC(C)(C)NCCO,3.2095150145426308,2-(tert-Butylamino)ethanol
CC(C)(C)NCCOCCO,1467.0,4.0,2.0,0.0,161.24499999999998,8.0,2.0,CC(C)(C)NCCOCCO,3.166430113843283,"Ethanol, 2-[2-[(1,1-dimethylethyl)amino]ethoxy]-"
CC(C)(C)O,1503.3333333333333,1.0,2.0,0.0,74.12299999999999,4.0,1.0,CC(C)(C)O,3.177055287158298,Lithium 2-methylpropan-2-olate
CC(C)(C)OC(=O)C=C,1047.0,2.0,2.0,0.0,128.17099999999996,7.0,2.0,CC(C)(C)OC(=O)C=C,3.0199466816788423,tert-Butyl acrylate
CC(C)(C)OC(=O)CBr,400.0,3.0,2.0,0.0,195.056,6.0,2.0,CC(C)(C)OC(=O)CBr,2.6020599913279625,"Acetic acid, bromo-, 1,1-dimethylethyl ester"
CC(C)(C)OC(=O)CC1CC(CCN2C(C(C)C)=C(C(=C2C2=CC=C(F)C=C2)C2C=CC=CC=2)C(=O)NC2C=CC=CC=2)OC(C)(C)O1,2751.0,0.0,0.0,2.0,654.8230000000002,40.0,5.0,CC(C)(C)OC(=O)CC1CC(CCN2C(C(C)C)=C(C(=C2C2=CC=C(F)C=C2)C2C=CC=CC=2)C(=O)NC2C=CC=CC=2)OC(C)(C)O1,3.4394905903896835,"tert-Butyl [(4R,6R)-6-{2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]ethyl}-2,2-dimethyl-1,3-dioxan-4-yl]acetate"
CC(C)(C)OC(=O)CCl,399.0,2.0,2.0,0.0,150.605,6.0,2.0,CC(C)(C)OC(=O)CCl,2.6009728956867484,"Acetic acid, chloro-, 1,1-dimethylethyl ester"
CC(C)(C)OC(=O)C[P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1,28.0,4.0,1.0,0.0,377.4440000000001,24.0,2.0,CC(C)(C)OC(=O)C[P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1,1.4471580313422192,(2-tert-Butoxy-2-oxoethyl)(triphenyl)phosphanium chloride
CC(C)(C)OC(=O)N1CC(=O)C1,2500.0,4.0,2.0,0.0,171.19599999999997,8.0,3.0,CC(C)(C)OC(=O)N1CC(=O)C1,3.3979400086720375,1-Boc-3-azetidinone
CC(C)(C)OC(=O)OC(=O)OC(C)(C)C,7500.0,4.0,2.0,0.0,218.24899999999997,10.0,5.0,CC(C)(C)OC(=O)OC(=O)OC(C)(C)C,3.8750612633917,Di-tert-butyl dicarbonate
CC(C)(C)OCC1CO1,2188.0,2.0,2.0,0.0,130.18699999999998,7.0,2.0,CC(C)(C)OCC1CO1,3.340047317661393,tert-Butyl glycidyl ether
CC(C)(C)OO,483.0,1.0,2.0,0.0,90.122,4.0,2.0,CC(C)(C)OO,2.683947130751512,tert-Butyl hydroperoxide
CC(C)(C)OOC(=O)C(C)(C)C,4234.0,4.0,2.0,0.0,174.23999999999998,9.0,3.0,CC(C)(C)OOC(=O)C(C)(C)C,3.6267508536833932,"Propaneperoxoic acid, 2,2-dimethyl-, 1,1-dimethylethyl ester"
CC(C)(C)OOC(=O)C(C)(CCC(C)C)CC,9288.0,4.0,0.0,0.0,244.37499999999991,14.0,3.0,CC(C)(C)OOC(=O)C(C)(CCC(C)C)CC,3.9679222067305173,"Neodecaneperoxoic acid, 1,1-dimethylethyl ester"
CC(C)(C)OOC(=O)C1C=CC=CC=1,2867.0,4.0,2.0,0.0,194.23,11.0,3.0,CC(C)(C)OOC(=O)C1C=CC=CC=1,3.4574276929464847,tert-Butyl perbenzoate
CC(C)(C)OOC(=O)C=CC(O)=O,252.0,4.0,2.0,0.0,188.179,8.0,5.0,CC(C)(C)OOC(=O)C=CC(O)=O,2.401400540781544,"2-Propeneperoxoic acid, 3-carboxy-, 1-(1,1-dimethylethyl) ester, (2Z)-"
CC(C)(C)OOC(C)(C)C,10001.0,3.0,2.0,0.0,146.23,8.0,2.0,CC(C)(C)OOC(C)(C)C,4.000043427276863,Di-tert-butyl peroxide
CC(C)(C)OOC(C)(C)C#CC(C)(C)OOC(C)(C)C,3500.0,4.0,1.0,0.0,286.412,16.0,4.0,CC(C)(C)OOC(C)(C)C#CC(C)(C)OOC(C)(C)C,3.5440680443502757,"2,5-Bis(tert-butylperoxy)-2,5-dimethylhex-3-yne"
CC(C)(C)OOC(C)(C)C1C=CC(=CC=1)C(C)(C)OOC(C)(C)C,10001.0,3.0,1.0,1.0,338.48800000000006,20.0,4.0,CC(C)(C)OOC(C)(C)C1C=CC(=CC=1)C(C)(C)OOC(C)(C)C,4.000043427276863,Bis(t-butyl dioxyisopropyl)benzene
CC(C)(C)OOC(C)(C)C1C=CC=CC=1,4785.0,4.0,1.0,0.0,208.301,13.0,2.0,CC(C)(C)OOC(C)(C)C1C=CC=CC=1,3.6798819421128623,"Peroxide, 1,1-dimethylethyl 1-methyl-1-phenylethyl"
CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C,10001.0,4.0,1.0,0.0,290.444,16.0,4.0,CC(C)(C)OOC(C)(C)CCC(C)(C)OOC(C)(C)C,4.000043427276863,"2,5-Dimethyl-2,5-di-(tert-butylperoxy)hexane"
CC(C)(C)OOC1(CCCCC1)OOC(C)(C)C,10001.0,4.0,2.0,0.0,260.37399999999997,14.0,4.0,CC(C)(C)OOC1(CCCCC1)OOC(C)(C)C,4.000043427276863,"1,1-Bis(tert-butylperoxy)cyclohexane"
CC(C)(C)S,4729.0,1.0,2.0,0.0,90.191,4.0,0.0,CC(C)(C)S,3.674769314015426,2-Methyl-2-propanethiol
CC(C)(C)SCSP(=S)(OCC)OCC,2.0,4.0,1.0,0.0,288.44,9.0,2.0,CC(C)(C)SCSP(=S)(OCC)OCC,0.3010299956639812,Terbufos
CC(C)(C1=CC(Br)=C(O)C(Br)=C1)C1=CC(Br)=C(O)C(Br)=C1,7500.0,2.0,1.0,2.0,543.875,15.0,2.0,CC(C)(C1=CC(Br)=C(O)C(Br)=C1)C1=CC(Br)=C(O)C(Br)=C1,3.8750612633917,"3,3',5,5'-Tetrabromobisphenol A"
CC(C)(C1=CC(Br)=C(OCC(Br)CBr)C(Br)=C1)C1=CC(Br)=C(OCC(Br)CBr)C(Br)=C1,2751.0,1.0,0.0,2.0,943.621,21.0,2.0,CC(C)(C1=CC(Br)=C(OCC(Br)CBr)C(Br)=C1)C1=CC(Br)=C(OCC(Br)CBr)C(Br)=C1,3.4394905903896835,"Tetrabromobisphenol A-bis(2,3-dibromopropyl ether)"
CC(C)(C1=CC(Br)=C(OCC(C)(Br)CBr)C(Br)=C1)C1=CC(Br)=C(OCC(C)(Br)CBr)C(Br)=C1,2751.0,1.0,0.0,2.0,971.6749999999998,23.0,2.0,CC(C)(C1=CC(Br)=C(OCC(C)(Br)CBr)C(Br)=C1)C1=CC(Br)=C(OCC(C)(Br)CBr)C(Br)=C1,3.4394905903896835,"1,1'-(isopropylidene)bis[3,5-dibromo-4-(2,3-dibromo-2-methylpropoxy)benzene]"
CC(C)(C1=CC(Br)=C(OCC2CO2)C(Br)=C1)C1=CC(Br)=C(OCC2CO2)C(Br)=C1,3500.0,2.0,0.0,2.0,656.003,21.0,4.0,CC(C)(C1=CC(Br)=C(OCC2CO2)C(Br)=C1)C1=CC(Br)=C(OCC2CO2)C(Br)=C1,3.5440680443502757,"2,2'-[(1-Methylethylidene)bis[(2,6-dibromo-4,1-phenylene)oxymethylene]]bisoxirane"
CC(C)(C1=CC(Br)=C(OCC=C)C(Br)=C1)C1=CC(Br)=C(OCC=C)C(Br)=C1,6251.0,2.0,0.0,2.0,624.0050000000001,21.0,2.0,CC(C)(C1=CC(Br)=C(OCC=C)C(Br)=C1)C1=CC(Br)=C(OCC=C)C(Br)=C1,3.7959494989028033,Tetrabromobisphenol A diallyl ether
CC(C)(C1=CC(C)=C(O)C(C)=C1)C1=CC(C)=C(O)C(C)=C1,3500.0,4.0,1.0,0.0,284.399,19.0,2.0,CC(C)(C1=CC(C)=C(O)C(C)=C1)C1=CC(C)=C(O)C(C)=C1,3.5440680443502757,"4,4'-Propane-2,2-diylbis(2,6-dimethylphenol)"
CC(C)(C1=CC(CC=C)=C(O)C=C1)C1C=C(CC=C)C(O)=CC=1,3500.0,4.0,1.0,0.0,308.421,21.0,2.0,CC(C)(C1=CC(CC=C)=C(O)C=C1)C1C=C(CC=C)C(O)=CC=1,3.5440680443502757,"Phenol, 4,4'-(1-methylethylidene)bis[2-(2-propenyl)-"
CC(C)(C1=CC(Cl)=C(O)C(Cl)=C1)C1=CC(Cl)=C(O)C(Cl)=C1,7432.0,3.0,1.0,1.0,366.071,15.0,2.0,CC(C)(C1=CC(Cl)=C(O)C(Cl)=C1)C1=CC(Cl)=C(O)C(Cl)=C1,3.871105700985585,"2,2',6,6'-Tetrachlorobisphenol A"
CC(C)(C1C=C(C(O)=C(C=1)N1N=C2C=CC=CC2=N1)C(C)(C)C1C=CC=CC=1)C1C=CC=CC=1,7750.0,2.0,0.0,1.0,447.58200000000016,30.0,1.0,CC(C)(C1C=C(C(O)=C(C=1)N1N=C2C=CC=CC2=N1)C(C)(C)C1C=CC=CC=1)C1C=CC=CC=1,3.88930170250631,"2-(2H-Benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenylethyl)phenol"
CC(C)(C1C=C(C=CC=1)C(C)(C)C1C=CC(O)=CC=1)C1C=CC(O)=CC=1,6095.0,3.0,1.0,1.0,346.47,24.0,2.0,CC(C)(C1C=C(C=CC=1)C(C)(C)C1C=CC(O)=CC=1)C1C=CC(O)=CC=1,3.7849737099544005,"Phenol, 4,4'-[1,3-phenylenebis(1-methylethylidene)]bis-"
CC(C)(C1C=CC(=CC=1)C(C)C)C(C)(C)C1C=CC(=CC=1)C(C)C,3500.0,3.0,1.0,1.0,322.536,24.0,0.0,CC(C)(C1C=CC(=CC=1)C(C)C)C(C)(C)C1C=CC(=CC=1)C(C)C,3.5440680443502757,"1,1'-(2,3-Dimethylbutane-2,3-diyl)bis[4-(propan-2-yl)benzene]"
CC(C)(C1C=CC(=CC=1)NC1C=CC(=CC=1)C(C)(C)C1C=CC=CC=1)C1C=CC=CC=1,2751.0,2.0,0.0,1.0,405.5850000000001,30.0,0.0,CC(C)(C1C=CC(=CC=1)NC1C=CC(=CC=1)C(C)(C)C1C=CC=CC=1)C1C=CC=CC=1,3.4394905903896835,4-(2-Phenylpropan-2-yl)-N-[4-(2-phenylpropan-2-yl)phenyl]aniline
CC(C)(C1C=CC(=CC=1)OC1=CC2=C(C=C1)C(=O)OC2=O)C1C=CC(=CC=1)OC1=CC2=C(C=C1)C(=O)OC2=O,7500.0,1.0,0.0,2.0,520.4930000000003,31.0,8.0,CC(C)(C1C=CC(=CC=1)OC1=CC2=C(C=C1)C(=O)OC2=O)C1C=CC(=CC=1)OC1=CC2=C(C=C1)C(=O)OC2=O,3.8750612633917,"5,5'-[Propane-2,2-diylbis(benzene-4,1-diyloxy)]bis(2-benzofuran-1,3-dione)"
CC(C)(C1C=CC(=CC=1)OC1C=CC(N)=CC=1)C1C=CC(=CC=1)OC1C=CC(N)=CC=1,355.0,3.0,0.0,1.0,410.51700000000017,27.0,2.0,CC(C)(C1C=CC(=CC=1)OC1C=CC(N)=CC=1)C1C=CC(=CC=1)OC1C=CC(N)=CC=1,2.550228353055094,"4,4'-(Isopropylidenebis(4,1-phenyleneoxy))dianiline"
CC(C)(C1C=CC(=CC=1)OCC1CO1)C1C=CC(=CC=1)OCC1CO1,1000.0,4.0,1.0,0.0,340.4190000000001,21.0,4.0,CC(C)(C1C=CC(=CC=1)OCC1CO1)C1C=CC(=CC=1)OCC1CO1,3.0,Bisphenol A diglycidyl ether
CC(C)(C1C=CC(=CC=1)OCCO)C1C=CC(=CC=1)OCCO,4201.0,4.0,2.0,0.0,316.39700000000005,19.0,4.0,CC(C)(C1C=CC(=CC=1)OCCO)C1C=CC(=CC=1)OCCO,3.623352681537992,"Ethanol, 2,2'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis-"
CC(C)(C1C=CC(=CC=1)OP(=O)(OC1C=CC=CC=1)OC1C=CC=CC=1)C1C=CC(=CC=1)OP(=O)(OC1C=CC=CC=1)OC1C=CC=CC=1,2751.0,0.0,0.0,2.0,692.6410000000003,39.0,8.0,CC(C)(C1C=CC(=CC=1)OP(=O)(OC1C=CC=CC=1)OC1C=CC=CC=1)C1C=CC(=CC=1)OP(=O)(OC1C=CC=CC=1)OC1C=CC=CC=1,3.4394905903896835,"Phosphoric acid, P,P'-[(1-methylethylidene)di-4,1-phenylene] P,P,P',P'-tetraphenyl ester"
CC(C)(C1C=CC(O)=CC=1)C1C=CC(O)=CC=1,2150.0,4.0,2.0,0.0,228.291,15.0,2.0,CC(C)(C1C=CC(O)=CC=1)C1C=CC(O)=CC=1,3.3324384599156054,"Formaldehyde, polymer with bisphenol A"
CC(C)(C1C=CC=CC=1)C(C)(C)C1C=CC=CC=1,4501.0,4.0,1.0,0.0,238.37399999999997,18.0,0.0,CC(C)(C1C=CC=CC=1)C(C)(C)C1C=CC=CC=1,3.653309012938479,"2,3-Dimethyl-2,3-diphenylbutane"
CC(C)(C1C=CC=CC=1)C1C=CC(O)=CC=1,2033.0,4.0,1.0,0.0,212.29199999999997,15.0,1.0,CC(C)(C1C=CC=CC=1)C1C=CC(O)=CC=1,3.3081373786380386,4-Cumylphenol
CC(C)(C1CCC(O)CC1)C1CCC(O)CC1,2751.0,4.0,2.0,0.0,240.38699999999992,15.0,2.0,CC(C)(C1CCC(O)CC1)C1CCC(O)CC1,3.4394905903896835,"4,4'-Propane-2,2-diyldicyclohexanol"
CC(C)(C1CCCO1)C1CCCO1,1150.0,4.0,2.0,0.0,184.27899999999997,11.0,2.0,CC(C)(C1CCCO1)C1CCCO1,3.060697840353612,CERAPP_47382
CC(C)(CC(=C)C1C=CC=CC=1)C1C=CC=CC=1,1731.0,4.0,1.0,1.0,236.358,18.0,0.0,CC(C)(CC(=C)C1C=CC=CC=1)C1C=CC=CC=1,3.238297067875394,alpha-(2-Methyl-2-phenylpropyl)styrene
CC(C)(CC(C)(C)C)SSSSC(C)(CSSSSC(C)(C)CC(C)(C)C)CC(C)(C)C,3641.0,0.0,0.0,2.0,595.2,24.0,0.0,CC(C)(CC(C)(C)C)SSSSC(C)(CSSSSC(C)(C)CC(C)(C)C)CC(C)(C)C,3.561220678933944,"Pentene, 2,4,4-trimethyl-, sulfurized"
CC(C)(CC)C(=O)OC1=C(C2=CC=C(Cl)C=C2Cl)C(=O)OC21CCCCC2,2500.0,3.0,1.0,1.0,411.3250000000003,21.0,4.0,CC(C)(CC)C(=O)OC1=C(C2=CC=C(Cl)C=C2Cl)C(=O)OC21CCCCC2,3.3979400086720375,Spirodiclofen
CC(C)(CC)C1=CC(=CC=C1OC(CC)C(O)=O)C(C)(C)CC,3200.0,4.0,1.0,1.0,320.47300000000007,20.0,3.0,CC(C)(CC)C1=CC(=CC=C1OC(CC)C(O)=O)C(C)(C)CC,3.505149978319906,"Butanoic acid, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-"
CC(C)(CC)C1=CC=CC=C1O,867.0,4.0,2.0,0.0,164.24799999999996,11.0,1.0,CC(C)(CC)C1=CC=CC=C1O,2.9380190974762104,"Phenol, 2-(1,1-dimethylpropyl)-"
CC(C)(CC)C1C=C(C(O)=C(C=1)N1N=C2C=CC=CC2=N1)C(C)(C)CC,7100.0,4.0,0.0,1.0,351.49400000000014,22.0,1.0,CC(C)(CC)C1C=C(C(O)=C(C=1)N1N=C2C=CC=CC2=N1)C(C)(C)CC,3.8512583487190755,"2-(2H-Benzotriazol-2-yl)-4,6-bis(1,1-dimethylpropyl)phenol"
CC(C)(CC)C1C=C(C=CC=1O)C(C)(C)CC,330.0,4.0,0.0,0.0,234.38299999999995,16.0,1.0,CC(C)(CC)C1C=C(C=CC=1O)C(C)(C)CC,2.5185139398778875,"2,4-Bis(2-methylbutan-2-yl)phenol"
CC(C)(CC)C1C=C(C=CC=1OCCCCN)C(C)(C)CC,800.0,4.0,1.0,1.0,305.506,20.0,1.0,CC(C)(CC)C1C=C(C=CC=1OCCCCN)C(C)(C)CC,2.9030899869919438,"1-Butanamine, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-"
CC(C)(CC)C1C=C(O)C(=CC=1O)C(C)(C)CC,3500.0,4.0,1.0,0.0,250.38199999999995,16.0,2.0,CC(C)(CC)C1C=C(O)C(=CC=1O)C(C)(C)CC,3.5440680443502757,"2,5-Bis(2-methylbutan-2-yl)benzene-1,4-diol"
CC(C)(CC)C1C=CC(O)=CC=1,2478.0,4.0,2.0,0.0,164.248,11.0,1.0,CC(C)(CC)C1C=CC(O)=CC=1,3.3941013020400446,Potassium 4-(2-methylbutan-2-yl)phenolate
CC(C)(CC)OCC,2751.0,2.0,2.0,0.0,116.204,7.0,1.0,CC(C)(CC)OCC,3.4394905903896835,"Butane, 2-ethoxy-2-methyl-"
CC(C)(CC)OOC(C)(C)CC,3563.0,4.0,1.0,0.0,174.2839999999999,10.0,2.0,CC(C)(CC)OOC(C)(C)CC,3.5518158223510157,Bis(2-methylbutan-2-yl) peroxide
CC(C)(CC1C=CC(=CC=1)NC1C=CC(CC(C)(C)C(C)=C)=CC=1)C(C)=C,7500.0,3.0,0.0,1.0,361.5730000000001,26.0,0.0,CC(C)(CC1C=CC(=CC=1)NC1C=CC(CC(C)(C)C(C)=C)=CC=1)C(C)=C,3.8750612633917,"Benzenamine, N-phenyl-, reaction products with 2,4,4-trimethylpentene"
CC(C)(CC1C=CC=CC=1)N(C)C(=O)CN(CCO)CC(=O)N(C)C(C)(C)CC1C=CC=CC=1,1000.0,2.0,1.0,0.0,467.6540000000002,28.0,3.0,CC(C)(CC1C=CC=CC=1)N(C)C(=O)CN(CCO)CC(=O)N(C)C(C)(C)CC1C=CC=CC=1,3.0,Oxethazaine
CC(C)(CCCC)O[Si](OC(C)(C)CCCC)(OC(C)(C)CCCC)OC(C)(C)CCCC,10001.0,0.0,0.0,1.0,488.8700000000004,28.0,4.0,CC(C)(CCCC)O[Si](OC(C)(C)CCCC)(OC(C)(C)CCCC)OC(C)(C)CCCC,4.000043427276863,"Silicic acid (H4SiO4), tetrakis(1,1-dimethylpentyl) ester"
CC(C)(CCN1C2=CC=CC=C2N=C1O)NCC(O)COC1=CC=CC2=CC=CC=C21,2500.0,4.0,0.0,0.0,419.5250000000002,25.0,3.0,CC(C)(CCN1C2=CC=CC=C2N=C1O)NCC(O)COC1=CC=CC2=CC=CC=C21,3.3979400086720375,
CC(C)(CCl)C1C=C(Cl)N=NC=1Cl,1000.0,4.0,2.0,0.0,239.533,8.0,0.0,CC(C)(CCl)C1C=C(Cl)N=NC=1Cl,3.0,"Pyridazine, 3,6-dichloro-4-(2-chloro-1,1-dimethylethyl)-"
CC(C)(CN)CN,1020.0,2.0,2.0,0.0,102.181,5.0,0.0,CC(C)(CN)CN,3.0086001717619175,"1,3-Propanediamine, 2,2-dimethyl-"
CC(C)(CNC1C=CC(=CC=1)N=O)[N+]([O-])=O,2730.0,4.0,2.0,0.0,223.23199999999997,10.0,3.0,CC(C)(CNC1C=CC(=CC=1)N=O)[N+]([O-])=O,3.436162647040756,N-(2-Methyl-2-nitropropyl)-4-nitrosoaniline
CC(C)(CO)C(=O)OCC(C)(C)CO,8000.0,4.0,1.0,0.0,204.26599999999996,10.0,4.0,CC(C)(CO)C(=O)OCC(C)(C)CO,3.9030899869919438,"3-Hydroxy-2,2-dimethylpropyl 3-hydroxy-2,2-dimethylpropanoate"
CC(C)(CO)C(O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)CO,10000.0,0.0,1.0,1.0,554.7320000000002,22.0,8.0,CC(C)(CO)C(O)C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)C(O)C(C)(C)CO,4.0,Pantethine
CC(C)(CO)C(O)C(=O)NCCCO,10000.0,3.0,1.0,0.0,205.25399999999996,9.0,4.0,CC(C)(CO)C(O)C(=O)NCCCO,4.0,Dexpanthenol
CC(C)(CO)C1C=C(Cl)N=NC=1Cl,500.0,4.0,2.0,0.0,221.087,8.0,1.0,CC(C)(CO)C1C=C(Cl)N=NC=1Cl,2.6989700043360187,"4-Pyridazineethanol, 3,6-dichloro-.beta.,.beta.-dimethyl-"
CC(C)(CO)C1OCC2(CO1)COC(OC2)C(C)(C)CO,3125.0,4.0,2.0,0.0,304.38300000000004,15.0,6.0,CC(C)(CO)C1OCC2(CO1)COC(OC2)C(C)(C)CO,3.494850021680094,"2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-diethanol, .beta.,.beta.,.beta.',.beta.'-tetramethyl-"
CC(C)(CO)C=O,3200.0,1.0,2.0,0.0,102.133,5.0,2.0,CC(C)(CO)C=O,3.505149978319906,"Propanal, 3-hydroxy-2,2-dimethyl-"
CC(C)(CO)CC1C=CC=CC=1,1970.0,4.0,2.0,0.0,164.248,11.0,1.0,CC(C)(CO)CC1C=CC=CC=1,3.294466226161593,Dimethyl phenylpropanol
CC(C)(CO)CO,6930.0,1.0,2.0,0.0,104.149,5.0,2.0,CC(C)(CO)CO,3.8407332346118066,"2,2-Dimethylpropane-1,3-diol"
CC(C)(CO)NCC(O)C1C=CC=CC=1,2080.0,4.0,1.0,0.0,209.289,12.0,2.0,CC(C)(CO)NCC(O)C1C=CC=CC=1,3.3180633349627615,
CC(C)(CO)[N+]([O-])=O,1140.0,1.0,2.0,0.0,119.12,4.0,3.0,CC(C)(CO)[N+]([O-])=O,3.0569048513364727,2-Methyl-2-nitro-1-propanol
CC(C)(COC(=O)C(CCCC)CC)COC(=O)C(CCCC)CC,3500.0,4.0,0.0,1.0,356.5470000000002,21.0,4.0,CC(C)(COC(=O)C(CCCC)CC)COC(=O)C(CCCC)CC,3.5440680443502757,CERAPP_38548
CC(C)(COC(=O)C1C=CC=CC=1)COC(=O)C1C=CC=CC=1,6172.0,4.0,1.0,0.0,312.365,19.0,4.0,CC(C)(COC(=O)C1C=CC=CC=1)COC(=O)C1C=CC=CC=1,3.7904259173911106,Neopentyl glycol dibenzoate
CC(C)(COC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC,2825.0,0.0,0.0,2.0,633.055,41.0,4.0,CC(C)(COC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC,3.4510184521554574,"9-Octadecenoic acid (9Z)-, 2,2-dimethyl-1,3-propanediyl ester"
CC(C)(COCC1CO1)COCC1CO1,4500.0,4.0,1.0,0.0,216.27699999999996,11.0,4.0,CC(C)(COCC1CO1)COCC1CO1,3.6532125137753435,Neopentyl glycol diglycidyl ether
CC(C)(CS(C)(=O)=O)NC(=O)C1=C(I)C=CC=C1C(=O)NC1=CC=C(C=C1C)C(F)(C(F)(F)F)C(F)(F)F,3500.0,1.0,0.0,2.0,682.396,23.0,4.0,CC(C)(CS(C)(=O)=O)NC(=O)C1=C(I)C=CC=C1C(=O)NC1=CC=C(C=C1C)C(F)(C(F)(F)F)C(F)(F)F,3.5440680443502757,Flubendiamide
CC(C)(CS(O)(=O)=O)NC(=O)C=C,6808.0,4.0,2.0,0.0,207.251,7.0,4.0,CC(C)(CS(O)(=O)=O)NC(=O)C=C,3.8330195470765314,Potassium 2-acrylamido-2-methylpropanesulfonate
CC(C)(N)C#C,1470.0,1.0,2.0,0.0,83.134,5.0,0.0,CC(C)(N)C#C,3.167317334748176,"3-Butyn-2-amine, 2-methyl-"
CC(C)(N)CC1C=CC(Cl)=CC=1,200.0,4.0,2.0,0.0,183.682,10.0,0.0,CC(C)(N)CC1C=CC(Cl)=CC=1,2.3010299956639813,Chlorphentermine hydrochloride
CC(C)(N)CC1C=CC=CC=1,263.0,3.0,2.0,0.0,149.237,10.0,0.0,CC(C)(N)CC1C=CC=CC=1,2.419955748489758,Phentermine
CC(C)(N)CCCCCCCCCCOCCO,1850.0,4.0,2.0,0.0,259.4339999999999,15.0,2.0,CC(C)(N)CCCCCCCCCCOCCO,3.2671717284030137,C12-14 tert-alkyl ethoxylated amines
CC(C)(N)CO,2900.0,1.0,2.0,0.0,89.13799999999999,4.0,1.0,CC(C)(N)CO,3.462397997898956,"1-Propanol, 2-amino-2-methyl-, methanesulfonate (salt)"
CC(C)(N=C=O)C1C=C(C=CC=1)C(C)(C)N=C=O,5738.0,4.0,1.0,0.0,244.294,14.0,2.0,CC(C)(N=C=O)C1C=C(C=CC=1)C(C)(C)N=C=O,3.7587605439099794,"1,3-Bis(2-isocyanatopropan-2-yl)benzene"
CC(C)(N=C=O)C1C=CC(=CC=1)C(C)(C)N=C=O,10000.0,4.0,1.0,0.0,244.294,14.0,2.0,CC(C)(N=C=O)C1C=CC(=CC=1)C(C)(C)N=C=O,4.0,"Benzene, 1,4-bis(1-isocyanato-1-methylethyl)-"
CC(C)(N=NC(C)(C)C(N)=N)C(N)=N,1205.0,4.0,1.0,0.0,198.274,8.0,0.0,CC(C)(N=NC(C)(C)C(N)=N)C(N)=N,3.080987046910887,"2,2'-Azobis(2-amidinopropane) dihydrochloride"
CC(C)(O)C#C,1542.0,1.0,2.0,0.0,84.11799999999998,5.0,1.0,CC(C)(O)C#C,3.188084373714938,2-Methyl-3-butyn-2-ol
CC(C)(O)C#CC(C)(C)O,9000.0,3.0,2.0,0.0,142.198,8.0,2.0,CC(C)(O)C#CC(C)(C)O,3.9542425094393248,"2,5-Dimethyl-3-hexyne-2,5-diol"
CC(C)(O)C#CC=C,600.0,1.0,2.0,0.0,110.15599999999998,7.0,1.0,CC(C)(O)C#CC=C,2.7781512503836434,"5-Hexen-3-yn-2-ol, 2-methyl-"
CC(C)(O)C#N,17.0,1.0,2.0,0.0,85.10600000000001,4.0,1.0,CC(C)(O)C#N,1.2304489213782739,2-Hydroxy-2-methylpropanenitrile
CC(C)(O)C(=O)C1C=CC(=CC=1)OCCO,3198.0,4.0,1.0,0.0,224.25599999999997,12.0,4.0,CC(C)(O)C(=O)C1C=CC(=CC=1)OCCO,3.504878459410216,2-Hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one
CC(C)(O)C(=O)C1C=CC(CC2C=CC(=CC=2)C(=O)C(C)(C)O)=CC=1,2751.0,4.0,2.0,0.0,340.419,21.0,4.0,CC(C)(O)C(=O)C1C=CC(CC2C=CC(=CC=2)C(=O)C(C)(C)O)=CC=1,3.4394905903896835,"1,1'-[Methylenedi(4,1-phenylene)]bis(2-hydroxy-2-methylpropan-1-one)"
CC(C)(O)C(=O)C1C=CC=CC=1,1694.0,4.0,2.0,0.0,164.204,10.0,2.0,CC(C)(O)C(=O)C1C=CC=CC=1,3.228913405994688,Propylene glycol diacetate
CC(C)(O)C(C)(O)C1C=CC(Cl)=CC=1,832.0,4.0,2.0,0.0,214.692,11.0,2.0,CC(C)(O)C(C)(O)C1C=CC(Cl)=CC=1,2.920123326290724,Phenaglycodol
CC(C)(O)C(Cl)(Cl)Cl,510.0,2.0,2.0,0.0,177.458,4.0,1.0,CC(C)(O)C(Cl)(Cl)Cl,2.7075701760979363,"1,1,1-Trichloro-2-methyl-2-propanol"
CC(C)(O)C(O)(C(C)OC)C(=O)OCC1=CCN2CCC(OC(=O)C(C)=CC)C21,130.0,4.0,1.0,0.0,411.4950000000001,21.0,7.0,CC(C)(O)C(O)(C(C)OC)C(=O)OCC1=CCN2CCC(OC(=O)C(C)=CC)C21,2.113943352306837,Lasiocarpine
CC(C)(O)C(O)CCC(C)C1CCC2C(CCCC21C)=CC=C1CC(O)CCC1=C,10.0,2.0,0.0,1.0,416.6460000000002,27.0,3.0,CC(C)(O)C(O)CCC(C)C1CCC2C(CCCC21C)=CC=C1CC(O)CCC1=C,1.0,"24R,25-Dihydroxyvitamin D3"
CC(C)(O)C1C=C(C=CC=1)C(C)(C)O,4655.0,4.0,1.0,0.0,194.27399999999997,12.0,2.0,CC(C)(O)C1C=C(C=CC=1)C(C)(C)O,3.6679196853173615,"1,3-Benzenedimethanol, .alpha.1,.alpha.1,.alpha.3,.alpha.3-tetramethyl-"
CC(C)(O)C1C=CC=CC=1,1300.0,3.0,2.0,0.0,136.194,9.0,1.0,CC(C)(O)C1C=CC=CC=1,3.113943352306837,2-Phenylpropan-2-ol
CC(C)(O)C1CCC(C)(C=C)O1,1150.0,4.0,2.0,0.0,170.25199999999998,10.0,2.0,CC(C)(O)C1CCC(C)(C=C)O1,3.060697840353612,"2-Furanmethanol, 5-ethenyltetrahydro-.alpha.,.alpha.,5-trimethyl-"
CC(C)(O)C=C,1800.0,1.0,2.0,0.0,86.13399999999999,5.0,1.0,CC(C)(O)C=C,3.255272505103306,2-Methyl-3-buten-2-ol
CC(C)(O)CC(C)(O)C1C=CC(Cl)=CC=1,1140.0,4.0,1.0,0.0,228.719,12.0,2.0,CC(C)(O)CC(C)(O)C1C=CC(Cl)=CC=1,3.0569048513364727,Fenpentadiol
CC(C)(O)CC1C=CC=CC=1,1280.0,3.0,2.0,0.0,150.221,10.0,1.0,CC(C)(O)CC1C=CC=CC=1,3.1072099696478683,2-Methyl-1-phenylpropan-2-ol
CC(C)(O)CCC(C)(C)O,2751.0,3.0,1.0,0.0,146.23,8.0,2.0,CC(C)(O)CCC(C)(C)O,3.4394905903896835,"2,5-Dimethylhexane-2,5-diol"
CC(C)(O)CCC1C=CC=CC=1,2200.0,4.0,2.0,0.0,164.24800000000002,11.0,1.0,CC(C)(O)CCC1C=CC=CC=1,3.342422680822206,2-Methyl-4-phenylbutan-2-ol
CC(C)(O)CCCC(=C)C=C,2652.65,3.0,1.0,0.0,154.253,10.0,1.0,CC(C)(O)CCCC(=C)C=C,3.4236799514161267,2-Methyl-6-methylene-7-octen-2-ol
CC(C)(O)CCCC(C)C1CCC2C(CCCC21C)=CC=C1CC(O)CC(O)C1=C,0.62,2.0,0.0,1.0,416.6460000000002,27.0,3.0,CC(C)(O)CCCC(C)C1CCC2C(CCCC21C)=CC=C1CC(O)CC(O)C1=C,-0.20760831050174613,Calcitriol
CC(C)(OC(=O)C1C=C(C=CC=1Cl)N1C(=O)C=C(N(C)C1=O)C(F)(F)F)C(=O)OCC=C,6251.0,4.0,1.0,0.0,474.8190000000001,20.0,6.0,CC(C)(OC(=O)C1C=C(C=CC=1Cl)N1C(=O)C=C(N(C)C1=O)C(F)(F)F)C(=O)OCC=C,3.7959494989028033,Butafenacil
CC(C)(OC)OC,4500.0,1.0,2.0,0.0,104.149,5.0,2.0,CC(C)(OC)OC,3.6532125137753435,"2,2-Dimethoxypropane"
CC(C)(OC1=CC=C(CCNC(=O)C2C=CC(Cl)=CC=2)C=C1)C(O)=O,1082.0,4.0,0.0,0.0,361.8250000000001,19.0,4.0,CC(C)(OC1=CC=C(CCNC(=O)C2C=CC(Cl)=CC=2)C=C1)C(O)=O,3.0342272607705505,Bezafibrate
CC(C)(OC1=CC=CC=C1Cl)C(=O)NC1C=CC(=CC=1)C(=O)OCCN(CC)CC,4000.0,4.0,0.0,0.0,432.9480000000001,23.0,4.0,CC(C)(OC1=CC=CC=C1Cl)C(=O)NC1C=CC(=CC=1)C(=O)OCCN(CC)CC,3.6020599913279625,ML 1037
CC(C)(OC1C=CC(=CC=1)C(=O)C1C=CC(Cl)=CC=1)C(=O)NCCS(O)(=O)=O,3500.0,4.0,1.0,0.0,425.89000000000016,19.0,6.0,CC(C)(OC1C=CC(=CC=1)C(=O)C1C=CC(Cl)=CC=1)C(=O)NCCS(O)(=O)=O,3.5440680443502757,Alfa-1081
CC(C)(OC1C=CC(=CC=1)C(=O)C1C=CC(Cl)=CC=1)C(O)=O,1242.0,4.0,2.0,0.0,318.75600000000003,17.0,4.0,CC(C)(OC1C=CC(=CC=1)C(=O)C1C=CC(Cl)=CC=1)C(O)=O,3.0941215958405612,Fenofibric acid
CC(C)(OC1C=CC(=CC=1)C1CCCC2C=CC=CC=21)C(O)=O,900.0,4.0,2.0,0.0,310.39300000000003,20.0,3.0,CC(C)(OC1C=CC(=CC=1)C1CCCC2C=CC=CC=21)C(O)=O,2.9542425094393248,Nafenopin
CC(C)(OC1C=CC(Cl)=CC=1)C(=O)NC(=O)NCN1CCOCC1,4000.0,4.0,2.0,0.0,355.82200000000023,16.0,4.0,CC(C)(OC1C=CC(Cl)=CC=1)C(=O)NC(=O)NCN1CCOCC1,3.6020599913279625,Plafibride
CC(C)(OC1C=CC(Cl)=CC=1)C(=O)NCCCN(CC)CC,150.0,4.0,2.0,0.0,326.86800000000005,17.0,2.0,CC(C)(OC1C=CC(Cl)=CC=1)C(=O)NCCCN(CC)CC,2.1760912590556813,"Propionamide, 2-(p-chlorophenoxy)-N-(3-(diethylamino)propyl)-2-methyl-"
CC(C)(OC1C=CC(Cl)=CC=1)C(=O)NCCN(CC)CC,300.0,4.0,2.0,0.0,312.841,16.0,2.0,CC(C)(OC1C=CC(Cl)=CC=1)C(=O)NCCN(CC)CC,2.4771212547196626,"Propionamide, 2-(p-chlorophenoxy)-N-(2-(diethylamino)ethyl)-2-methyl-"
CC(C)(OC1C=CC(Cl)=CC=1)C(=O)OC1C(C)=C2CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)OC2=C(C)C=1C,10001.0,0.0,0.0,2.0,627.3500000000003,39.0,4.0,CC(C)(OC1C=CC(Cl)=CC=1)C(=O)OC1C(C)=C2CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)OC2=C(C)C=1C,4.000043427276863,
CC(C)(OC1C=CC(Cl)=CC=1)C(=O)OCC,940.0,4.0,2.0,0.0,242.702,12.0,3.0,CC(C)(OC1C=CC(Cl)=CC=1)C(=O)OCC,2.9731278535996988,Clofibrate
CC(C)(OC1C=CC(Cl)=CC=1)C(=O)OCC1=CC=CC(CO)=N1,1250.0,4.0,2.0,0.0,335.78700000000003,17.0,4.0,CC(C)(OC1C=CC(Cl)=CC=1)C(=O)OCC1=CC=CC(CO)=N1,3.0969100130080562,Pirifibrate hydrochloride
CC(C)(OC1C=CC(Cl)=CC=1)C(=O)OCCCOC(=O)C(C)(C)OC1C=CC(Cl)=CC=1,7300.0,4.0,0.0,1.0,469.3610000000002,23.0,6.0,CC(C)(OC1C=CC(Cl)=CC=1)C(=O)OCCCOC(=O)C(C)(C)OC1C=CC(Cl)=CC=1,3.863322860120456,Cholesolvin
CC(C)(OC1C=CC(Cl)=CC=1)C(O)=O,897.0,4.0,2.0,0.0,214.648,10.0,3.0,CC(C)(OC1C=CC(Cl)=CC=1)C(O)=O,2.952792443044092,Clofibric acid
CC(C)(OC1C=CC=CC=1)C(=O)OCCN1CCOCC1,7920.0,4.0,2.0,0.0,293.363,16.0,4.0,CC(C)(OC1C=CC=CC=1)C(=O)OCCN1CCOCC1,3.8987251815894934,2-Morpholinoethyl 2-phenoxyisobutyrate hydrochloride
CC(C)(ON=C(C1=CSC(N)=N1)C(=O)NC1C2SCC(C[N+]3C=CC=CC=3)=C(C([O-])=O)N2C1=O)C(O)=O,10001.0,2.0,1.0,3.0,546.5870000000002,22.0,7.0,CC(C)(ON=C(C1=CSC(N)=N1)C(=O)NC1C2SCC(C[N+]3C=CC=CC=3)=C(C([O-])=O)N2C1=O)C(O)=O,4.000043427276863,Ceftazidime
CC(C)(OO)C1C=CC=CC=1,382.0,3.0,2.0,0.0,152.19299999999998,9.0,2.0,CC(C)(OO)C1C=CC=CC=1,2.582063362911709,Cumene hydroperoxide
CC(C)(OOC(C)(C)C1C=CC=CC=1)C1C=CC=CC=1,3800.0,4.0,1.0,0.0,270.372,18.0,2.0,CC(C)(OOC(C)(C)C1C=CC=CC=1)C1C=CC=CC=1,3.57978359661681,Dicumyl peroxide
CC(C)(S)C(=O)NC(CS)C(O)=O,3900.0,4.0,1.0,0.0,223.319,7.0,3.0,CC(C)(S)C(=O)NC(CS)C(O)=O,3.591064607026499,Bucillamine
CC(C)(S)C(N)C(O)=O,6170.0,2.0,2.0,0.0,149.215,5.0,2.0,CC(C)(S)C(N)C(O)=O,3.7902851640332416,D-Penicillamine
CC(C)(SC(=O)N1CCCCC1)C1C=CC=CC=1,946.0,4.0,2.0,0.0,263.40599999999995,15.0,1.0,CC(C)(SC(=O)N1CCCCC1)C1C=CC=CC=1,2.975891136401793,Dimepiperate
CC(C)(SC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C)SC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C,7500.0,0.0,0.0,2.0,516.8570000000003,31.0,2.0,CC(C)(SC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C)SC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C,3.8750612633917,Probucol
CC(C)([N+]([O-])=O)C(C)(C)[N+]([O-])=O,50.0,4.0,2.0,0.0,176.17199999999997,6.0,4.0,CC(C)([N+]([O-])=O)C(C)(C)[N+]([O-])=O,1.6989700043360187,"Butane, 2,3-dimethyl-2,3-dinitro-"
CC(C)/N=C(O)/OCC(O)C1COC2=CC=CC=C2O1,1500.0,4.0,3.0,0.0,281.30800000000005,14.0,5.0,CC(C)/N=C(O)/OCC(O)C1COC2=CC=CC=C2O1,3.1760912590556813,
CC(C)=C(C1C=CC=CC=1)N(CCOCC)C(=O)CCl,983.0,4.0,1.0,0.0,295.81,16.0,2.0,CC(C)=C(C1C=CC=CC=1)N(CCOCC)C(=O)CCl,2.9925535178321354,Pethoxamid
CC(C)=C1CC2C(C)CCC=2C(C)CC1,7500.0,4.0,1.0,0.0,204.3569999999999,15.0,0.0,CC(C)=C1CC2C(C)CCC=2C(C)CC1,3.8750612633917,"(1S,4S)-1,4-Dimethyl-7-(propan-2-ylidene)-1,2,3,4,5,6,7,8-octahydroazulene"
CC(C)=C1CC=C(C)CC1,4390.0,3.0,2.0,0.0,136.238,10.0,0.0,CC(C)=C1CC=C(C)CC1,3.6424645202421213,Terpinolene
CC(C)=C1CCC(C)CC1=O,470.0,3.0,2.0,0.0,152.237,10.0,1.0,CC(C)=C1CCC(C)CC1=O,2.6720978579357175,R-(+)-Pulegone
CC(C)=CC(=O)OC1C(=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O)C(C)CC,60.5,4.0,1.0,0.0,322.31700000000006,15.0,6.0,CC(C)=CC(=O)OC1C(=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O)C(C)CC,1.7817553746524688,Binapacryl
CC(C)=CC(=O)OCC,10001.0,2.0,2.0,0.0,128.17099999999996,7.0,2.0,CC(C)=CC(=O)OCC,4.000043427276863,"2-Butenoic acid, 3-methyl-, ethyl ester"
CC(C)=CC(C)=O,887.5,1.0,2.0,0.0,98.145,6.0,1.0,CC(C)=CC(C)=O,2.9481683617271317,4-Methylpent-3-en-2-one
CC(C)=CC(O)=O,3560.0,1.0,2.0,0.0,100.117,5.0,2.0,CC(C)=CC(O)=O,3.5514499979728753,"3,3-Dimethylacrylic acid"
CC(C)=CC1=CC=C(C=C1)C(C)C(O)=O,1295.0,4.0,2.0,0.0,204.269,13.0,2.0,CC(C)=CC1=CC=C(C=C1)C(C)C(O)=O,3.1122697684172707,
CC(C)=CC1C(C(=O)OC(C#C)C(C)=CCC)C1(C)C,1680.0,4.0,1.0,0.0,274.404,18.0,2.0,CC(C)=CC1C(C(=O)OC(C#C)C(C)=CCC)C1(C)C,3.225309281725863,Empenthrin
CC(C)=CC1C(C(=O)OC(C#N)C2C=C(C=CC=2)OC2C=CC=CC=2)C1(C)C,318.0,3.0,0.0,1.0,375.4680000000001,24.0,3.0,CC(C)=CC1C(C(=O)OC(C#N)C2C=C(C=CC=2)OC2C=CC=CC=2)C1(C)C,2.5024271199844326,Cyphenothrin
CC(C)=CC1C(C(=O)OC2CC(=O)C(C3CCC=C3)=C2C)C1(C)C,1410.0,4.0,1.0,0.0,328.4520000000001,21.0,3.0,CC(C)=CC1C(C(=O)OC2CC(=O)C(C3CCC=C3)=C2C)C1(C)C,3.1492191126553797,Cyclethrin
CC(C)=CC1C(C(=O)OC2CC(=O)C(CC#C)=C2C)C1(C)C,460.0,4.0,2.0,0.0,300.398,19.0,3.0,CC(C)=CC1C(C(=O)OC2CC(=O)C(CC#C)=C2C)C1(C)C,2.662757831681574,Prallethrin
CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C,685.0,4.0,1.0,0.0,302.41400000000004,19.0,3.0,CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C,2.8356905714924254,Allethrin
CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=CC)=C2C)C1(C)C,1533.0,4.0,1.0,0.0,316.4410000000001,20.0,3.0,CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=CC)=C2C)C1(C)C,3.185542154854375,Cinerin I
CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=CC=C)=C2C)C1(C)C,838.0,4.0,1.0,0.0,328.4520000000001,21.0,3.0,CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=CC=C)=C2C)C1(C)C,2.9232440186302764,Pyrethrin I
CC(C)=CC1C(C(=O)OCC)C1(C)C,2600.0,4.0,1.0,0.0,196.28999999999996,12.0,2.0,CC(C)=CC1C(C(=O)OCC)C1(C)C,3.4149733479708178,Ethyl chrysanthemate
CC(C)=CC1C(C(=O)OCC2=CC3OCOC=3C=C2Cl)C1(C)C,10001.0,4.0,1.0,0.0,336.8150000000001,18.0,4.0,CC(C)=CC1C(C(=O)OCC2=CC3OCOC=3C=C2Cl)C1(C)C,4.000043427276863,Barthrin
CC(C)=CC1C(C(=O)OCC2C=C(C=CC=2)OC2C=CC=CC=2)C1(C)C,5126.0,3.0,0.0,1.0,350.4580000000001,23.0,3.0,CC(C)=CC1C(C(=O)OCC2C=C(C=CC=2)OC2C=CC=CC=2)C1(C)C,3.709778601848225,Phenothrin
CC(C)=CC1C(C(=O)OCC2C=C(CC3C=CC=CC=3)OC=2)C1(C)C,1244.0,4.0,1.0,1.0,338.44700000000006,22.0,3.0,CC(C)=CC1C(C(=O)OCC2C=C(CC3C=CC=CC=3)OC=2)C1(C)C,3.0948203803548,Bioresmethrin
CC(C)=CC1C(C(=O)OCC2C=CC(C)=CC=2C)C1(C)C,10001.0,4.0,1.0,0.0,286.415,19.0,2.0,CC(C)=CC1C(C(=O)OCC2C=CC(C)=CC=2C)C1(C)C,4.000043427276863,Dimethrin
CC(C)=CC1C(C(=O)OCN2C(=O)C3CCCCC=3C2=O)C1(C)C,4675.0,4.0,2.0,0.0,331.4120000000001,19.0,4.0,CC(C)=CC1C(C(=O)OCN2C(=O)C3CCCCC=3C2=O)C1(C)C,3.6697816152085365,Tetramethrin
CC(C)=CC1C(C(=O)OCN2C(=O)CN(CC#C)C2=O)C1(C)C,1950.0,4.0,2.0,0.0,318.3730000000001,17.0,4.0,CC(C)=CC1C(C(=O)OCN2C(=O)CN(CC#C)C2=O)C1(C)C,3.290034611362518,Imiprothrin
CC(C)=CC1C(C(O)=O)C1(C)C,2500.0,4.0,2.0,0.0,168.23599999999996,10.0,2.0,CC(C)=CC1C(C(O)=O)C1(C)C,3.3979400086720375,"Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-"
CC(C)=CC1CC(=C)CCO1,3500.0,3.0,2.0,0.0,152.23699999999997,10.0,1.0,CC(C)=CC1CC(=C)CCO1,3.5440680443502757,"2H-Pyran, tetrahydro-4-methylene-2-(2-methyl-1-propen-1-yl)-"
CC(C)=CC1CC(C)=CCO1,7500.0,3.0,2.0,0.0,152.23699999999997,10.0,1.0,CC(C)=CC1CC(C)=CCO1,3.8750612633917,Nerol oxide
CC(C)=CC=O,749.0,1.0,2.0,0.0,84.118,5.0,1.0,CC(C)=CC=O,2.8744818176994666,3-Methylbut-2-enal
CC(C)=CCC(C)=CCOC(=O)C1C=CC=CC=1,7500.0,4.0,0.0,0.0,244.334,16.0,2.0,CC(C)=CCC(C)=CCOC(=O)C1C=CC=CC=1,3.8750612633917,"(2E)-3,6-Dimethylhepta-2,5-dien-1-yl benzoate"
CC(C)=CCC(CCN(C)C)(CC1=CC=CC2=CC=CC=C12)C#N,800.0,4.0,1.0,1.0,320.4800000000001,22.0,0.0,CC(C)=CCC(CCN(C)C)(CC1=CC=CC2=CC=CC=C12)C#N,2.9030899869919438,
CC(C)=CCC(CCN(C)CC)(C#N)C1=CC=CC2=CC=CC=C21,800.0,4.0,1.0,1.0,320.4800000000001,22.0,0.0,CC(C)=CCC(CCN(C)CC)(C#N)C1=CC=CC2=CC=CC=C21,2.9030899869919438,
CC(C)=CCC(CCN1CCCCC1)(C#N)C1=CC=CC2=CC=CC=C21,400.0,3.0,1.0,1.0,346.51800000000003,24.0,0.0,CC(C)=CCC(CCN1CCCCC1)(C#N)C1=CC=CC2=CC=CC=C21,2.6020599913279625,
CC(C)=CCC(CCN1CCCCC1)(C(N)=O)C1C=CC=C2C=CC=CC2=1,57.0,4.0,0.0,0.0,364.533,24.0,1.0,CC(C)=CCC(CCN1CCCCC1)(C(N)=O)C1C=CC=C2C=CC=CC2=1,1.7558748556724915,
CC(C)=CCC(CCN1CCOCC1)(C(N)=O)C1C=CC=C2C=CC=CC2=1,177.0,4.0,0.0,0.0,366.505,23.0,2.0,CC(C)=CCC(CCN1CCOCC1)(C(N)=O)C1C=CC=C2C=CC=CC2=1,2.247973266361807,
CC(C)=CCC1C(=O)N(C2C=CC=CC=2)N(C2C=CC=CC=2)C1=O,1343.0,4.0,2.0,0.0,320.3920000000001,20.0,2.0,CC(C)=CCC1C(=O)N(C2C=CC=CC=2)N(C2C=CC=CC=2)C1=O,3.1280760126687155,Feprazone
CC(C)=CCC1C2OC(=O)C=CC=2C=CC=1OC,2905.0,4.0,2.0,0.0,244.2899999999999,15.0,3.0,CC(C)=CCC1C2OC(=O)C=CC=2C=CC=1OC,3.4631461367263494,Osthole
CC(C)=CCC1C=C(C=CC=1O)C(=O)NC1C(=O)C2=CC=C(OC3OC(C)(C)C(OC)C(OC(N)=O)C3O)C(C)=C2OC1=O,3500.0,1.0,1.0,3.0,612.6320000000003,31.0,11.0,CC(C)=CCC1C=C(C=CC=1O)C(=O)NC1C(=O)C2=CC=C(OC3OC(C)(C)C(OC)C(OC(N)=O)C3O)C(C)=C2OC1=O,3.5440680443502757,Novobiocin
CC(C)=CCCC(=C)C=C,7223.0,3.0,2.0,0.0,136.238,10.0,0.0,CC(C)=CCCC(=C)C=C,3.8587176148602915,Myrcene
CC(C)=CCCC(C)(C#C)OC(C)=O,9618.0,4.0,1.0,0.0,194.27399999999997,12.0,2.0,CC(C)=CCCC(C)(C#C)OC(C)=O,3.9830847727377883,CERAPP_38665
CC(C)=CCCC(C)(C)O,7500.0,3.0,1.0,0.0,142.24200000000002,9.0,1.0,CC(C)=CCCC(C)(C)O,3.8750612633917,"5-Hepten-2-ol, 2,6-dimethyl-"
CC(C)=CCCC(C)(C=C)OC(=O)C(C)C,10001.0,4.0,0.0,0.0,224.34399999999997,14.0,2.0,CC(C)=CCCC(C)(C=C)OC(=O)C(C)C,4.000043427276863,Linalyl isobutyrate
CC(C)=CCCC(C)(C=C)OC(=O)C1=CC=CC=C1N,4250.0,4.0,1.0,0.0,273.37600000000003,17.0,2.0,CC(C)=CCCC(C)(C=C)OC(=O)C1=CC=CC=C1N,3.6283889300503116,Linalyl anthranilate
CC(C)=CCCC(C)(C=C)OC(=O)C1C=CC=CC=1,7500.0,4.0,1.0,0.0,258.361,17.0,2.0,CC(C)=CCCC(C)(C=C)OC(=O)C1C=CC=CC=1,3.8750612633917,Linalyl benzoate
CC(C)=CCCC(C)(C=C)OC(=O)C=CC1C=CC=CC=1,9960.0,4.0,1.0,0.0,284.399,19.0,2.0,CC(C)=CCCC(C)(C=C)OC(=O)C=CC1C=CC=CC=1,3.998259338423699,Linalyl cinnamate
CC(C)=CCCC(C)(C=C)OC(=O)CC,7500.0,4.0,0.0,0.0,210.31699999999995,13.0,2.0,CC(C)=CCCC(C)(C=C)OC(=O)CC,3.8750612633917,"3,7-Dimethylocta-1,6-dien-3-yl propanoate"
CC(C)=CCCC(C)(C=C)OC(=O)CC1C=CC=CC=1,7500.0,4.0,1.0,0.0,272.388,18.0,2.0,CC(C)=CCCC(C)(C=C)OC(=O)CC1C=CC=CC=1,3.8750612633917,CERAPP_32870
CC(C)=CCCC(C)(C=C)OC(=O)N(C)C,3500.0,4.0,1.0,0.0,225.33199999999997,13.0,2.0,CC(C)=CCCC(C)(C=C)OC(=O)N(C)C,3.5440680443502757,"Carbamic acid, N,N-dimethyl-, 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester"
CC(C)=CCCC(C)(C=C)OC(C)=O,10001.0,4.0,1.0,0.0,196.28999999999996,12.0,2.0,CC(C)=CCCC(C)(C=C)OC(C)=O,4.000043427276863,Linalyl acetate
CC(C)=CCCC(C)(C=C)OC=O,7500.0,4.0,1.0,0.0,182.263,11.0,2.0,CC(C)=CCCC(C)(C=C)OC=O,3.8750612633917,Linalyl formate
CC(C)=CCCC(C)(O)C1CC=C(C)CC1,7500.0,4.0,0.0,0.0,222.37199999999996,15.0,1.0,CC(C)=CCCC(C)(O)C1CC=C(C)CC1,3.8750612633917,Bisabolol
CC(C)=CCCC(C)=C1CC=C(C)CC1,7500.0,4.0,1.0,1.0,204.35699999999997,15.0,0.0,CC(C)=CCCC(C)=C1CC=C(C)CC1,3.8750612633917,2-Methyl-6-(4-methylcyclohex-3-en-1-ylidene)hept-2-ene
CC(C)=CCCC(C)=CC(=O)OCCC(C)C,7500.0,4.0,0.0,0.0,238.37099999999995,15.0,2.0,CC(C)=CCCC(C)=CC(=O)OCCC(C)C,3.8750612633917,"2,6-Octadienoic acid, 3,7-dimethyl-, 3-methylbutyl ester, (2E)-"
CC(C)=CCCC(C)=CC(O)=O,3700.0,4.0,2.0,0.0,168.236,10.0,2.0,CC(C)=CCCC(C)=CC(O)=O,3.568201724066995,Geranic acid
CC(C)=CCCC(C)=CC(OCC)OCC,7500.0,4.0,0.0,0.0,226.36,14.0,2.0,CC(C)=CCCC(C)=CC(OCC)OCC,3.8750612633917,Citral diethyl acetal
CC(C)=CCCC(C)=CC1OCCO1,7500.0,4.0,2.0,0.0,196.28999999999996,12.0,2.0,CC(C)=CCCC(C)=CC1OCCO1,3.8750612633917,"1,3-Dioxolane, 2-(2,6-dimethyl-1,5-heptadienyl)-"
CC(C)=CCCC(C)=CC=CC(=O)CC,7500.0,4.0,0.0,0.0,206.32899999999995,14.0,1.0,CC(C)=CCCC(C)=CC=CC(=O)CC,3.8750612633917,"4,6,10-Dodecatrien-3-one, 7,11-dimethyl-"
CC(C)=CCCC(C)=CC=CC(C)=O,4501.0,4.0,0.0,0.0,192.30199999999996,13.0,1.0,CC(C)=CCCC(C)=CC=CC(C)=O,3.653309012938479,"3,5,9-Undecatrien-2-one, 6,10-dimethyl-"
CC(C)=CCCC(C)=CC=O,4955.0,3.0,2.0,0.0,152.237,10.0,1.0,CC(C)=CCCC(C)=CC=O,3.695043658821294,"3,7-Dimethyl-2,6-octadienal"
CC(C)=CCCC(C)=CCCC(=C)C=C,6251.0,4.0,0.0,1.0,204.35699999999997,15.0,0.0,CC(C)=CCCC(C)=CCCC(=C)C=C,3.7959494989028033,trans-beta-Farnesene
CC(C)=CCCC(C)=CCCC(C)(O)C=C,5327.0,4.0,0.0,0.0,222.37199999999996,15.0,1.0,CC(C)=CCCC(C)=CCCC(C)(O)C=C,3.7264826967848297,Nerolidol
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)(O)C=C,7500.0,3.0,1.0,1.0,290.491,20.0,1.0,CC(C)=CCCC(C)=CCCC(C)=CCCC(C)(O)C=C,3.8750612633917,"1,6,10,14-Hexadecatetraen-3-ol, 3,7,11,15-tetramethyl-, (6E,10E)-"
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=O,10001.0,3.0,1.0,1.0,330.5560000000001,23.0,1.0,CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=O,4.000043427276863,Teprenone
CC(C)=CCCC(C)=CCCC(C)=CCOC(=O)CC1C2C=C(C=CC=2N(C(=O)C2C=CC(Cl)=CC=2)C=1C)OC,1680.0,0.0,0.0,2.0,562.1500000000003,34.0,4.0,CC(C)=CCCC(C)=CCCC(C)=CCOC(=O)CC1C2C=C(C=CC=2N(C(=O)C2C=CC(Cl)=CC=2)C=1C)OC,3.225309281725863,Indomethacin farnesil
CC(C)=CCCC(C)=CCCC(C)=O,6438.0,4.0,0.0,0.0,194.318,13.0,1.0,CC(C)=CCCC(C)=CCCC(C)=O,3.808750972349595,"6,10-Dimethyl-5,9-undecadiene-2-one"
CC(C)=CCCC(C)=CCCC=O,7500.0,4.0,0.0,0.0,180.29099999999997,12.0,1.0,CC(C)=CCCC(C)=CCCC=O,3.8750612633917,"5,9-Dimethyl-4,8-decadienal"
CC(C)=CCCC(C)=CCO,4500.0,3.0,1.0,0.0,154.253,10.0,1.0,CC(C)=CCCC(C)=CCO,3.6532125137753435,"(2Z)-3,7-Dimethylocta-2,6-dien-1-ol"
CC(C)=CCCC(C)=CCOC(=O)C(C)C,7500.0,4.0,0.0,0.0,224.34399999999997,14.0,2.0,CC(C)=CCCC(C)=CCOC(=O)C(C)C,3.8750612633917,"(2E)-3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate"
CC(C)=CCCC(C)=CCOC(=O)C=CC,7500.0,4.0,0.0,0.0,222.32799999999995,14.0,2.0,CC(C)=CCCC(C)=CCOC(=O)C=CC,3.8750612633917,"2-Butenoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester"
CC(C)=CCCC(C)=CCOC(=O)CC1C=CC=CC=1,7500.0,4.0,1.0,0.0,272.388,18.0,2.0,CC(C)=CCCC(C)=CCOC(=O)CC1C=CC=CC=1,3.8750612633917,"(1E)-2,6-Dimethylhepta-1,5-dien-1-yl phenylacetate"
CC(C)=CCCC(C)=CCOC(=O)CCC,10001.0,4.0,0.0,0.0,224.3439999999999,14.0,2.0,CC(C)=CCCC(C)=CCOC(=O)CCC,4.000043427276863,Geranyl butyrate
CC(C)=CCCC(C)=CCOC(C)=O,6330.0,4.0,1.0,0.0,196.29,12.0,2.0,CC(C)=CCCC(C)=CCOC(C)=O,3.801403710017355,Geranyl acetate
CC(C)=CCCC(C)=CCOC(CCCCCCCCC=C)OCC=C(C)CCC=C(C)C,7500.0,1.0,0.0,1.0,458.7710000000003,31.0,2.0,CC(C)=CCCC(C)=CCOC(CCCCCCCCC=C)OCC=C(C)CCC=C(C)C,3.8750612633917,"1-Undecene, 11,11-bis[(3,7-dimethyl-2,6-octadienyl)oxy]-"
CC(C)=CCCC(C)=CCOC=O,6000.0,4.0,1.0,0.0,182.263,11.0,2.0,CC(C)=CCCC(C)=CCOC=O,3.7781512503836434,"(2E)-3,7-Dimethylocta-2,6-dien-1-yl formate"
CC(C)=CCCC(C)=CCOCC,7500.0,4.0,0.0,0.0,182.307,12.0,1.0,CC(C)=CCCC(C)=CCOCC,3.8750612633917,"2,6-Octadiene, 1-ethoxy-3,7-dimethyl-"
CC(C)=CCCC(C)=O,3570.0,2.0,2.0,0.0,126.19899999999998,8.0,1.0,CC(C)=CCCC(C)=O,3.552668216112193,6-Methyl-5-hepten-2-one
CC(C)=CCCC(C)CC(O)=O,2610.0,4.0,1.0,0.0,170.252,10.0,2.0,CC(C)=CCCC(C)CC(O)=O,3.416640507338281,Citronellic acid
CC(C)=CCCC(C)CCCC(C)=O,7500.0,4.0,0.0,0.0,196.33399999999995,13.0,1.0,CC(C)=CCCC(C)CCCC(C)=O,3.8750612633917,"6,10-Dimethyl-9-undecen-2-one"
CC(C)=CCCC(C)CCOC(=O)C(C)=CC,7500.0,4.0,0.0,0.0,238.37099999999995,15.0,2.0,CC(C)=CCCC(C)CCOC(=O)C(C)=CC,3.8750612633917,Citronellyl tiglate
CC(C)=CCCC(C)CCOC(=O)CC,7500.0,4.0,0.0,0.0,212.3329999999999,13.0,2.0,CC(C)=CCCC(C)CCOC(=O)CC,3.8750612633917,Citronellyl propionate
CC(C)=CCCC(C)CCOC(=O)CC1C=CC=CC=1,7500.0,4.0,1.0,0.0,274.404,18.0,2.0,CC(C)=CCCC(C)CCOC(=O)CC1C=CC=CC=1,3.8750612633917,CERAPP_27001
CC(C)=CCCC(C)CCOC(=O)CCC,7500.0,4.0,0.0,0.0,226.35999999999996,14.0,2.0,CC(C)=CCCC(C)CCOC(=O)CCC,3.8750612633917,Citronellyl butyrate
CC(C)=CCCC(C)CCOC(C)=O,6800.0,4.0,1.0,0.0,198.306,12.0,2.0,CC(C)=CCCC(C)CCOC(C)=O,3.832508912706236,Citronellyl acetate
CC(C)=CCCC1CC(COC(C)=O)CCC=1,6000.0,4.0,0.0,0.0,236.35499999999996,15.0,2.0,CC(C)=CCCC1CC(COC(C)=O)CCC=1,3.7781512503836434,3(or 4)-(4-Methylpenten-3-yl)cyclohex-3-ene-1-methyl acetate
CC(C)=CCN1CCC2(C)C(C)C1CC1C=CC(O)=CC2=1,1110.0,4.0,2.0,0.0,285.43100000000004,19.0,1.0,CC(C)=CCN1CCC2(C)C(C)C1CC1C=CC(O)=CC2=1,3.0453229787866576,dl-Pentazocine
CC(C)=CCO,1200.0,1.0,2.0,0.0,86.134,5.0,1.0,CC(C)=CCO,3.0791812460476247,3-Methyl-2-buten-1-ol
CC(C)=CCOC(=O)C1C=CC=CC=1,4700.0,4.0,2.0,0.0,190.242,12.0,2.0,CC(C)=CCOC(=O)C1C=CC=CC=1,3.6720978579357175,3-Methyl-2-butenyl benzoate
CC(C)=CCOC(C)=O,3000.0,2.0,2.0,0.0,128.171,7.0,2.0,CC(C)=CCOC(C)=O,3.4771212547196626,"3,3-Dimethylallyl acetate"
CC(C)=CCOC1C=C(OCC(O)=O)C(=CC=1)C(=O)C=CC1C=CC(=CC=1)OCC=C(C)C,10000.0,3.0,0.0,1.0,450.53100000000023,27.0,6.0,CC(C)=CCOC1C=C(OCC(O)=O)C(=CC=1)C(=O)C=CC1C=CC(=CC=1)OCC=C(C)C,4.0,Sofalcone
CC(C)=CCSCC(N)C(O)=O,4000.0,4.0,1.0,0.0,189.28,8.0,2.0,CC(C)=CCSCC(N)C(O)=O,3.6020599913279625,Prenisteine
CC(C)=CCl,4465.0,1.0,2.0,0.0,90.553,4.0,0.0,CC(C)=CCl,3.649821463224565,"2,2-Dimethylvinyl chloride"
CC(C)=COC(=O)C1=CC=CC=C1C,3200.0,4.0,2.0,0.0,190.242,12.0,2.0,CC(C)=COC(=O)C1=CC=CC=C1C,3.505149978319906,3-Methyl-2-butenyl salicylate
CC(C)=NN=C(C)C,423.0,2.0,2.0,0.0,112.176,6.0,0.0,CC(C)=NN=C(C)C,2.6263403673750423,"2-Propanone, (1-methylethylidene)hydrazone"
CC(C)=NOC(=O)NC1C=CC=CC=1,1540.0,4.0,2.0,0.0,192.218,10.0,2.0,CC(C)=NOC(=O)NC1C=CC=CC=1,3.187520720836463,Proximphan
CC(C)=NOCCOC(=O)C(C)OC1C=CC(=CC=1)OC1C=NC2C=C(Cl)C=CC=2N=1,7500.0,4.0,0.0,0.0,443.88700000000017,22.0,5.0,CC(C)=NOCCOC(=O)C(C)OC1C=CC(=CC=1)OC1C=NC2C=C(Cl)C=CC=2N=1,3.8750612633917,Propaquizafop
CC(C)=O,7125.0,1.0,2.0,0.0,58.080000000000005,3.0,1.0,CC(C)=O,3.8527848686805477,Acetone
CC(C)Br,3500.0,1.0,2.0,0.0,122.993,3.0,0.0,CC(C)Br,3.5440680443502757,2-Bromopropane
CC(C)C#N,62.0,1.0,2.0,0.0,69.107,4.0,0.0,CC(C)C#N,1.792391689498254,2-Methylpropanenitrile
CC(C)C(=O)C(C)C,3590.0,2.0,2.0,0.0,114.18799999999996,7.0,1.0,CC(C)C(=O)C(C)C,3.5550944485783194,"2,4-Dimethylpentan-3-one"
CC(C)C(=O)C1C(=NN2C=CC=CC2=1)C(C)C,1340.0,4.0,2.0,0.0,230.311,14.0,1.0,CC(C)C(=O)C1C(=NN2C=CC=CC2=1)C(C)C,3.1271047983648077,Ibudilast
CC(C)C(=O)C1C=CC=CC=1,2029.0,3.0,2.0,0.0,148.20499999999998,10.0,1.0,CC(C)C(=O)C1C=CC=CC=1,3.307282047033346,Isopropyl phenyl ketone
CC(C)C(=O)Cl,1095.0,1.0,2.0,0.0,106.552,4.0,1.0,CC(C)C(=O)Cl,3.0394141191761372,2-Methylpropanoyl chloride
CC(C)C(=O)N(C)C(=O)OC1C=C(C=CC=1)C(C)C,631.0,4.0,2.0,0.0,263.337,15.0,3.0,CC(C)C(=O)N(C)C(=O)OC1C=C(C=CC=1)C(C)C,2.8000293592441343,
CC(C)C(=O)NC(N)=S,3.0,1.0,2.0,0.0,146.215,5.0,1.0,CC(C)C(=O)NC(N)=S,0.47712125471966244,N-Carbamothioyl-2-methylpropanamide
CC(C)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F,787.0,4.0,3.0,0.0,276.21399999999994,11.0,3.0,CC(C)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F,2.8959747323590648,Flutamide
CC(C)C(=O)NC1NC2=C(N=CN2C2CC(O)C(COC(C3C=CC=CC=3)(C3C=CC(=CC=3)OC)C3C=CC(=CC=3)OC)O2)C(=O)N=1,3500.0,1.0,0.0,1.0,639.7090000000002,35.0,7.0,CC(C)C(=O)NC1NC2=C(N=CN2C2CC(O)C(COC(C3C=CC=CC=3)(C3C=CC(=CC=3)OC)C3C=CC(=CC=3)OC)O2)C(=O)N=1,3.5440680443502757,"Guanosine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-N-(2-methyl-1-oxopropyl)-"
CC(C)C(=O)OC(=O)C(C)C,7700.0,3.0,2.0,0.0,158.19699999999995,8.0,3.0,CC(C)C(=O)OC(=O)C(C)C,3.886490725172482,Isobutyric anhydride
CC(C)C(=O)OC(C(C)C)C(C)(C)COC(=O)C(C)C,3200.0,4.0,2.0,0.0,286.412,16.0,4.0,CC(C)C(=O)OC(C(C)C)C(C)(C)COC(=O)C(C)C,3.505149978319906,"2,2,4-Trimethyl-1,3-pentanediol diisobutyrate"
CC(C)C(=O)OC1C=C(CCNC)C=CC=1OC(=O)C(C)C,2926.0,4.0,2.0,0.0,307.39,17.0,4.0,CC(C)C(=O)OC1C=C(CCNC)C=CC=1OC(=O)C(C)C,3.466274321789292,"N-Methyldopamine,O,O'-diisobutyroylester hydrochloride"
CC(C)C(=O)OCC(C)(C)C(OC(=O)C1=CC=CC=C1C(=O)OCC1C=CC=CC=1)C(C)C,10001.0,4.0,0.0,1.0,454.5630000000002,27.0,6.0,CC(C)C(=O)OCC(C)(C)C(OC(=O)C1=CC=CC=C1C(=O)OCC1C=CC=CC=1)C(C)C,4.000043427276863,"1,2-Benzenedicarboxylic acid, 2,2-dimethyl-1-(1-methylethyl)-3-(2-methyl-1-oxopropoxy)propyl phenylmethyl ester"
CC(C)C(=O)OCC(C)C,10001.0,3.0,2.0,0.0,144.21399999999997,8.0,2.0,CC(C)C(=O)OCC(C)C,4.000043427276863,Isobutyl isobutyrate
CC(C)C(=O)OCC1C=CC=CC=1,2850.0,4.0,2.0,0.0,178.231,11.0,2.0,CC(C)C(=O)OCC1C=CC=CC=1,3.45484486000851,Benzyl 2-methylpropanoate
CC(C)C(=O)OCC=CC1C=CC=CC=1,7500.0,4.0,2.0,0.0,204.269,13.0,2.0,CC(C)C(=O)OCC=CC1C=CC=CC=1,3.8750612633917,3-Phenylprop-2-en-1-yl 2-methylpropanoate
CC(C)C(=O)OCCC1C=CC=CC=1,5200.0,4.0,2.0,0.0,192.258,12.0,2.0,CC(C)C(=O)OCCC1C=CC=CC=1,3.716003343634799,2-Phenylethyl 2-methylpropanoate
CC(C)C(=O)OCCOC1C=CC=CC=1,7500.0,4.0,2.0,0.0,208.257,12.0,3.0,CC(C)C(=O)OCCOC1C=CC=CC=1,3.8750612633917,Phenoxyethyl isobutyrate
CC(C)C(=O)OOC(=O)C(C)C,2751.0,4.0,2.0,0.0,174.19599999999997,8.0,4.0,CC(C)C(=O)OOC(=O)C(C)C,3.4394905903896835,"Peroxide, bis(2-methyl-1-oxopropyl)"
CC(C)C(=O)OOC(C)(C)C,2751.0,4.0,2.0,0.0,160.21299999999997,8.0,3.0,CC(C)C(=O)OOC(C)(C)C,3.4394905903896835,"Propaneperoxoic acid, 2-methyl-, 1,1-dimethylethyl ester"
CC(C)C(Br)C(=O)NC(N)=O,1000.0,4.0,2.0,0.0,223.07,6.0,2.0,CC(C)C(Br)C(=O)NC(N)=O,3.0,Bromisovalum
CC(C)C(Br)C(O)=O,769.0,2.0,2.0,0.0,181.029,5.0,2.0,CC(C)C(Br)C(O)=O,2.885926339801431,CERAPP_53814
CC(C)C(C(=O)OC(C#N)C1=CC=CC(=C1)OC1=CC=CC=C1)C1=CC=C(C=C1)OC(F)F,74.0,3.0,0.0,1.0,451.4690000000001,26.0,4.0,CC(C)C(C(=O)OC(C#N)C1=CC=CC(=C1)OC1=CC=CC=C1)C1=CC=C(C=C1)OC(F)F,1.8692317197309762,Flucythrinate
CC(C)C(C(=O)OCC1C=CC=CC=1)N(CC1C=CC(=CC=1)C1=CC=CC=C1C1=NNN=N1)C(=O)CCCC,1500.0,0.0,0.0,2.0,525.6530000000002,31.0,3.0,CC(C)C(C(=O)OCC1C=CC=CC=1)N(CC1C=CC(=CC=1)C1=CC=CC=C1C1=NNN=N1)C(=O)CCCC,3.1760912590556813,Valsartan benzyl ester
CC(C)C(C(C)CCC)C1=CC=C(O)C=C1,1900.0,4.0,0.0,0.0,220.356,15.0,1.0,CC(C)C(C(C)CCC)C1=CC=C(O)C=C1,3.278753600952829,"4-(2,4-Dimethylheptan-3-yl)phenol"
CC(C)C(C(O)=O)N(CC1C=CC(=CC=1)C1=CC=CC=C1C1NN=NN=1)C(=O)CCCC,2751.0,4.0,0.0,0.0,435.52800000000013,24.0,3.0,CC(C)C(C(O)=O)N(CC1C=CC(=CC=1)C1=CC=CC=C1C1NN=NN=1)C(=O)CCCC,3.4394905903896835,Valsartan
CC(C)C(C)(N)C#N,83.0,2.0,2.0,0.0,112.176,6.0,0.0,CC(C)C(C)(N)C#N,1.919078092376074,"2-Amino-2,3-dimethylbutanenitrile"
CC(C)C(C)=O,3289.0,1.0,2.0,0.0,86.134,5.0,1.0,CC(C)C(C)=O,3.5170638734826545,3-Methyl-2-butanone
CC(C)C(C)C=CC(C)C1CCC2C(CCCC21C)=CC=C1CC(O)CC(O)C1=C,3.5,2.0,0.0,1.0,412.6580000000002,28.0,2.0,CC(C)C(C)C=CC(C)C1CCC2C(CCCC21C)=CC=C1CC(O)CC(O)C1=C,0.5440680443502757,1-alpha-Hydroxyergocalciferol
CC(C)C(C)C=CC(C)C1CCC2C(CCCC21C)=CC=C1CC(O)CCC1=C,10.0,2.0,0.0,1.0,396.6590000000001,28.0,1.0,CC(C)C(C)C=CC(C)C1CCC2C(CCCC21C)=CC=C1CC(O)CCC1=C,1.0,Ergocalciferol
CC(C)C(C)N(CC)C(=O)SCC1=CC=CC=C1,3500.0,4.0,1.0,0.0,265.422,15.0,1.0,CC(C)C(C)N(CC)C(=O)SCC1=CC=CC=C1,3.5440680443502757,Esprocarb
CC(C)C(C)NC1N=C(N=C(NCC)N=1)SC,3000.0,4.0,2.0,0.0,255.391,11.0,0.0,CC(C)C(C)NC1N=C(N=C(NCC)N=1)SC,3.4771212547196626,Dimethametryn
CC(C)C(C1=CC(C)=CC(C)=C1O)C1=CC(C)=CC(C)=C1O,500.0,4.0,1.0,1.0,298.42600000000004,20.0,2.0,CC(C)C(C1=CC(C)=CC(C)=C1O)C1=CC(C)=CC(C)=C1O,2.6989700043360187,CERAPP_39224
CC(C)C(C1=CC=C(Cl)C=C1)C(=O)OC(C#N)C1C=C(C=CC=1)OC1C=CC=CC=1,673.0,3.0,0.0,1.0,419.908,25.0,3.0,CC(C)C(C1=CC=C(Cl)C=C1)C(=O)OC(C#N)C1C=C(C=CC=1)OC1C=CC=CC=1,2.828015064223977,Fenvalerate
CC(C)C(CC(C)N(C)C)(C#N)C1C=CC=CC=1,250.0,4.0,1.0,0.0,244.382,16.0,0.0,CC(C)C(CC(C)N(C)C)(C#N)C1C=CC=CC=1,2.3979400086720375,Isoaminile
CC(C)C(CC)OC(=O)C=CC,3500.0,4.0,1.0,0.0,170.25199999999998,10.0,2.0,CC(C)C(CC)OC(=O)C=CC,3.5440680443502757,"2-Butenoic acid, 1-ethyl-2-methylpropyl ester, (2E)-"
CC(C)C(NC(N)=O)NC(N)=O,10000.0,3.0,2.0,0.0,174.20399999999998,6.0,2.0,CC(C)C(NC(N)=O)NC(N)=O,4.0,Isobutylidene diurea
CC(C)C(NC1C=CC(=CC=1Cl)C(F)(F)F)C(=O)OC(C#N)C1C=C(C=CC=1)OC1C=CC=CC=1,271.5,2.0,0.0,2.0,502.9200000000002,26.0,3.0,CC(C)C(NC1C=CC(=CC=1Cl)C(F)(F)F)C(=O)OC(C#N)C1C=C(C=CC=1)OC1C=CC=CC=1,2.433769833924866,Fluvalinate
CC(C)C(O)(C1C=NC=NC=1)C1C=CC(=CC=1)OC(F)(F)F,709.0,4.0,3.0,0.0,312.29099999999994,15.0,2.0,CC(C)C(O)(C1C=NC=NC=1)C1C=CC(=CC=1)OC(F)(F)F,2.8506462351830666,Flurprimidol
CC(C)C(O)=O,2092.0,1.0,2.0,0.0,88.10599999999998,4.0,2.0,CC(C)C(O)=O,3.3205616801952367,2-Methylpropanoic acid
CC(C)C(O)C(C)(C)CO,3200.0,3.0,1.0,0.0,146.23,8.0,2.0,CC(C)C(O)C(C)(C)CO,3.505149978319906,"2,2,4-Trimethyl-1,3-pentanediol"
CC(C)C1(C)N=C(NC1=O)C1=NC2=CC=CC=C2C=C1C(O)=O,7500.0,4.0,3.0,0.0,311.341,17.0,3.0,CC(C)C1(C)N=C(NC1=O)C1=NC2=CC=CC=C2C=C1C(O)=O,3.8750612633917,Imazaquin ammonium salt
CC(C)C1(O)C(OC(=O)C2=CC=CN2)C2(O)C3(O)C45OC(O)(CC2(C)C4(O)CCC(C)C5O)C31C,750.0,3.0,1.0,0.0,493.5530000000002,25.0,9.0,CC(C)C1(O)C(OC(=O)C2=CC=CN2)C2(O)C3(O)C45OC(O)(CC2(C)C4(O)CCC(C)C5O)C31C,2.8750612633917,Ryanodine
CC(C)C1(O)CC=C(C)CC1,2800.0,3.0,2.0,0.0,154.25299999999996,10.0,1.0,CC(C)C1(O)CC=C(C)CC1,3.4471580313422194,4-Methyl-1-(propan-2-yl)cyclohex-3-en-1-ol
CC(C)C1=CC(=C(C(=C1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O,7500.0,4.0,1.0,0.0,309.36600000000004,15.0,4.0,CC(C)C1=CC(=C(C(=C1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O,3.8750612633917,Isopropalin
CC(C)C1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O,63.0,4.0,2.0,0.0,226.188,9.0,5.0,CC(C)C1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O,1.7993405494535817,"Isopropyl-4,6-dinitrophenol"
CC(C)C1=CC(=CC(C(C)C)=C1NC(=S)NC(C)(C)C)OC1C=CC=CC=1,2068.0,3.0,0.0,1.0,384.58900000000006,23.0,1.0,CC(C)C1=CC(=CC(C(C)C)=C1NC(=S)NC(C)(C)C)OC1C=CC=CC=1,3.315550534421905,Diafenthiuron
CC(C)C1=CC(=CC=C1)C(C)CC=O,3500.0,4.0,1.0,0.0,190.28599999999992,13.0,1.0,CC(C)C1=CC(=CC=C1)C(C)CC=O,3.5440680443502757,3-(3-Isopropylphenyl)butanal
CC(C)C1=CC(C(C)C)=C(N)C(C(C)C)=C1N,1251.0,4.0,0.0,0.0,234.38699999999992,15.0,0.0,CC(C)C1=CC(C(C)C)=C(N)C(C(C)C)=C1N,3.09725730969342,"2,4,6-Tri(propan-2-yl)benzene-1,3-diamine"
CC(C)C1=CC(C(C)C)=C(N=C=O)C(C(C)C)=C1N=C=O,2751.0,4.0,1.0,0.0,286.375,17.0,2.0,CC(C)C1=CC(C(C)C)=C(N=C=O)C(C(C)C)=C1N=C=O,3.4394905903896835,"2,4,6-Triisopropyl-m-phenylene diisocyanate"
CC(C)C1=CC23CCC4C(C)(CCCC4(C)C(=O)N(C)C)C2CC1C1C3C(=O)OC1=O,3500.0,4.0,0.0,0.0,427.5850000000002,26.0,4.0,CC(C)C1=CC23CCC4C(C)(CCCC4(C)C(=O)N(C)C)C2CC1C1C3C(=O)OC1=O,3.5440680443502757,
CC(C)C1=CC2=CC(=CC=C2C=C1)C(C)C,4272.0,4.0,1.0,1.0,212.33599999999996,16.0,0.0,CC(C)C1=CC2=CC(=CC=C2C=C1)C(C)C,3.6306312440205,Diisopropylnaphthalene
CC(C)C1=CC2C(=O)C3C=CC=CC=3SC=2C=C1,3500.0,4.0,2.0,0.0,254.354,16.0,1.0,CC(C)C1=CC2C(=O)C3C=CC=CC=3SC=2C=C1,3.5440680443502757,2-(Propan-2-yl)-9H-thioxanthen-9-one
CC(C)C1=CC2C=CC(=CC=2C=C1)C(C)C,4224.0,4.0,1.0,1.0,212.336,16.0,0.0,CC(C)C1=CC2C=CC(=CC=2C=C1)C(C)C,3.625723909525756,"2,6-Diisopropylnaphthalene"
CC(C)C1=CC2CCC3C(C)(CCCC3(C)C(O)=O)C=2C=C1S(O)(=O)=O,3500.0,4.0,0.0,0.0,380.50600000000014,20.0,5.0,CC(C)C1=CC2CCC3C(C)(CCCC3(C)C(O)=O)C=2C=C1S(O)(=O)=O,3.5440680443502757,Ecabet sodium
CC(C)C1=CC2OCC(=O)COC=2C=C1,1150.0,4.0,2.0,0.0,206.24099999999993,12.0,3.0,CC(C)C1=CC2OCC(=O)COC=2C=C1,3.060697840353612,"2H-1,5-Benzodioxepin-3(4H)-one, 7-(1-methylethyl)-"
CC(C)C1=CC=C(C=C1)C(CBr)OCCCCCCCCCCCC,250.0,3.0,0.0,1.0,411.4680000000001,23.0,1.0,CC(C)C1=CC=C(C=C1)C(CBr)OCCCCCCCCCCCC,2.3979400086720375,
CC(C)C1=CC=C(C=C1)C(C[N+]1C=CC=CC=1)OCCCCC,250.0,4.0,1.0,1.0,312.4770000000001,21.0,1.0,CC(C)C1=CC=C(C=C1)C(C[N+]1C=CC=CC=1)OCCCCC,2.3979400086720375,
CC(C)C1=CC=C(CC(C)C=O)C=C1,3810.0,4.0,2.0,0.0,190.286,13.0,1.0,CC(C)C1=CC=C(CC(C)C=O)C=C1,3.5809249756756194,2-Methyl-3-[4-(propan-2-yl)phenyl]propanal
CC(C)C1=CC=C(CCC=O)C=C1,3500.0,4.0,2.0,0.0,176.259,12.0,1.0,CC(C)C1=CC=C(CCC=O)C=C1,3.5440680443502757,"Benzenepropanal, 4-(1-methylethyl)-"
CC(C)C1=CC=CC(C(C)C)=C1N,3893.5,4.0,1.0,0.0,177.29099999999994,12.0,0.0,CC(C)C1=CC=CC(C(C)C)=C1N,3.5903401790321667,"2,6-Diisopropylaniline"
CC(C)C1=CC=CC(C(C)C)=C1N=C=O,1414.0,4.0,1.0,0.0,203.2849999999999,13.0,1.0,CC(C)C1=CC=CC(C(C)C)=C1N=C=O,3.150449409460881,"2,6-Diisopropylphenyl isocyanate"
CC(C)C1=CC=CC(C(C)C)=C1O,500.0,4.0,1.0,0.0,178.27499999999995,12.0,1.0,CC(C)C1=CC=CC(C(C)C)=C1O,2.6989700043360187,Propofol
CC(C)C1=NC(=NC(=C1C=CC(O)CC(O)CC(=O)OC)C1=CC=C(F)C=C1)N(C)S(C)(=O)=O,1150.0,3.0,1.0,0.0,495.57300000000026,23.0,6.0,CC(C)C1=NC(=NC(=C1C=CC(O)CC(O)CC(=O)OC)C1=CC=C(F)C=C1)N(C)S(C)(=O)=O,3.060697840353612,Rosuvastatin methyl ester
CC(C)C1=NC2C=CC=CC=2C1C(=N)C1=CN=CC=C1,350.0,4.0,2.0,0.0,263.344,17.0,0.0,CC(C)C1=NC2C=CC=CC=2C1C(=N)C1=CN=CC=C1,2.5440680443502757,
CC(C)C1=NN(C(=O)N1N)C(=O)NC(C)(C)C,1193.0,4.0,2.0,0.0,241.295,10.0,2.0,CC(C)C1=NN(C(=O)N1N)C(=O)NC(C)(C)C,3.076640443670342,Amicarbazone
CC(C)C1C2=CC=CC=C2C=CC=1C(C)C,10001.0,4.0,1.0,1.0,212.33599999999996,16.0,0.0,CC(C)C1C2=CC=CC=C2C=CC=1C(C)C,4.000043427276863,"1,2-Bis(isopropyl)naphthalene"
CC(C)C1C2C=CC(F)=CC=2CCC1(CCN(C)CCCC1NC2C=CC=CC=2N=1)OC(=O)COC,800.0,1.0,0.0,1.0,495.6390000000002,29.0,3.0,CC(C)C1C2C=CC(F)=CC=2CCC1(CCN(C)CCCC1NC2C=CC=CC=2N=1)OC(=O)COC,2.9030899869919438,Mibefradil dihydrochloride
CC(C)C1C=C(C=C(C=1)C(C)C)C(C)C,3956.0,4.0,0.0,1.0,204.35699999999997,15.0,0.0,CC(C)C1C=C(C=C(C=1)C(C)C)C(C)C,3.5972562829251418,"1,3,5-Triisopropylbenzene"
CC(C)C1C=C(C=CC=1)C(C)C,7450.0,4.0,1.0,0.0,162.27599999999995,12.0,0.0,CC(C)C1C=C(C=CC=1)C(C)C,3.8721562727482928,"1,3-Diisopropylbenzene"
CC(C)C1C=C(C=CC=1O)OC1C(I)=CC(CC(O)=O)=CC=1I,5.4,3.0,0.0,2.0,538.1190000000001,17.0,4.0,CC(C)C1C=C(C=CC=1O)OC1C(I)=CC(CC(O)=O)=CC=1I,0.7323937598229685,"Benzeneacetic acid, 3,5-diiodo-4-(4-hydroxy-3-(1-methylethyl)phenoxy)-"
CC(C)C1C=C(CC2=CC(C(C)C)=C(N)C(=C2)C(C)C)C=C(C(C)C)C=1N,1110.0,3.0,0.0,1.0,366.5930000000001,25.0,0.0,CC(C)C1C=C(CC2=CC(C(C)C)=C(N)C(=C2)C(C)C)C=C(C(C)C)C=1N,3.0453229787866576,"Benzenamine, 4,4'-methylenebis[2,6-bis(1-methylethyl)-"
CC(C)C1C=C2C(=CC=1)OC1N=C(N)C(=CC=1C2=O)C(O)=O,10000.0,4.0,3.0,0.0,298.298,16.0,4.0,CC(C)C1C=C2C(=CC=1)OC1N=C(N)C(=CC=1C2=O)C(O)=O,4.0,Amlenanox
CC(C)C1C=CC(=CC=1)C#N,3900.0,3.0,2.0,0.0,145.20499999999998,10.0,0.0,CC(C)C1C=CC(=CC=1)C#N,3.591064607026499,4-Isopropylbenzonitrile
CC(C)C1C=CC(=CC=1)C(C)(C)OO,3500.0,4.0,0.0,0.0,194.27399999999997,12.0,2.0,CC(C)C1C=CC(=CC=1)C(C)(C)OO,3.5440680443502757,Diisopropylbenzene hydroperoxide
CC(C)C1C=CC(=CC=1)C(C)C,3650.0,4.0,1.0,0.0,162.27599999999998,12.0,0.0,CC(C)C1C=CC(=CC=1)C(C)C,3.5622928644564746,"1,4-Diisopropylbenzene"
CC(C)C1C=CC(=CC=1)C1C=CC=CC=1,4675.0,4.0,1.0,0.0,196.293,15.0,0.0,CC(C)C1C=CC(=CC=1)C1C=CC=CC=1,3.6697816152085365,"1,1'-Biphenyl, (1-methylethyl)-"
CC(C)C1C=CC(=CC=1)N=C=O,7500.0,4.0,2.0,0.0,161.20399999999998,10.0,1.0,CC(C)C1C=CC(=CC=1)N=C=O,3.8750612633917,p-Isopropylphenyl isocyanate
CC(C)C1C=CC(=CC=1)NC(=O)N(C)C,2267.0,4.0,2.0,0.0,206.289,12.0,1.0,CC(C)C1C=CC(=CC=1)NC(=O)N(C)C,3.3554515201265174,Isoproturon
CC(C)C1C=CC(=CC=1)S(O)(=O)=O,6563.0,4.0,2.0,0.0,200.259,9.0,3.0,CC(C)C1C=CC(=CC=1)S(O)(=O)=O,3.8171024042569233,Sodium 4-isopropylbenzenesulfonate
CC(C)C1C=CC(C=O)=CC=1,1390.0,3.0,2.0,0.0,148.20499999999998,10.0,1.0,CC(C)C1C=CC(C=O)=CC=1,3.143014800254095,4-Isopropylbenzaldehyde
CC(C)C1C=CC(CC=C)=CC=1,4100.0,4.0,1.0,0.0,160.25999999999996,12.0,0.0,CC(C)C1C=CC(CC=C)=CC=1,3.6127838567197355,4-Isopropylphenylacetaldehyde
CC(C)C1C=CC(CO)=CC=1,1020.0,3.0,2.0,0.0,150.22099999999998,10.0,1.0,CC(C)C1C=CC(CO)=CC=1,3.0086001717619175,4-Isopropylbenzyl alcohol
CC(C)C1C=CC(N)=CC=1,985.0,3.0,2.0,0.0,135.20999999999998,9.0,0.0,CC(C)C1C=CC(N)=CC=1,2.9934362304976116,Cumidine
CC(C)C1C=CC2=C(CCC3C(C)(CCCC23C)C(O)=O)C=1,1710.0,4.0,2.0,0.0,300.44200000000006,20.0,2.0,CC(C)C1C=CC2=C(CCC3C(C)(CCCC23C)C(O)=O)C=1,3.2329961103921536,Dehydroabietic acid
CC(C)C1C=CC=C(C(C)C)C=1N=C=NC1C(=CC=CC=1C(C)C)C(C)C,594.0,3.0,0.0,1.0,362.561,25.0,0.0,CC(C)C1C=CC=C(C(C)C)C=1N=C=NC1C(=CC=CC=1C(C)C)C(C)C,2.7737864449811935,"Bis(2,6-diisopropylphenyl)carbodiimide"
CC(C)C1C=CC=CC=1,2375.0,3.0,2.0,0.0,120.19499999999996,9.0,0.0,CC(C)C1C=CC=CC=1,3.3756636139608855,Cumene
CC(C)C1C=CC=CC=1N,1180.0,3.0,2.0,0.0,135.20999999999995,9.0,0.0,CC(C)C1C=CC=CC=1N,3.0718820073061255,2-Isopropylaniline
CC(C)C1C=CC=CC=1OP(=O)(OC1C=CC=CC=1)OC1C=CC=CC=1,10000.0,3.0,0.0,1.0,368.369,21.0,4.0,CC(C)C1C=CC=CC=1OP(=O)(OC1C=CC=CC=1)OC1C=CC=CC=1,4.0,Diphenyl o-isopropylphenylphenyl phosphate
CC(C)C1CC2=C(C=CC3C(=O)C4C(COC5C=C(OC)C(=CC=54)OC)OC=32)O1,2500.0,4.0,1.0,0.0,396.4390000000002,23.0,6.0,CC(C)C1CC2=C(C=CC3C(=O)C4C(COC5C=C(OC)C(=CC=54)OC)OC=32)O1,3.3979400086720375,"1',2'-Dihydrorotenone"
CC(C)C1CC2CC(C=O)C1C=C2C,7500.0,4.0,2.0,0.0,192.302,13.0,1.0,CC(C)C1CC2CC(C=O)C1C=C2C,3.8750612633917,5(or 6)-Methyl-7(or 8)-(1-methylethyl)bicyclo[2.2.2]oct-5-ene-2-carbaldehyde
CC(C)C1CC2CCC(O)CC2CC1,4200.0,4.0,2.0,0.0,196.33399999999995,13.0,1.0,CC(C)C1CC2CCC(O)CC2CC1,3.6232492903979003,CERAPP_39317
CC(C)C1CC=C(C)C=C1,5700.0,3.0,2.0,0.0,136.238,10.0,0.0,CC(C)C1CC=C(C)C=C1,3.7558748556724915,alpha-Phellandrene
CC(C)C1CC=C(C)CC1,3500.0,3.0,2.0,0.0,138.254,10.0,0.0,CC(C)C1CC=C(C)CC1,3.5440680443502757,CERAPP_31847
CC(C)C1CC=C(CC=1)CCOC=O,3568.0,4.0,2.0,0.0,194.27399999999997,12.0,2.0,CC(C)C1CC=C(CC=1)CCOC=O,3.5524248457040857,"1,?-Cyclohexadiene-1-ethanol, 4-(1-methylethyl)-, formate"
CC(C)C1CCC(C)CC1,3500.0,3.0,2.0,0.0,140.26999999999998,10.0,0.0,CC(C)C1CCC(C)CC1,3.5440680443502757,p-Menthane
CC(C)C1CCC(C)CC1=O,1466.0,3.0,2.0,0.0,154.25299999999996,10.0,1.0,CC(C)C1CCC(C)CC1=O,3.166133970305109,dl-Menthone
CC(C)C1CCC(C)CC1O,3300.0,3.0,2.0,0.0,156.26899999999998,10.0,1.0,CC(C)C1CCC(C)CC1O,3.5185139398778875,"(1R,2S,5R)-(-)-Menthol"
CC(C)C1CCC(C)CC1OC,3750.0,4.0,2.0,0.0,170.296,11.0,1.0,CC(C)C1CCC(C)CC1OC,3.574031267727719,"Cyclohexane, 2-methoxy-4-methyl-1-(1-methylethyl)-, (1S,2R,4R)-"
CC(C)C1CCC(C)CC1OC(=O)CC1=CC=CC=C1,7500.0,4.0,2.0,0.0,274.404,18.0,2.0,CC(C)C1CCC(C)CC1OC(=O)CC1=CC=CC=C1,3.8750612633917,"Benzeneacetic acid, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester"
CC(C)C1CCC(C)CC1OC(=O)OCC(C)O,3500.0,4.0,2.0,0.0,258.35799999999995,14.0,4.0,CC(C)C1CCC(C)CC1OC(=O)OCC(C)O,3.5440680443502757,"Carbonic acid, 2-hydroxypropyl (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester"
CC(C)C1CCC(C)CC1OC(C)=O,6251.0,4.0,2.0,0.0,198.306,12.0,2.0,CC(C)C1CCC(C)CC1OC(C)=O,3.7959494989028033,L-Menthyl acetate
CC(C)C1CCC(C)CC1OCC(O)CO,5687.0,4.0,1.0,0.0,230.34799999999996,13.0,3.0,CC(C)C1CCC(C)CC1OCC(O)CO,3.7548832282521674,CERAPP_47262
CC(C)C1CCC(C)CC21OC(CO2)CO,5716.0,4.0,2.0,0.0,228.3319999999999,13.0,3.0,CC(C)C1CCC(C)CC21OC(CO2)CO,3.7570922201189325,CERAPP_42578
CC(C)C1CCC(CC1)OC(=O)CC,6600.0,4.0,2.0,0.0,198.30599999999995,12.0,2.0,CC(C)C1CCC(CC1)OC(=O)CC,3.8195439355418688,4-(Isopropyl)cyclohexyl propionate
CC(C)C1CCC(O)CC1,2750.0,3.0,2.0,0.0,142.24199999999996,9.0,1.0,CC(C)C1CCC(O)CC1,3.439332693830263,4-Isopropylcyclohexanol
CC(C)C1CCC2C(C=1)=CCC1C(C)(CCCC21C)C(=O)OC,7500.0,4.0,2.0,1.0,316.485,21.0,2.0,CC(C)C1CCC2C(C=1)=CCC1C(C)(CCCC21C)C(=O)OC,3.8750612633917,Methyl abietate
CC(C)C1CCC2C(C=1)=CCC1C2(C)CCCC1(C)CO,3500.0,4.0,2.0,1.0,288.47499999999997,20.0,1.0,CC(C)C1CCC2C(C=1)=CCC1C2(C)CCCC1(C)CO,3.5440680443502757,Abietyl alcohol
CC(C)C1CCCCC1,10000.0,3.0,2.0,0.0,126.243,9.0,0.0,CC(C)C1CCCCC1,4.0,"Cyclohexane, (1-methylethyl)-"
CC(C)C1N=C(C(C)C)C(C=CC(O)CC(O)CC(O)=O)=C(C=1COC)C1C=CC(F)=CC=1,416.0,4.0,0.0,0.0,459.5580000000002,26.0,5.0,CC(C)C1N=C(C(C)C)C(C=CC(O)CC(O)CC(O)=O)=C(C=1COC)C1C=CC(F)=CC=1,2.6190933306267428,Cerivastatin sodium
CC(C)C1NC(=O)C(OC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)OC(=O)C(NC1=O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C,4.0,1.0,1.0,3.0,1111.338,54.0,18.0,CC(C)C1NC(=O)C(OC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)OC(=O)C(NC1=O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C,0.6020599913279624,Valinomycin
CC(C)C1NC2=CC=CC=C2C=1C(=O)C1=CN=CC=C1,3500.0,4.0,2.0,0.0,264.328,17.0,1.0,CC(C)C1NC2=CC=CC=C2C=1C(=O)C1=CN=CC=C1,3.5440680443502757,Nictindole
CC(C)C1OCC=CCO1,1082.0,2.0,2.0,0.0,142.19799999999998,8.0,2.0,CC(C)C1OCC=CCO1,3.0342272607705505,"4,7-Dihydro-2-isopropyl-1,3-dioxepin"
CC(C)C1OCCN1CCO,1150.0,3.0,2.0,0.0,159.22899999999998,8.0,2.0,CC(C)C1OCCN1CCO,3.060697840353612,CERAPP_38599
CC(C)C1OCCN1CCOC(=O)NCCCCCCNC(=O)OCCN1CCOC1C(C)C,6251.0,2.0,1.0,0.0,486.65400000000034,24.0,6.0,CC(C)C1OCCN1CCOC(=O)NCCCCCCNC(=O)OCCN1CCOC1C(C)C,3.7959494989028033,"Bis{2-[2-(propan-2-yl)-1,3-oxazolidin-3-yl]ethyl} hexane-1,6-diylbiscarbamate"
CC(C)C=O,3270.0,1.0,2.0,0.0,72.107,4.0,1.0,CC(C)C=O,3.514547752660286,2-Methylpropanal
CC(C)CC(=O)C1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(CC=C(C)C)C1=O,100.0,3.0,0.0,1.0,414.58600000000024,26.0,4.0,CC(C)CC(=O)C1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(CC=C(C)C)C1=O,2.0,Lupulon
CC(C)CC(=O)CC(C)C,5530.0,3.0,1.0,0.0,142.242,9.0,1.0,CC(C)CC(=O)CC(C)C,3.7427251313046983,Diisobutyl ketone
CC(C)CC(=O)OC1C(C)OC(CC1(C)O)OC1C(C(O)C(OC1C)OC1C(OC)C(O)CC(=O)OC(C)CC=CC=CC(O)C(C)CC1CC=O)N(C)C,6992.0,1.0,1.0,3.0,785.9690000000003,40.0,14.0,CC(C)CC(=O)OC1C(C)OC(CC1(C)O)OC1C(C(O)C(OC1C)OC1C(OC)C(O)CC(=O)OC(C)CC=CC=CC(O)C(C)CC1CC=O)N(C)C,3.8446014196263465,Leucomycin tartrate
CC(C)CC(=O)OC1C(CCCCCC)C(=O)OC(C)C(NC(=O)C2=CC=CC(NC=O)=C2O)C(=O)OC1C,1469.0,1.0,1.0,1.0,548.6330000000003,28.0,9.0,CC(C)CC(=O)OC1C(CCCCCC)C(=O)OC(C)C(NC(=O)C2=CC=CC(NC=O)=C2O)C(=O)OC1C,3.1670217957902564,Antimycin A1
CC(C)CC(=O)OC1CCC(CC1)N1CCCCC1,1520.0,4.0,3.0,0.0,267.4129999999999,16.0,2.0,CC(C)CC(=O)OC1CCC(CC1)N1CCCCC1,3.1818435879447726,"Isovaleric acid, 4-piperidinocyclohexyl ester"
CC(C)CC(=O)OCC1C=CC=CC=1,6251.0,4.0,2.0,0.0,192.258,12.0,2.0,CC(C)CC(=O)OCC1C=CC=CC=1,3.7959494989028033,Benzyl 3-methylbutanoate
CC(C)CC(=O)OCC=C,230.0,3.0,2.0,0.0,142.19799999999998,8.0,2.0,CC(C)CC(=O)OCC=C,2.361727836017593,Allyl isovalerate
CC(C)CC(=O)OCC=CC1C=CC=CC=1,7500.0,4.0,2.0,0.0,218.296,14.0,2.0,CC(C)CC(=O)OCC=CC1C=CC=CC=1,3.8750612633917,"Butanoic acid, 3-methyl-, 3-phenyl-2-propenyl ester"
CC(C)CC(=O)OCCC(C)C,7500.0,4.0,1.0,0.0,172.26799999999997,10.0,2.0,CC(C)CC(=O)OCCC(C)C,3.8750612633917,3-Methylbutyl 3-methylbutanoate
CC(C)CC(=O)OCCC1C=CC=CC=1,6220.0,4.0,2.0,0.0,206.285,13.0,2.0,CC(C)CC(=O)OCCC1C=CC=CC=1,3.7937903846908188,"Butanoic acid, 3-methyl-, 2-phenylethyl ester"
CC(C)CC(C)(C)C,4751.0,2.0,2.0,0.0,114.232,8.0,0.0,CC(C)CC(C)(C)C,3.6767850304192056,"2,2,4-Trimethylpentane"
CC(C)CC(C)(O)C#C,350.0,2.0,2.0,0.0,126.19899999999996,8.0,1.0,CC(C)CC(C)(O)C#C,2.5440680443502757,"3,5-Dimethyl-1-hexyn-3-ol"
CC(C)CC(C)=CCCC(C)(O)C=C,7500.0,4.0,0.0,0.0,196.33399999999995,13.0,1.0,CC(C)CC(C)=CCCC(C)(O)C=C,3.8750612633917,"1,6-Decadien-3-ol, 3,7,9-trimethyl-"
CC(C)CC(C)=O,3340.0,1.0,2.0,0.0,100.161,6.0,1.0,CC(C)CC(C)=O,3.5237464668115646,4-Methyl-2-pentanone
CC(C)CC(C)CC(O)=O,900.0,3.0,2.0,0.0,144.214,8.0,2.0,CC(C)CC(C)CC(O)=O,2.9542425094393248,Isooctanoic acid
CC(C)CC(C)NC1C=CC(=CC=1)NC1C=CC=CC=1,2876.0,4.0,1.0,1.0,268.404,18.0,0.0,CC(C)CC(C)NC1C=CC(=CC=1)NC1C=CC=CC=1,3.458788881710845,"N-(1,3-Dimethylbutyl)-N'-phenyl-p-phenylenediamine"
CC(C)CC(C)O,2592.0,2.0,2.0,0.0,102.17699999999998,6.0,1.0,CC(C)CC(C)O,3.413634997198556,4-Methyl-2-pentanol
CC(C)CC(C)OC(=O)C=CC(=O)OC(C)CC(C)C,7340.0,4.0,2.0,0.0,284.396,16.0,4.0,CC(C)CC(C)OC(=O)C=CC(=O)OC(C)CC(C)C,3.8656960599160706,"2-Butenedioic acid (2Z)-, bis(1,3-dimethylbutyl) ester"
CC(C)CC(C)OC(C)=O,6160.0,3.0,2.0,0.0,144.21399999999997,8.0,2.0,CC(C)CC(C)OC(C)=O,3.7895807121644256,"1,3-Dimethylbutyl acetate"
CC(C)CC(CCC(CCCC)CC)OS(O)(=O)=O,1250.0,4.0,1.0,0.0,294.45700000000005,14.0,4.0,CC(C)CC(CCC(CCCC)CC)OS(O)(=O)=O,3.0969100130080562,7-Ethyl-2-methylundecan-4-yl hydrogen sulfate
CC(C)CC(N)C(O)=O,9001.0,2.0,2.0,0.0,131.175,6.0,2.0,CC(C)CC(N)C(O)=O,3.954290761701127,Leucine
CC(C)CC(NC(=O)C(CC1C=CC2=CC=CC=C2C=1)NC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CO)NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C(CC1=CN=CN1)NC(=O)C1CCC(=O)N1)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(N)=O,50.0,0.0,1.0,3.0,1322.4960000000003,66.0,13.0,CC(C)CC(NC(=O)C(CC1C=CC2=CC=CC=C2C=1)NC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CO)NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C(CC1=CN=CN1)NC(=O)C1CCC(=O)N1)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(N)=O,1.6989700043360187,Nafarelin acetate
CC(C)CC(NC(=O)C(COC(C)(C)C)NC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CO)NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C(CC1=CN=CN1)NC(=O)C1CCC(=O)N1)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC,400.0,0.0,1.0,3.0,1239.4470000000006,60.0,13.0,CC(C)CC(NC(=O)C(COC(C)(C)C)NC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CO)NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C(CC1=CN=CN1)NC(=O)C1CCC(=O)N1)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC,2.6020599913279625,Buserelin acetate
CC(C)CC(NC(=O)C1CCCN1C(=O)C1CSSCC(N)C(=O)NC(CC2=CC=C(O)C=C2)C(=O)NC(C(C)CC)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)N1)C(=O)NCC(N)=O,20.52,0.0,1.0,3.0,1007.2069999999997,43.0,12.0,CC(C)CC(NC(=O)C1CCCN1C(=O)C1CSSCC(N)C(=O)NC(CC2=CC=C(O)C=C2)C(=O)NC(C(C)CC)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)N1)C(=O)NCC(N)=O,1.3121773564397787,Oxytocin acetate
CC(C)CC(NC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CO)NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C(CC1=CN=CN1)NC(=O)C1CCC(=O)N1)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(N)=O,3000.0,0.0,1.0,3.0,1182.3109999999997,55.0,13.0,CC(C)CC(NC(=O)CNC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CO)NC(=O)C(CC1=CNC2=CC=CC=C12)NC(=O)C(CC1=CN=CN1)NC(=O)C1CCC(=O)N1)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(N)=O,3.4771212547196626,Luprolite acetate
CC(C)CC(NC)C(=O)NC1C(O)C2=CC=C(OC3C=C4C=C(OC5C=CC(=CC=5Cl)C(O)C5NC(=O)C(NC(=O)C4NC(=O)C(CC(N)=O)NC1=O)C1=CC=C(O)C(=C1)C1=C(C=C(O)C=C1O)C(NC5=O)C(O)=O)C=3OC1OC(CO)C(O)C(O)C1OC1CC(C)(N)C(O)C(C)O1)C(Cl)=C2,10000.0,1.0,1.0,3.0,1449.2710000000004,66.0,24.0,CC(C)CC(NC)C(=O)NC1C(O)C2=CC=C(OC3C=C4C=C(OC5C=CC(=CC=5Cl)C(O)C5NC(=O)C(NC(=O)C4NC(=O)C(CC(N)=O)NC1=O)C1=CC=C(O)C(=C1)C1=C(C=C(O)C=C1O)C(NC5=O)C(O)=O)C=3OC1OC(CO)C(O)C(O)C1OC1CC(C)(N)C(O)C(C)O1)C(Cl)=C2,4.0,Vancomycin hydrochloride
CC(C)CC(O)=O,2625.0,1.0,2.0,0.0,102.13299999999998,5.0,2.0,CC(C)CC(O)=O,3.4191293077419758,Ammonium isovalerate
CC(C)CC(O)CC(C)C,3560.0,3.0,1.0,0.0,144.25799999999995,9.0,1.0,CC(C)CC(O)CC(C)C,3.5514499979728753,"2,6-Dimethyl-4-heptanol"
CC(C)CC(O)CC(CC(C)C)CC(C)C,10001.0,4.0,0.0,0.0,228.41999999999996,15.0,1.0,CC(C)CC(O)CC(CC(C)C)CC(C)C,4.000043427276863,
CC(C)CC1(C)OCC(CO)O1,2751.0,4.0,2.0,0.0,174.23999999999998,9.0,3.0,CC(C)CC1(C)OCC(CO)O1,3.4394905903896835,"1,3-Dioxolane-4-methanol, 2-methyl-2-(2-methylpropyl)-"
CC(C)CC1=C(C(=O)OC)C(=NC(=C1C1=NCCS1)C(F)(F)F)C(F)F,7500.0,4.0,0.0,0.0,396.38100000000014,16.0,2.0,CC(C)CC1=C(C(=O)OC)C(=NC(=C1C1=NCCS1)C(F)(F)F)C(F)F,3.8750612633917,Thiazopyr
CC(C)CC1=CC=C(C=C1)C(C)C(=O)OC1=CC=CC=C1OC,2062.0,4.0,1.0,0.0,312.409,20.0,3.0,CC(C)CC1=CC=C(C=C1)C(C)C(=O)OC1=CC=CC=C1OC,3.3142886609474975,
CC(C)CC1=CC=C(C=C1)C(C)C(O)=O,1118.0,4.0,2.0,0.0,206.28499999999997,13.0,2.0,CC(C)CC1=CC=C(C=C1)C(C)C(O)=O,3.0484418035504044,Ibuprofen sodium
CC(C)CC1C(=C(N=C(C=1C(=O)SC)C(F)(F)F)C(F)F)C(=O)SC,7500.0,4.0,0.0,1.0,401.42200000000014,15.0,2.0,CC(C)CC1C(=C(N=C(C=1C(=O)SC)C(F)(F)F)C(F)F)C(=O)SC,3.8750612633917,Dithiopyr
CC(C)CC1C=CC(=CC=1)C(C)C(=O)OCC1C=CC=CN=1,1440.0,4.0,1.0,0.0,297.39799999999997,19.0,2.0,CC(C)CC1C=CC(=CC=1)C(C)C(=O)OCC1C=CC=CN=1,3.1583624920952498,Ibuprofen piconol
CC(C)CC1C=CC(=CC=1)C(C)C(=O)OCCN1CCN(CC1)C1=CC=CC=C1Cl,3350.0,4.0,0.0,1.0,429.004,25.0,2.0,CC(C)CC1C=CC(=CC=1)C(C)C(=O)OCCN1CCN(CC1)C1=CC=CC=C1Cl,3.525044807036845,
CC(C)CC1C=CC(CC(O)=O)=CC=1,2300.0,4.0,2.0,0.0,192.258,12.0,2.0,CC(C)CC1C=CC(CC(O)=O)=CC=1,3.361727836017593,Ibufenac
CC(C)CC1C=CC2=CC=CC=C2N=1,1020.0,4.0,2.0,0.0,185.27,13.0,0.0,CC(C)CC1C=CC2=CC=CC=C2N=1,3.0086001717619175,2-(2-Methylpropyl)quinoline
CC(C)CC1C=CC=CC=1,3500.0,3.0,2.0,0.0,134.22199999999998,10.0,0.0,CC(C)CC1C=CC=CC=1,3.5440680443502757,Isobutylbenzene
CC(C)CC1CC(C)(O)CCO1,3500.0,4.0,2.0,0.0,172.26799999999994,10.0,2.0,CC(C)CC1CC(C)(O)CCO1,3.5440680443502757,4-Methyl-2-(2-methylpropyl)tetrahydro-2H-pyran-4-ol
CC(C)CC1CC(C)CCO1,7500.0,3.0,2.0,0.0,156.26899999999998,10.0,1.0,CC(C)CC1CC(C)CCO1,3.8750612633917,CERAPP_34690
CC(C)CC=C,2751.0,1.0,2.0,0.0,84.16199999999999,6.0,0.0,CC(C)CC=C,3.4394905903896835,4-Methyl-1-pentene
CC(C)CC=O,6062.0,1.0,2.0,0.0,86.13399999999999,5.0,1.0,CC(C)CC=O,3.7826159320316033,3-Methylbutanal
CC(C)CCC(C)(CC)C(=O)OCC1CO1,3500.0,4.0,1.0,0.0,228.3319999999999,13.0,3.0,CC(C)CCC(C)(CC)C(=O)OCC1CO1,3.5440680443502757,"2,3-Epoxypropyl neodecanoate"
CC(C)CCC(C)=O,3820.0,2.0,2.0,0.0,114.188,7.0,1.0,CC(C)CCC(C)=O,3.582063362911709,5-Methyl-2-hexanone
CC(C)CCC(C)NC1C=CC(=CC=1)NC(C)CCC(C)C,740.0,3.0,1.0,1.0,304.52200000000005,20.0,0.0,CC(C)CCC(C)NC1C=CC(=CC=1)NC(C)CCC(C)C,2.8692317197309762,"N,N'-Bis(1,4-dimethylpentyl)-4-phenylenediamine"
CC(C)CCC(C)NC1C=CC(=CC=1)NC1C=CC=CC=1,2117.0,3.0,1.0,1.0,282.43100000000004,19.0,0.0,CC(C)CCC(C)NC1C=CC(=CC=1)NC1C=CC=CC=1,3.325720858019412,"1,4-Benzenediamine, N-(1,4-dimethylpentyl)-N'-phenyl-"
CC(C)CCC(COC)(COC)C(C)C,3500.0,4.0,1.0,0.0,216.36499999999995,13.0,2.0,CC(C)CCC(COC)(COC)C(C)C,3.5440680443502757,"3,3-Bis(methoxymethyl)-2,6-dimethylheptane"
CC(C)CCC(O)=O,2050.0,2.0,2.0,0.0,116.15999999999998,6.0,2.0,CC(C)CCC(O)=O,3.311753861055754,"Pentanoic acid, 4-methyl-"
CC(C)CCC1CCC(O)CC1,2751.0,4.0,2.0,0.0,170.29599999999996,11.0,1.0,CC(C)CCC1CCC(O)CC1,3.4394905903896835,"Cyclohexanol, 4-(3-methylbutyl)-"
CC(C)CCC1CCCC1(O)CC,3500.0,4.0,1.0,0.0,184.323,12.0,1.0,CC(C)CCC1CCCC1(O)CC,3.5440680443502757,"Cyclopentanol, 1-ethyl-2-(3-methylbutyl)-"
CC(C)CCCC(C)(C)O,6800.0,3.0,1.0,0.0,144.258,9.0,1.0,CC(C)CCCC(C)(C)O,3.832508912706236,"2,6-Dimethyl-2-heptanol"
CC(C)CCCC(C)C1CCC2C(CCCC21C)=CC=C1CC(O)CC(O)C1=C,0.34,2.0,0.0,1.0,400.64700000000016,27.0,2.0,CC(C)CCCC(C)C1CCC2C(CCCC21C)=CC=C1CC(O)CC(O)C1=C,-0.46852108295774486,Alfacalcidol
CC(C)CCCC(C)C1CCC2C(CCCC21C)=CC=C1CC(O)CCC1=C,42.0,2.0,0.0,1.0,384.6480000000002,27.0,1.0,CC(C)CCCC(C)C1CCC2C(CCCC21C)=CC=C1CC(O)CCC1=C,1.6232492903979006,Vitamin D3
CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,2751.0,2.0,0.0,1.0,386.6640000000002,27.0,1.0,CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C,3.4394905903896835,Cholesterol
CC(C)CCCC(C)CC=O,7500.0,3.0,1.0,0.0,156.269,10.0,1.0,CC(C)CCCC(C)CC=O,3.8750612633917,"3,7-Dimethyloctanal"
CC(C)CCCC(C)CCCC(C)=O,3500.0,4.0,0.0,0.0,198.34999999999997,13.0,1.0,CC(C)CCCC(C)CCCC(C)=O,3.5440680443502757,CERAPP_29566
CC(C)CCCC(C)CCCC(C)CC,6251.0,3.0,0.0,1.0,212.42099999999996,15.0,0.0,CC(C)CCCC(C)CCCC(C)CC,3.7959494989028033,"2,6,10-Trimethyldodecane"
CC(C)CCCC(C)CCCC(C)CCCC(C)(O)C=C,8850.0,3.0,1.0,1.0,296.53899999999993,20.0,1.0,CC(C)CCCC(C)CCCC(C)CCCC(C)(O)C=C,3.9469432706978256,Isophytol
CC(C)CCCC(C)CCCC(C)CCCC(C)=CCC1C(=O)C2C=CC=CC=2C(=O)C=1C,10001.0,1.0,0.0,1.0,450.7070000000004,31.0,2.0,CC(C)CCCC(C)CCCC(C)CCCC(C)=CCC1C(=O)C2C=CC=CC=2C(=O)C=1C,4.000043427276863,Phytonadione
CC(C)CCCC(C)CCCC(C)CCCC(C)=CCO,7500.0,3.0,1.0,1.0,296.539,20.0,1.0,CC(C)CCCC(C)CCCC(C)CCCC(C)=CCO,3.8750612633917,Phytol
CC(C)CCCC(C)CCCC(C)CCCC(C)=O,3500.0,3.0,1.0,1.0,268.48499999999996,18.0,1.0,CC(C)CCCC(C)CCCC(C)CCCC(C)=O,3.5440680443502757,CERAPP_27590
CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C,7000.0,1.0,0.0,1.0,430.7170000000003,29.0,2.0,CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C,3.845098040014257,Vitamin E
CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=C(O1)C(C)=C(C)C(OC(=O)C1=CN=CC=C1)=C2C,10001.0,0.0,0.0,2.0,535.8130000000006,35.0,3.0,CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=C(O1)C(C)=C(C)C(OC(=O)C1=CN=CC=C1)=C2C,4.000043427276863,DL-alpha Tocopheryl nicotinate
CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=C(O1)C(C)=C(C)C(OC(=O)CCC(O)=O)=C2C,7000.0,0.0,0.0,2.0,530.7900000000005,33.0,5.0,CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=C(O1)C(C)=C(C)C(OC(=O)CCC(O)=O)=C2C,3.845098040014257,d-alpha-Tocopheryl succinate
CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C,1000.0,1.0,0.0,1.0,422.8260000000003,30.0,0.0,CC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)C,3.0,Squalane
CC(C)CCCC(C)CCO,6251.0,3.0,1.0,0.0,158.285,10.0,1.0,CC(C)CCCC(C)CCO,3.7959494989028033,"3,7-Dimethyloctan-1-ol"
CC(C)CCCC(C)CCOC(=O)CCC,7500.0,4.0,0.0,0.0,228.37599999999995,14.0,2.0,CC(C)CCCC(C)CCOC(=O)CCC,3.8750612633917,"Butanoic acid, 3,7-dimethyloctyl ester"
CC(C)CCCC(C)CCOC(C)=O,7500.0,4.0,1.0,0.0,200.32199999999995,12.0,2.0,CC(C)CCCC(C)CCOC(C)=O,3.8750612633917,"3,7-Dimethyl-1-octyl acetate"
CC(C)CCCC(C)CC[N+]1(CC=C)CCCCC1,360.0,4.0,1.0,1.0,266.49299999999994,18.0,0.0,CC(C)CCCC(C)CC[N+]1(CC=C)CCCCC1,2.5563025007672873,Piproctanyl bromide
CC(C)CCCC(C)N,538.0,3.0,1.0,0.0,129.247,8.0,0.0,CC(C)CCCC(C)N,2.7307822756663893,2-Amino-6-methylheptane
CC(C)CCCC=C,10000.0,2.0,2.0,0.0,112.21599999999998,8.0,0.0,CC(C)CCCC=C,4.0,Isooctene
CC(C)CCCCC1OC1CCCCCCCCCC,10001.0,3.0,1.0,1.0,282.512,19.0,1.0,CC(C)CCCCC1OC1CCCCCCCCCC,4.000043427276863,"cis-7,8-Epoxy-2-methyloctadecane"
CC(C)CCCCCC(=O)NCCCCCC(O)=O,2751.0,4.0,2.0,0.0,271.40099999999995,15.0,3.0,CC(C)CCCCCC(=O)NCCCCCC(O)=O,3.4394905903896835,6-(Isononanoylamino)hexanoic acid
CC(C)CCCCCC1C=CC(O)=CC=1,2150.0,4.0,0.0,0.0,206.32900000000004,14.0,1.0,CC(C)CCCCCC1C=CC(O)=CC=1,3.3324384599156054,"Phenol, p-isooctyl-"
CC(C)CCCCCCCCCCCCCCC(=O)OC(C)C,2751.0,3.0,1.0,1.0,326.565,21.0,2.0,CC(C)CCCCCCCCCCCCCCC(=O)OC(C)C,3.4394905903896835,Isopropyl isostearate
CC(C)CCCCCCCCCCCCCCC(O)=O,3500.0,3.0,1.0,1.0,284.4839999999999,18.0,2.0,CC(C)CCCCCCCCCCCCCCC(O)=O,3.5440680443502757,Sodium isooctadecanoate
CC(C)CCCCCCCCCCCCCCCO,3500.0,3.0,1.0,1.0,270.50099999999986,18.0,1.0,CC(C)CCCCCCCCCCCCCCCO,3.5440680443502757,Isooctadecan-1-ol
CC(C)CCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC(C)C,2751.0,0.0,0.0,2.0,536.9700000000005,36.0,2.0,CC(C)CCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC(C)C,3.4394905903896835,Isostearyl isostearate
CC(C)CCCCCCCCCCOC(=O)C1C=CC=CC=1C(=O)OCCCCCCCCCCC(C)C,10001.0,0.0,0.0,2.0,530.8340000000004,34.0,4.0,CC(C)CCCCCCCCCCOC(=O)C1C=CC=CC=1C(=O)OCCCCCCCCCCC(C)C,4.000043427276863,Diisotridecyl phthalate
CC(C)CCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCC(C)C,10001.0,0.0,0.0,2.0,510.84400000000056,32.0,4.0,CC(C)CCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCC(C)C,4.000043427276863,Diisotridecyl adipate
CC(C)CCCCCCCCCCOCCCN,750.0,4.0,1.0,0.0,257.46199999999993,16.0,1.0,CC(C)CCCCCCCCCCOCCCN,2.8750612633917,"1-Propanamine, 3-(C11-14-isoalkyloxy) derivs., C13-rich"
CC(C)CCCCCCCCCCOP(OC1C=CC=CC=1)OCCCCCCCCCCC(C)C,10001.0,0.0,0.0,2.0,522.7950000000005,32.0,3.0,CC(C)CCCCCCCCCCOP(OC1C=CC=CC=1)OCCCCCCCCCCC(C)C,4.000043427276863,Diisotridecyl phenyl phosphite
CC(C)CCCCCCCCCCOP(OCCCCCCCCCCC(C)C)OCCCCCCCCCCC(C)C,10001.0,0.0,0.0,2.0,629.0480000000001,39.0,3.0,CC(C)CCCCCCCCCCOP(OCCCCCCCCCCC(C)C)OCCCCCCCCCCC(C)C,4.000043427276863,Triisotridecyl phosphite
CC(C)CCCCCCCCOCCCNCCC#N,3500.0,4.0,1.0,0.0,282.472,17.0,1.0,CC(C)CCCCCCCCOCCCNCCC#N,3.5440680443502757,
CC(C)CCCCCCCO,8100.0,3.0,1.0,0.0,158.285,10.0,1.0,CC(C)CCCCCCCO,3.90848501887865,
CC(C)CCCCCCCOC(=O)CC(C(O)=O)S(O)(=O)=O,1150.0,4.0,2.0,0.0,338.422,14.0,7.0,CC(C)CCCCCCCOC(=O)CC(C(O)=O)S(O)(=O)=O,3.060697840353612,Disodium isodecyl sulfosuccinate
CC(C)CCCCCCCOC(=O)CC(C)CC(C)(C)C,4387.0,3.0,1.0,1.0,298.511,19.0,2.0,CC(C)CCCCCCCOC(=O)CC(C)CC(C)(C)C,3.642167634404945,CERAPP_42027
CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C,10001.0,2.0,0.0,1.0,426.6820000000003,26.0,4.0,CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C,4.000043427276863,
CC(C)CCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCCC(C)C,3500.0,1.0,0.0,1.0,468.7630000000004,29.0,4.0,CC(C)CCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCCC(C)C,3.5440680443502757,"Nonanedioic acid, diisodecyl ester"
CC(C)CCCCCCCOCCC#N,3500.0,4.0,0.0,0.0,211.34899999999996,13.0,1.0,CC(C)CCCCCCCOCCC#N,3.5440680443502757,"Propanenitrile, 3-(isodecyloxy)-"
CC(C)CCCCCCCOCCCNCCCN,175.0,4.0,2.0,0.0,272.477,16.0,1.0,CC(C)CCCCCCCOCCCNCCCN,2.2430380486862944,"1,3-Propanediamine, N-[3-(isodecyloxy)propyl]-"
CC(C)CCCCCCCOP(=O)(OC1C=CC=CC=1)OC1C=CC=CC=1,10001.0,3.0,0.0,1.0,390.46,22.0,4.0,CC(C)CCCCCCCOP(=O)(OC1C=CC=CC=1)OC1C=CC=CC=1,4.000043427276863,
CC(C)CCCCCCCOP(OC1C=CC=CC=1)OC1C=CC=CC=1,4025.0,3.0,0.0,1.0,374.46100000000007,22.0,3.0,CC(C)CCCCCCCOP(OC1C=CC=CC=1)OC1C=CC=CC=1,3.6047658847038875,"Phosphorous acid, isodecyl diphenyl ester"
CC(C)CCCCCCCOP(OCCCCCCCC(C)C)OCCCCCCCC(C)C,10001.0,0.0,0.0,2.0,502.8050000000005,30.0,3.0,CC(C)CCCCCCCOP(OCCCCCCCC(C)C)OCCCCCCCC(C)C,4.000043427276863,"Phosphorous acid, triisodecyl ester"
CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC(C)C,10001.0,3.0,0.0,1.0,390.5640000000003,24.0,4.0,CC(C)CCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCC(C)C,4.000043427276863,Diisooctyl phthalate
CC(C)CCCCCOC(C)=O,7500.0,4.0,1.0,0.0,172.268,10.0,2.0,CC(C)CCCCCOC(C)=O,3.8750612633917,"Acetic acid, isooctyl ester"
CC(C)CCCCCOP(OCCCCCC(C)C)OCCCCCC(C)C,9200.0,2.0,0.0,1.0,418.64300000000026,24.0,3.0,CC(C)CCCCCOP(OCCCCCC(C)C)OCCCCCC(C)C,3.963787827345555,Triisooctyl phosphite
CC(C)CCI,1424.0,2.0,2.0,0.0,198.047,5.0,0.0,CC(C)CCI,3.1535099893008374,"Butane, 1-iodo-3-methyl-"
CC(C)CCN,383.0,1.0,2.0,0.0,87.16600000000001,5.0,0.0,CC(C)CCN,2.583198773968623,"1-Butanamine, 3-methyl-"
CC(C)CCO,2607.0,1.0,2.0,0.0,88.14999999999999,5.0,1.0,CC(C)CCO,3.416141031168329,Isopentyl alcohol
CC(C)CCOC(=O)C1=CC=CC=C1C(=O)OCCC(C)C,2751.0,4.0,1.0,0.0,306.40200000000004,18.0,4.0,CC(C)CCOC(=O)C1=CC=CC=C1C(=O)OCCC(C)C,3.4394905903896835,Isoamyl phthalate
CC(C)CCOC(=O)C1C=CC=CC=1,6330.0,4.0,2.0,0.0,192.258,12.0,2.0,CC(C)CCOC(=O)C1C=CC=CC=1,3.801403710017355,Isopentyl benzoate
CC(C)CCOC(=O)C1C=CC=CC=1O,2826.0,4.0,2.0,0.0,208.257,12.0,3.0,CC(C)CCOC(=O)C1C=CC=CC=1O,3.45117215751254,Isoamyl salicylate
CC(C)CCOC(=O)C=CC1C=CC=CC=1,7500.0,4.0,2.0,0.0,218.296,14.0,2.0,CC(C)CCOC(=O)C=CC1C=CC=CC=1,3.8750612633917,3-Methylbutyl cinnamate
CC(C)CCOC(C)=O,10001.0,2.0,2.0,0.0,130.18699999999998,7.0,2.0,CC(C)CCOC(C)=O,4.000043427276863,3-Methylbutyl acetate
CC(C)CCOC(S)=S,765.0,4.0,2.0,0.0,164.29500000000002,6.0,1.0,CC(C)CCOC(S)=S,2.8836614351536176,"Carbonodithioic acid, O-(3-methylbutyl) ester, sodium salt (1:1)"
CC(C)CCOC=O,9840.0,2.0,2.0,0.0,116.15999999999998,6.0,2.0,CC(C)CCOC=O,3.9929950984313414,CERAPP_26732
CC(C)CCOCCC(C)C,2751.0,3.0,1.0,0.0,158.285,10.0,1.0,CC(C)CCOCCC(C)C,3.4394905903896835,Isoamyl ether
CC(C)CCOCCC1C=CC=CC=1,7500.0,4.0,1.0,0.0,192.302,13.0,1.0,CC(C)CCOCCC1C=CC=CC=1,3.8750612633917,3-Methylbutyl 2-phenylethyl ether
CC(C)CCON=O,505.0,1.0,2.0,0.0,117.148,5.0,2.0,CC(C)CCON=O,2.7032913781186614,3-Methylbutyl nitrite
CC(C)CN,226.0,1.0,2.0,0.0,73.139,4.0,0.0,CC(C)CN,2.3541084391474008,Isobutylamine
CC(C)CN(CC(C)C)C(=S)SSC(=S)N(CC(C)C)CC(C)C,3500.0,3.0,0.0,1.0,408.7680000000002,18.0,0.0,CC(C)CN(CC(C)C)C(=S)SSC(=S)N(CC(C)C)CC(C)C,3.5440680443502757,"Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), tetrakis(2-methylpropyl)-"
CC(C)CN(CC(C)C)C=O,732.0,3.0,1.0,0.0,157.25699999999998,9.0,1.0,CC(C)CN(CC(C)C)C=O,2.864511081058392,"N,N-Bis(2-methylpropyl)formamide"
CC(C)CN(CC(O)C(N)CC1=CC=CC=C1)S(=O)(=O)C1=CC=C(N)C=C1,3500.0,4.0,1.0,0.0,391.5370000000001,20.0,3.0,CC(C)CN(CC(O)C(N)CC1=CC=CC=C1)S(=O)(=O)C1=CC=C(N)C=C1,3.5440680443502757,"4-Amino-N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)benzene-1-sulfonamide"
CC(C)CNC(=O)N1CCNC1=O,3500.0,4.0,2.0,0.0,185.227,8.0,2.0,CC(C)CNC(=O)N1CCNC1=O,3.5440680443502757,Isocarbamid [ISO]
CC(C)CNC(=S)NCC(C)C,800.0,4.0,1.0,0.0,188.33999999999995,9.0,0.0,CC(C)CNC(=S)NCC(C)C,2.9030899869919438,"Urea, 1,3-diisobutyl-2-thio-"
CC(C)CNCC(C)C,258.0,3.0,1.0,0.0,129.24699999999996,8.0,0.0,CC(C)CNCC(C)C,2.41161970596323,Diisobutylamine
CC(C)CO,3215.0,1.0,2.0,0.0,74.12299999999999,4.0,1.0,CC(C)CO,3.5071809772602407,"1-Propanol, 2-methyl-, sodium salt (1:1)"
CC(C)COC(=O)C(C)OC1C=CC(=CC=1)OC1C=CC(Cl)=CC=1,723.0,4.0,1.0,1.0,348.826,19.0,4.0,CC(C)COC(=O)C(C)OC1C=CC(=CC=1)OC1C=CC(Cl)=CC=1,2.859138297294531,Clofop-isobutyl
CC(C)COC(=O)C(CC(=O)OCC(C)C)S(O)(=O)=O,4043.0,4.0,2.0,0.0,310.368,12.0,7.0,CC(C)COC(=O)C(CC(=O)OCC(C)C)S(O)(=O)=O,3.6067037413336744,"1,4-Bis(2-methylpropoxy)-1,4-dioxobutane-2-sulfonic acid"
CC(C)COC(=O)C1=CC=CC=C1O,1435.0,4.0,2.0,0.0,194.23,11.0,3.0,CC(C)COC(=O)C1=CC=CC=C1O,3.156851901070011,Isobutyl salicylate
CC(C)COC(=O)C1C(C(C(=O)OC)C(C)=NC=1C)C1C=CC=CC=1[N+]([O-])=O,1257.0,4.0,1.0,0.0,388.4200000000001,20.0,6.0,CC(C)COC(=O)C1C(C(C(=O)OC)C(C)=NC=1C)C1C=CC=CC=1[N+]([O-])=O,3.0993352776859577,Nisoldipine
CC(C)COC(=O)C1C=CC(O)=CC=1,3500.0,4.0,2.0,0.0,194.23,11.0,3.0,CC(C)COC(=O)C1C=CC(O)=CC=1,3.5440680443502757,Potassium isobutyl 4-oxidobenzoate
CC(C)COC(=O)C1C=CC=CC=1,5600.0,4.0,2.0,0.0,178.231,11.0,2.0,CC(C)COC(=O)C1C=CC=CC=1,3.7481880270062002,Isobutyl benzoate
CC(C)COC(=O)C1C=CC=CC=1C(=O)OCC(C)C,10001.0,4.0,2.0,0.0,278.348,16.0,4.0,CC(C)COC(=O)C1C=CC=CC=1C(=O)OCC(C)C,4.000043427276863,Diisobutyl phthalate
CC(C)COC(=O)C1CCCCC1C(=O)OCC(C)C,2751.0,4.0,2.0,0.0,284.39599999999996,16.0,4.0,CC(C)COC(=O)C1CCCCC1C(=O)OCC(C)C,3.4394905903896835,"1,2-Cyclohexanedicarboxylic acid, 1,2-bis(2-methylpropyl) ester"
CC(C)COC(=O)C=C,5982.0,2.0,2.0,0.0,128.17099999999996,7.0,2.0,CC(C)COC(=O)C=C,3.7768464086952993,Isobutyl acrylate
CC(C)COC(=O)CC#N,4520.0,2.0,2.0,0.0,141.17,7.0,2.0,CC(C)COC(=O)CC#N,3.655138434811382,"Acetic acid, cyano-, 2-methylpropyl ester"
CC(C)COC(=O)CC(C)C,7500.0,3.0,1.0,0.0,158.241,9.0,2.0,CC(C)COC(=O)CC(C)C,3.8750612633917,"Butanoic acid, 3-methyl-, 2-methylpropyl ester"
CC(C)COC(=O)CC1C=CC=CC=1,6251.0,4.0,2.0,0.0,192.258,12.0,2.0,CC(C)COC(=O)CC1C=CC=CC=1,3.7959494989028033,Isobutyl phenylacetate
CC(C)COC(=O)CCC1=CC=CO1,1950.0,4.0,2.0,0.0,196.246,11.0,3.0,CC(C)COC(=O)CCC1=CC=CO1,3.290034611362518,Isobutyl furan-2-propionate
CC(C)COC(=O)COC1C=CC(Cl)=CC=1Cl,300.0,4.0,2.0,0.0,277.147,12.0,3.0,CC(C)COC(=O)COC1C=CC(Cl)=CC=1Cl,2.4771212547196626,"2,4-D-isobutyl"
CC(C)COC(=O)OCN1C(=O)CN(CC1=O)CCN1CC(=O)N(COC(=O)OCC(C)C)C(=O)C1,7500.0,3.0,1.0,3.0,514.5320000000004,22.0,10.0,CC(C)COC(=O)OCN1C(=O)CN(CC1=O)CCN1CC(=O)N(COC(=O)OCC(C)C)C(=O)C1,3.8750612633917,Sobuzoxane
CC(C)COC(C)(C)C,10000.0,3.0,2.0,0.0,130.23099999999997,8.0,1.0,CC(C)COC(C)(C)C,4.0,Isopropyl tert-butyl ether
CC(C)COC(C)=O,10001.0,2.0,2.0,0.0,116.16,6.0,2.0,CC(C)COC(C)=O,4.000043427276863,Isobutyl acetate
CC(C)COC(C)OCCN(CC)C1=CC=C(C=C1)N=NC1=CC=CC=C1,1150.0,3.0,0.0,1.0,369.509,22.0,2.0,CC(C)COC(C)OCCN(CC)C1=CC=C(C=C1)N=NC1=CC=CC=C1,3.060697840353612,"Benzenamine, N-ethyl-N-[2-[1-(2-methylpropoxy)ethoxy]ethyl]-4-(2-phenyldiazenyl)-"
CC(C)COC(S)=S,1045.0,2.0,2.0,0.0,150.268,5.0,1.0,CC(C)COC(S)=S,3.019116290447073,"Carbonodithioic acid, O-(2-methylpropyl) ester, sodium salt (1:1)"
CC(C)COC1=CC2=CC=CC=C2C=C1,5930.0,4.0,1.0,0.0,200.281,14.0,1.0,CC(C)COC1=CC2=CC=CC=C2C=C1,3.7730546933642626,Isobutyl 2-naphthyl ether
CC(C)COC=C,10001.0,1.0,2.0,0.0,100.161,6.0,1.0,CC(C)COC=C,4.000043427276863,Vinyl isobutyl ether
CC(C)COCC(C)O,4290.0,2.0,1.0,0.0,132.203,7.0,2.0,CC(C)COCC(C)O,3.6324572921847245,1-Isobutoxypropan-2-ol
CC(C)COCC(CN(CC1=CC=CC=C1)C1=CC=CC=C1)N1CCCC1,6850.0,4.0,0.0,0.0,366.5490000000002,24.0,1.0,CC(C)COCC(CN(CC1=CC=CC=C1)C1=CC=CC=C1)N1CCCC1,3.8356905714924254,Bepridil hydrochloride
CC(C)COCCO,400.0,2.0,2.0,0.0,118.176,6.0,2.0,CC(C)COCCO,2.6020599913279625,Ethylene glycol monoisobutyl ether
CC(C)COCNC(=O)C=C,940.0,3.0,2.0,0.0,157.213,8.0,2.0,CC(C)COCNC(=O)C=C,2.9731278535996988,N-(Isobutoxymethyl)acrylamide
CC(C)CON=O,410.0,1.0,2.0,0.0,103.121,4.0,2.0,CC(C)CON=O,2.6127838567197355,Isobutyl nitrite
CC(C)COP(=O)(OCC(C)C)OCC(C)C,4901.0,4.0,1.0,0.0,266.318,12.0,4.0,CC(C)COP(=O)(OCC(C)C)OCC(C)C,3.6902847025126295,Triisobutyl phosphate
CC(C)COP(=S)(CCl)OP(=O)(OCC)OCC,55.0,4.0,1.0,0.0,338.73000000000013,9.0,5.0,CC(C)COP(=S)(CCl)OP(=O)(OCC)OCC,1.7403626894942439,
CC(C)COP(C)(=O)SCCN(C)C,0.94,4.0,1.0,0.0,239.32099999999997,9.0,2.0,CC(C)COP(C)(=O)SCCN(C)C,-0.026872146400301365,
CC(C)COP(O)(=S)OCC(C)C,6251.0,4.0,1.0,0.0,226.27799999999996,8.0,3.0,CC(C)COP(O)(=S)OCC(C)C,3.7959494989028033,"Phosphorothioic acid, O,O-bis(2-methylpropyl) ester, sodium salt"
CC(C)COP(S)(=S)OCC(C)C,3000.0,4.0,1.0,0.0,242.346,8.0,2.0,CC(C)COP(S)(=S)OCC(C)C,3.4771212547196626,CERAPP_23623
CC(C)CP(S)(=S)CC(C)C,3500.0,4.0,0.0,0.0,210.348,8.0,0.0,CC(C)CP(S)(=S)CC(C)C,3.5440680443502757,Bis(2-methylpropyl)phosphinodithioic acid
CC(C)CS,7168.0,1.0,2.0,0.0,90.191,4.0,0.0,CC(C)CS,3.8553979966540686,"1-Propanethiol, 2-methyl-"
CC(C)C[Si](Cl)(Cl)Cl,200.0,3.0,2.0,0.0,191.561,4.0,0.0,CC(C)C[Si](Cl)(Cl)Cl,2.3010299956639813,"Silane, trichloro(2-methylpropyl)-"
CC(C)C[Si](OC)(OC)OC,2751.0,4.0,1.0,0.0,178.30399999999997,7.0,3.0,CC(C)C[Si](OC)(OC)OC,3.4394905903896835,"Silane, trimethoxy(2-methylpropyl)-"
CC(C)C[Si](OCC)(OCC)OCC,4501.0,4.0,1.0,0.0,220.38499999999993,10.0,3.0,CC(C)C[Si](OCC)(OCC)OCC,3.653309012938479,Triethoxy(2-methylpropyl)silane
CC(C)Cl,4250.0,1.0,2.0,0.0,78.542,3.0,0.0,CC(C)Cl,3.6283889300503116,2-Chloropropane
CC(C)N,274.0,1.0,2.0,0.0,59.111999999999995,3.0,0.0,CC(C)N,2.437750562820388,"2-Propanamine, hydrochloride (1:1)"
CC(C)N(C(=O)CCl)C1C=CC=CC=1,950.0,4.0,2.0,0.0,211.69200000000004,11.0,1.0,CC(C)N(C(=O)CCl)C1C=CC=CC=1,2.9777236052888476,Propachlor
CC(C)N(C(=O)CO)C1C=CC(F)=CC=1,569.0,4.0,2.0,0.0,211.236,11.0,2.0,CC(C)N(C(=O)CO)C1C=CC(F)=CC=1,2.7551122663950713,"Acetamide, N-(4-fluorophenyl)-2-hydroxy-N-(1-methylethyl)-"
CC(C)N(C(=O)COC1=NN=C(S1)C(F)(F)F)C1=CC=C(F)C=C1,1264.0,4.0,1.0,0.0,363.336,14.0,2.0,CC(C)N(C(=O)COC1=NN=C(S1)C(F)(F)F)C1=CC=C(F)C=C1,3.1017470739463664,Flufenacet
CC(C)N(C(=O)CSP(=S)(OC)OC)C1C=CC(Cl)=CC=1,472.0,4.0,0.0,0.0,367.86,13.0,3.0,CC(C)N(C(=O)CSP(=S)(OC)OC)C1C=CC(Cl)=CC=1,2.673941998634088,Anilofos
CC(C)N(C(C)C)C(=O)SCC(Cl)=C(Cl)Cl,1170.0,4.0,1.0,0.0,304.6700000000001,10.0,1.0,CC(C)N(C(C)C)C(=O)SCC(Cl)=C(Cl)Cl,3.0681858617461617,Tri-allate
CC(C)N(C(C)C)C(=O)SCC(Cl)=CCl,395.0,4.0,1.0,0.0,270.225,10.0,1.0,CC(C)N(C(C)C)C(=O)SCC(Cl)=CCl,2.59659709562646,Diallate
CC(C)N(C(C)C)P(OCCC#N)N(C(C)C)C(C)C,500.0,4.0,1.0,0.0,301.415,15.0,1.0,CC(C)N(C(C)C)P(OCCC#N)N(C(C)C)C(C)C,2.6989700043360187,"Phosphorodiamidous acid, tetrakis(1-methylethyl)-, 2-cyanoethyl ester"
CC(C)N(C)C,684.0,1.0,2.0,0.0,87.166,5.0,0.0,CC(C)N(C)C,2.835056101720116,Dimethylisopropylamine
CC(C)N(CC1C=CC=CC=1)C(=O)C(C)(C)C,6000.0,4.0,2.0,0.0,233.35499999999996,15.0,1.0,CC(C)N(CC1C=CC=CC=1)C(=O)C(C)(C)C,3.7781512503836434,Butam
CC(C)N(CCC(C#N)(C1=CC=CC=N1)C1C=CC=CC=1)C(C)C,596.0,4.0,1.0,0.0,321.4680000000001,21.0,0.0,CC(C)N(CCC(C#N)(C1=CC=CC=N1)C1C=CC=CC=1)C(C)C,2.7752462597402365,
CC(C)N(CCC(C(N)=O)(C1=CC=CC=N1)C1C=CC=CC=1)C(C)C,333.0,4.0,2.0,0.0,339.4830000000001,21.0,1.0,CC(C)N(CCC(C(N)=O)(C1=CC=CC=N1)C1C=CC=CC=1)C(C)C,2.5224442335063197,Disopyramide
CC(C)N(CCCl)C(C)C,96.75,4.0,1.0,0.0,163.692,8.0,0.0,CC(C)N(CCCl)C(C)C,1.9856509736909491,"Diisopropylamine, N-(2-chloroethyl)-"
CC(C)N(CCO)C(C)C,860.0,3.0,1.0,0.0,145.24599999999998,8.0,1.0,CC(C)N(CCO)C(C)C,2.934498451243568,2-(Diisopropylamino)ethanol
CC(C)N(OC)C(=O)CSP(=S)(OC)OC,260.0,4.0,2.0,0.0,287.343,8.0,4.0,CC(C)N(OC)C(=O)CSP(=S)(OC)OC,2.4149733479708178,ENT 27360
CC(C)N(SC1=NC2C=CC=CC=2S1)C(C)C,5200.0,4.0,1.0,0.0,266.43500000000006,13.0,0.0,CC(C)N(SC1=NC2C=CC=CC=2S1)C(C)C,3.716003343634799,"2-Benzothiazolesulfenamide, N,N-bis(1-methylethyl)-"
CC(C)N1C(=O)C2C=CC=CC=2NS1(=O)=O,1350.0,4.0,2.0,0.0,240.284,10.0,3.0,CC(C)N1C(=O)C2C=CC=CC=2NS1(=O)=O,3.130333768495006,Bentazone
CC(C)N1C(=O)N(CSC1=NC(C)(C)C)C1C=CC=CC=1,2849.0,4.0,2.0,0.0,305.4470000000001,16.0,1.0,CC(C)N1C(=O)N(CSC1=NC(C)(C)C)C1C=CC=CC=1,3.454692449239477,Buprofezin
CC(C)N1C=CC(C=C1)=C1C(=O)C2=CC=CC=C2C1=O,1450.0,4.0,3.0,0.0,265.31199999999995,17.0,2.0,CC(C)N1C=CC(C=C1)=C1C(=O)C2=CC=CC=C2C1=O,3.161368002234975,"1,3-Indandione, 2-(1-(1-methylethyl)-4(1H)-pyridinylidene)-"
CC(C)N1CCC(CC1)N(C(=O)CC1C=CC=CC=1)C1C=CC(Cl)=CC=1,395.0,4.0,1.0,0.0,370.9240000000001,22.0,1.0,CC(C)N1CCC(CC1)N(C(=O)CC1C=CC=CC=1)C1C=CC(Cl)=CC=1,2.59659709562646,Lorcainide
CC(C)N1CCCC1=O,2900.0,2.0,2.0,0.0,127.187,7.0,1.0,CC(C)N1CCCC1=O,3.462397997898956,"2-Pyrrolidinone, 1-(1-methylethyl)-"
CC(C)N1N=C(N=C1Cl)OP(=S)(OCC)OCC,38.5,4.0,2.0,0.0,313.747,9.0,3.0,CC(C)N1N=C(N=C1Cl)OP(=S)(OCC)OCC,1.5854607295085006,Isazofos
CC(C)N=C1C=C2C(CC1=NC1C=CC(Cl)=CC=1)=NC1C=CC=CC=1N2C1C=CC(Cl)=CC=1,8400.0,2.0,1.0,1.0,473.40700000000015,27.0,0.0,CC(C)N=C1C=C2C(CC1=NC1C=CC(Cl)=CC=1)=NC1C=CC=CC=1N2C1C=CC(Cl)=CC=1,3.9242792860618816,Clofazimine
CC(C)N=NC(=O)CSC1=CC(=NC=N1)OC1C=CC(Cl)=CC=1,450.0,4.0,0.0,0.0,350.831,15.0,2.0,CC(C)N=NC(=O)CSC1=CC(=NC=N1)OC1C=CC(Cl)=CC=1,2.6532125137753435,"Acetic acid, ((6-(4-chlorophenoxy)-4-pyrimidinyl)thio)-, (1-methylethylidene)hydrazide"
CC(C)N=NC(N)=S,48.5,1.0,2.0,0.0,131.204,4.0,0.0,CC(C)N=NC(N)=S,1.6857417386022637,Acetone thiosemicarbazide
CC(C)N=O,3313.0,1.0,2.0,0.0,73.095,3.0,1.0,CC(C)N=O,3.52022143588196,Acetoxime
CC(C)NC(=N)NC(=N)NC1C=CC(Cl)=CC=1,58.0,4.0,3.0,0.0,253.737,11.0,0.0,CC(C)NC(=N)NC(=N)NC1C=CC(Cl)=CC=1,1.7634279935629373,Proguanil hydrochloride
CC(C)NC(=O)C=C,375.0,1.0,2.0,0.0,113.15999999999998,6.0,1.0,CC(C)NC(=O)C=C,2.574031267727719,N-Isopropylacrylamide
CC(C)NC(=O)CSP(=S)(OCC)OCC,8.0,4.0,2.0,0.0,285.37100000000004,9.0,3.0,CC(C)NC(=O)CSP(=S)(OCC)OCC,0.9030899869919435,Prothoate
CC(C)NC(=O)N1CC(=O)N(C2C=C(Cl)C=C(Cl)C=2)C1=O,3500.0,4.0,3.0,0.0,330.17100000000005,13.0,3.0,CC(C)NC(=O)N1CC(=O)N(C2C=C(Cl)C=C(Cl)C=2)C1=O,3.5440680443502757,Iprodione
CC(C)NC(=O)OC1CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1,310.0,4.0,1.0,0.0,350.434,19.0,3.0,CC(C)NC(=O)OC1CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1,2.4913616938342726,Carperone
CC(C)NC(=S)NC(C)C,450.0,4.0,2.0,0.0,160.286,7.0,0.0,CC(C)NC(=S)NC(C)C,2.6532125137753435,"Thiourea, N,N'-bis(1-methylethyl)-"
CC(C)NC(C)C,438.0,2.0,2.0,0.0,101.19299999999998,6.0,0.0,CC(C)NC(C)C,2.6414741105040997,Diisopropylamine
CC(C)NC1=NC(Cl)=NC(NC(C)C)=N1,5898.0,4.0,1.0,0.0,229.71500000000003,9.0,0.0,CC(C)NC1=NC(Cl)=NC(NC(C)C)=N1,3.7707047682157793,Propazine
CC(C)NC1C=CC(=CC=1)NC1C=CC=CC=1,755.0,4.0,1.0,0.0,226.323,15.0,0.0,CC(C)NC1C=CC(=CC=1)NC1C=CC=CC=1,2.8779469516291885,N-Isopropyl-N'-phenyl-p-phenylenediamine
CC(C)NC1C=CC=CC=1,560.0,3.0,2.0,0.0,135.20999999999998,9.0,0.0,CC(C)NC1C=CC=CC=1,2.7481880270062002,N-Isopropylaniline
CC(C)NC1N=C(N=C(Cl)N=1)N(CC)CC,1700.0,4.0,1.0,0.0,243.742,10.0,0.0,CC(C)NC1N=C(N=C(Cl)N=1)N(CC)CC,3.230448921378274,Ipazine
CC(C)NC1N=C(NC2CC2)N=C(Cl)N=1,858.0,4.0,2.0,0.0,227.699,9.0,0.0,CC(C)NC1N=C(NC2CC2)N=C(Cl)N=1,2.9334872878487053,Cyprazine
CC(C)NCC(O)C1=CC=C(O)C(O)=C1,355.0,4.0,1.0,0.0,211.261,11.0,3.0,CC(C)NCC(O)C1=CC=C(O)C(O)=C1,2.550228353055094,Isoproterenol
CC(C)NCC(O)C1C=C(O)C=C(O)C=1,3370.0,4.0,1.0,0.0,211.261,11.0,3.0,CC(C)NCC(O)C1C=C(O)C=C(O)C=1,3.5276299008713385,Metaproterenol
CC(C)NCC(O)C1C=CC(=CC=1)NS(C)(=O)=O,3450.0,4.0,2.0,0.0,272.37,12.0,3.0,CC(C)NCC(O)C1C=CC(=CC=1)NS(C)(=O)=O,3.537819095073274,Sotalol hydrochloride
CC(C)NCC(O)C1C=CC2=CC=CC=C2C=1,900.0,4.0,2.0,0.0,229.323,15.0,1.0,CC(C)NCC(O)C1C=CC2=CC=CC=C2C=1,2.9542425094393248,Pronethalol
CC(C)NCC(O)C1C=CC=CC=1Cl,445.0,4.0,2.0,0.0,213.708,11.0,1.0,CC(C)NCC(O)C1C=CC=CC=1Cl,2.6483600109809315,Clorprenaline
CC(C)NCC(O)COC(C)C1C=CC=CC=1,540.0,4.0,1.0,0.0,237.343,14.0,2.0,CC(C)NCC(O)COC(C)C1C=CC=CC=1,2.7323937598229686,
CC(C)NCC(O)COC1=CC=C(CCOC)C=C1,3675.0,4.0,2.0,0.0,267.36899999999997,15.0,3.0,CC(C)NCC(O)COC1=CC=C(CCOC)C=C1,3.5652573434202135,Metoprolol
CC(C)NCC(O)COC1=CC=CC2C=CC=CC1=2,607.0,4.0,2.0,0.0,259.34900000000005,16.0,2.0,CC(C)NCC(O)COC1=CC=CC2C=CC=CC1=2,2.7831886910752575,Propranolol hydrochloride
CC(C)NCC(O)COC1=CC=CC=C1CC=C,590.0,4.0,1.0,0.0,249.35399999999996,15.0,2.0,CC(C)NCC(O)COC1=CC=CC=C1CC=C,2.7708520116421442,
CC(C)NCC(O)COC1=CC=CC=C1OCC=C,214.0,4.0,2.0,0.0,265.35299999999995,15.0,3.0,CC(C)NCC(O)COC1=CC=CC=C1OCC=C,2.330413773349191,Oxprenolol hydrochloride
CC(C)NCC(O)COC1C=CC=C2NC=CC=12,263.0,4.0,1.0,0.0,248.326,14.0,2.0,CC(C)NCC(O)COC1C=CC=C2NC=CC=12,2.419955748489758,Pindolol
CC(C)NCC1CCC2=CC(CO)=C(C=C2N1)[N+]([O-])=O,30.0,4.0,2.0,0.0,279.34,14.0,3.0,CC(C)NCC1CCC2=CC(CO)=C(C=C2N1)[N+]([O-])=O,1.4771212547196624,Oxamniquine
CC(C)NNC(=O)C1C=CN=CC=1,365.0,4.0,2.0,0.0,179.223,9.0,1.0,CC(C)NNC(=O)C1C=CN=CC=1,2.5622928644564746,Iproniazid sulfate
CC(C)NNC(=O)COC1C=CC(Cl)=CC=1,550.0,4.0,2.0,0.0,242.706,11.0,2.0,CC(C)NNC(=O)COC1C=CC(Cl)=CC=1,2.7403626894942437,Iproclozide [INN:BAN:DCF]
CC(C)NO,2189.0,1.0,2.0,0.0,75.11099999999999,3.0,1.0,CC(C)NO,3.3402457615679317,"2-Propanamine, N-hydroxy-, acetate (1:1)"
CC(C)O,5560.0,1.0,2.0,0.0,60.096,3.0,1.0,CC(C)O,3.7450747915820575,"2-Propanol, sodium salt (1:1)"
CC(C)OC(=O)C(=C1SC=CS1)C(=O)OC(C)C,2065.0,4.0,2.0,0.0,288.39,12.0,4.0,CC(C)OC(=O)C(=C1SC=CS1)C(=O)OC(C)C,3.31492005599242,Malotilate
CC(C)OC(=O)C(=C1SCCS1)C(=O)OC(C)C,1190.0,4.0,2.0,0.0,290.406,12.0,4.0,CC(C)OC(=O)C(=C1SCCS1)C(=O)OC(C)C,3.0755469613925306,Isoprothiolane
CC(C)OC(=O)C(C)(C)Br,2751.0,4.0,2.0,0.0,209.08299999999997,7.0,2.0,CC(C)OC(=O)C(C)(C)Br,3.4394905903896835,Isopropyl 2-bromo-2-methylpropionate
CC(C)OC(=O)C(C)(C)OC1C=CC(=CC=1)C(=O)C1C=CC(Cl)=CC=1,3500.0,4.0,0.0,0.0,360.837,20.0,4.0,CC(C)OC(=O)C(C)(C)OC1C=CC(=CC=1)C(=O)C1C=CC(Cl)=CC=1,3.5440680443502757,Fenofibrate
CC(C)OC(=O)C(C)CC,3500.0,3.0,2.0,0.0,144.21399999999997,8.0,2.0,CC(C)OC(=O)C(C)CC,3.5440680443502757,Isopropyl 2-methylbutyrate
CC(C)OC(=O)C(C)N(C1=CC(Cl)=C(F)C=C1)C(=O)C1C=CC=CC=1,3000.0,4.0,0.0,0.0,363.816,19.0,3.0,CC(C)OC(=O)C(C)N(C1=CC(Cl)=C(F)C=C1)C(=O)C1C=CC=CC=1,3.4771212547196626,Flamprop-isopropyl
CC(C)OC(=O)C(CCCC)CC,3500.0,4.0,1.0,0.0,186.295,11.0,2.0,CC(C)OC(=O)C(CCCC)CC,3.5440680443502757,Propan-2-yl 2-ethylhexanoate
CC(C)OC(=O)C(CCSC)/N=C(O)/CCSC(=O)C1C=CC=CC=1,4000.0,4.0,0.0,0.0,383.53500000000014,18.0,4.0,CC(C)OC(=O)C(CCSC)/N=C(O)/CCSC(=O)C1C=CC=CC=1,3.6020599913279625,
CC(C)OC(=O)C(F)(F)F,3500.0,1.0,2.0,0.0,156.10299999999998,5.0,2.0,CC(C)OC(=O)C(F)(F)F,3.5440680443502757,Isopropyl trifluoroacetate
CC(C)OC(=O)C(O)(C1C=CC(Br)=CC=1)C1C=CC(Br)=CC=1,7500.0,4.0,1.0,0.0,428.12000000000006,17.0,3.0,CC(C)OC(=O)C(O)(C1C=CC(Br)=CC=1)C1C=CC(Br)=CC=1,3.8750612633917,Bromopropylate
CC(C)OC(=O)C(O)(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1,7500.0,4.0,2.0,0.0,339.2180000000001,17.0,3.0,CC(C)OC(=O)C(O)(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1,3.8750612633917,Chloropropylate
CC(C)OC(=O)C1C(C(C(=O)OC)C(C)=NC=1C)C1=CC=CC2=NON=C21,3000.0,4.0,1.0,0.0,371.3930000000001,19.0,5.0,CC(C)OC(=O)C1C(C(C(=O)OC)C(C)=NC=1C)C1=CC=CC2=NON=C21,3.4771212547196626,
CC(C)OC(=O)C1C(C(C(=O)OCCOC)C(C)=NC=1C)C1C=C(C=CC=1)[N+]([O-])=O,2738.0,4.0,1.0,0.0,418.44600000000014,21.0,7.0,CC(C)OC(=O)C1C(C(C(=O)OCCOC)C(C)=NC=1C)C1C=C(C=CC=1)[N+]([O-])=O,3.437433443797971,Nimodipine
CC(C)OC(=O)C1C=C(C=C(C=1)C(=O)OC(C)C)[N+]([O-])=O,6400.0,4.0,2.0,0.0,295.291,14.0,6.0,CC(C)OC(=O)C1C=C(C=C(C=1)C(=O)OC(C)C)[N+]([O-])=O,3.806179973983887,Nitrothal-isopropyl
CC(C)OC(=O)C1C=CC(O)=CC=1,10001.0,4.0,2.0,0.0,180.203,10.0,3.0,CC(C)OC(=O)C1C=CC(O)=CC=1,4.000043427276863,Isopropylparaben
CC(C)OC(=O)C1C=CC=CC=1,3701.0,4.0,2.0,0.0,164.204,10.0,2.0,CC(C)OC(=O)C1C=CC=CC=1,3.5683190850951116,Propan-2-yl benzoate
CC(C)OC(=O)C1C=NC=C(C=1)C(=O)OC(C)C,5230.0,4.0,2.0,0.0,251.282,13.0,4.0,CC(C)OC(=O)C1C=NC=C(C=1)C(=O)OC(C)C,3.718501688867274,"3,5-Pyridinedicarboxylic acid, diisopropyl ester"
CC(C)OC(=O)C=CC(=O)OC(C)C,2140.0,4.0,1.0,0.0,200.234,10.0,4.0,CC(C)OC(=O)C=CC(=O)OC(C)C,3.330413773349191,"2-Butenedioic acid (2Z)-, bis(1-methylethyl) ester"
CC(C)OC(=O)C=CC1C=CC=CC=1,7500.0,4.0,2.0,0.0,190.242,12.0,2.0,CC(C)OC(=O)C=CC1C=CC=CC=1,3.8750612633917,"2-Propenoic acid, 3-phenyl-, 1-methylethyl ester"
CC(C)OC(=O)CCC(=O)OC(C)C,2751.0,4.0,1.0,0.0,202.25,10.0,4.0,CC(C)OC(=O)CCC(=O)OC(C)C,3.4394905903896835,Dipropan-2-yl butanedioate
CC(C)OC(=O)CCCC=CCC1C(O)CC(O)C1CCC(O)CCC1=CC=CC=C1,0.05,3.0,0.0,0.0,432.6010000000002,26.0,5.0,CC(C)OC(=O)CCCC=CCC1C(O)CC(O)C1CCC(O)CCC1=CC=CC=C1,-1.3010299956639813,Latanoprost
CC(C)OC(=O)CCCCC(=O)OC(C)C,10001.0,4.0,1.0,0.0,230.30399999999997,12.0,4.0,CC(C)OC(=O)CCCCC(=O)OC(C)C,4.000043427276863,Diisopropyl adipate
CC(C)OC(=O)CCCCCCCCC(=O)OC(C)C,4764.0,4.0,1.0,0.0,286.412,16.0,4.0,CC(C)OC(=O)CCCCCCCCC(=O)OC(C)C,3.67797175281074,"Decanedioic acid, bis(1-methylethyl) ester"
CC(C)OC(=O)COC1C=C(Cl)C(Cl)=CC=1Cl,495.0,4.0,2.0,0.0,297.56500000000005,11.0,3.0,CC(C)OC(=O)COC1C=C(Cl)C(Cl)=CC=1Cl,2.694605198933569,"2,4,5-T-isopropyl"
CC(C)OC(=O)COC1C=CC(Cl)=CC=1Cl,497.0,4.0,3.0,0.0,263.12,11.0,3.0,CC(C)OC(=O)COC1C=CC(Cl)=CC=1Cl,2.696356388733332,"2,4-D isopropyl ester"
CC(C)OC(=O)Cl,674.0,1.0,2.0,0.0,122.551,4.0,2.0,CC(C)OC(=O)Cl,2.82865989653532,Isopropyl chloroformate
CC(C)OC(=O)NC1C=C(Cl)C=CC=1,2325.0,4.0,2.0,0.0,213.664,10.0,2.0,CC(C)OC(=O)NC1C=C(Cl)C=CC=1,3.3664229572259727,Chlorpropham
CC(C)OC(=O)NC1C=C(OCC)C(=CC=1)OCC,7500.0,4.0,2.0,0.0,267.325,14.0,4.0,CC(C)OC(=O)NC1C=C(OCC)C(=CC=1)OCC,3.8750612633917,Diethofencarb
CC(C)OC(=O)NC1C=CC=CC=1,3043.0,4.0,2.0,0.0,179.21900000000002,10.0,2.0,CC(C)OC(=O)NC1C=CC=CC=1,3.483301952358167,Propham
CC(C)OC(=O)OC(C)OC(=O)C1=C(CSC2C(NC(=O)C(=NOC)C3=CSC(N)=N3)C(=O)N12)COC,4000.0,2.0,1.0,3.0,557.6070000000001,21.0,9.0,CC(C)OC(=O)OC(C)OC(=O)C1=C(CSC2C(NC(=O)C(=NOC)C3=CSC(N)=N3)C(=O)N12)COC,3.6020599913279625,Cefpodoxime proxetil
CC(C)OC(=O)OC1C(=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O)C(C)CC,59.0,4.0,1.0,0.0,326.30500000000006,14.0,7.0,CC(C)OC(=O)OC1C(=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O)C(C)CC,1.7708520116421442,Dinobuton
CC(C)OC(=O)OOC(=O)OC(C)C,2140.0,4.0,2.0,0.0,206.194,8.0,6.0,CC(C)OC(=O)OOC(=O)OC(C)C,3.330413773349191,"Peroxydicarbonic acid, bis(1-methylethyl) ester"
CC(C)OC(C)=O,4875.0,1.0,2.0,0.0,102.133,5.0,2.0,CC(C)OC(C)=O,3.687974620034556,Isopropyl acetate
CC(C)OC(C)C,8470.0,2.0,2.0,0.0,102.177,6.0,1.0,CC(C)OC(C)C,3.9278834103307068,Isopropyl ether
CC(C)OC(Cl)=C(Cl)C(Cl)=C(Cl)Cl,1210.0,4.0,2.0,0.0,284.39700000000005,7.0,1.0,CC(C)OC(Cl)=C(Cl)C(Cl)=C(Cl)Cl,3.0827853703164503,"1,1,2,3,4-Pentachloro-4-(isopropoxy)buta-1,3-diene"
CC(C)OC(S)=S,1475.0,1.0,2.0,0.0,136.241,4.0,1.0,CC(C)OC(S)=S,3.1687920203141817,Isopropylxanthic acid
CC(C)OC1=CC(=C(Cl)C=C1Cl)N1N=C(OC1=O)C(C)(C)C,3875.0,4.0,2.0,0.0,345.226,15.0,3.0,CC(C)OC1=CC(=C(Cl)C=C1Cl)N1N=C(OC1=O)C(C)(C)C,3.588271706842329,Oxadiazon
CC(C)OC1=CC(=CC=C1)NC(=O)C1C=CC=CC=1C(F)(F)F,10000.0,4.0,2.0,0.0,323.31399999999996,17.0,2.0,CC(C)OC1=CC(=CC=C1)NC(=O)C1C=CC=CC=1C(F)(F)F,4.0,Flutolanil
CC(C)OC1=CC2OC=C(C(=O)C=2C=C1)C1C=CC=CC=1,2500.0,4.0,2.0,0.0,280.32300000000004,18.0,3.0,CC(C)OC1=CC2OC=C(C(=O)C=2C=C1)C1C=CC=CC=1,3.3979400086720375,Ipriflavone
CC(C)OC1=CC=CC=C1N,840.0,3.0,2.0,0.0,151.20899999999995,9.0,1.0,CC(C)OC1=CC=CC=C1N,2.9242792860618816,2-Isopropoxyaniline
CC(C)OC1C=C(N)C(Cl)=CC=1Cl,3500.0,4.0,2.0,0.0,220.099,9.0,1.0,CC(C)OC1C=C(N)C(Cl)=CC=1Cl,3.5440680443502757,"2,4-Dichloro-5-isopropoxyaniline"
CC(C)OC1C=C(NNC(=O)C(C)(C)C)C(Cl)=CC=1Cl,70.0,4.0,2.0,0.0,319.23199999999997,14.0,2.0,CC(C)OC1C=C(NNC(=O)C(C)(C)C)C(Cl)=CC=1Cl,1.845098040014257,"2'-(2,4-Dichloro-5-(1-methylethoxy)phenyl)-2,2-dimethylpropionohydrazide"
CC(C)OCC(O)COCC,7500.0,4.0,1.0,0.0,162.22899999999998,8.0,3.0,CC(C)OCC(O)COCC,3.8750612633917,
CC(C)OCC1CO1,4200.0,2.0,2.0,0.0,116.16,6.0,2.0,CC(C)OCC1CO1,3.6232492903979003,Isopropyl glycidyl ether
CC(C)OCCCN,980.0,2.0,2.0,0.0,117.19200000000002,6.0,1.0,CC(C)OCCCN,2.9912260756924947,"1-Propanamine, 3-(1-methylethoxy)-"
CC(C)OCCCO,4000.0,2.0,2.0,0.0,118.176,6.0,2.0,CC(C)OCCCO,3.6020599913279625,"1-Propanol, 3-isopropoxy-"
CC(C)OCCO,3500.0,1.0,2.0,0.0,104.149,5.0,2.0,CC(C)OCCO,3.5440680443502757,2-Isopropoxyethanol
CC(C)OCCOC(=O)C1=CC=CC=C1O,1150.0,4.0,1.0,0.0,224.25600000000003,12.0,4.0,CC(C)OCCOC(=O)C1=CC=CC=C1O,3.060697840353612,2-(Propan-2-yloxy)ethyl 2-hydroxybenzoate
CC(C)OCCOC(C)=O,1150.0,2.0,2.0,0.0,146.186,7.0,3.0,CC(C)OCCOC(C)=O,3.060697840353612,CERAPP_36815
CC(C)OP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C,1250.0,4.0,1.0,1.0,344.3250000000001,13.0,6.0,CC(C)OP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C,3.0969100130080562,Tetraisopropyl methylenediphosphonate
CC(C)OP(=O)(F)OC(C)C,5.0,4.0,1.0,0.0,184.147,6.0,3.0,CC(C)OP(=O)(F)OC(C)C,0.6989700043360189,Diisopropyl fluorophosphate
CC(C)OP(=O)(OC(C)C)SCC1C=CC=CC=1,550.0,4.0,1.0,0.0,288.349,13.0,3.0,CC(C)OP(=O)(OC(C)C)SCC1C=CC=CC=1,2.7403626894942437,Iprobenfos
CC(C)OP(=O)OC(C)C,1700.0,4.0,1.0,0.0,166.15699999999998,6.0,3.0,CC(C)OP(=O)OC(C)C,3.230448921378274,"Phosphonic acid, bis(1-methylethyl) ester"
CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)C1C=CC=CC=1,271.0,4.0,0.0,0.0,397.52400000000006,14.0,4.0,CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)C1C=CC=CC=1,2.432969290874406,Bensulide
CC(C)OP(=S)(OC(C)C)SCN1N=C(Cl)C=CC1=O,190.0,4.0,0.0,0.0,356.83700000000005,11.0,3.0,CC(C)OP(=S)(OC(C)C)SCN1N=C(Cl)C=CC1=O,2.278753600952829,"Phosphorodithioic acid, O,O-diisopropyl ester, S-ester with 6-chloro-2-(mercaptomethyl)-3(2H)-pyridazinone"
CC(C)OP(C)(=O)F,0.55,1.0,2.0,0.0,140.094,4.0,2.0,CC(C)OP(C)(=O)F,-0.2596373105057561,Sarin
CC(C)OP(C)(=S)OC1C=C(Cl)C(Br)=CC=1Cl,73.0,4.0,1.0,1.0,378.05500000000006,10.0,2.0,CC(C)OP(C)(=S)OC1C=C(Cl)C(Br)=CC=1Cl,1.863322860120456,
CC(C)OP(OC(C)C)OC(C)C,667.0,4.0,1.0,0.0,208.23799999999997,9.0,3.0,CC(C)OP(OC(C)C)OC(C)C,2.824125833916549,Tripropan-2-yl phosphite
CC(C)S,2751.0,1.0,2.0,0.0,76.164,3.0,0.0,CC(C)S,3.4394905903896835,Isopropyl mercaptan
CC(C)SC(=O)OOC(=O)OC(C)C,1750.0,4.0,2.0,0.0,222.262,8.0,5.0,CC(C)SC(=O)OOC(=O)OC(C)C,3.2430380486862944,Isopropylxanthic disulfide
CC(C)SC1=CC=C(C=C1)C(O)C(C)NCCCCCCCC,1740.0,4.0,1.0,1.0,337.5730000000001,20.0,1.0,CC(C)SC1=CC=C(C=C1)C(O)C(C)NCCCCCCCC,3.2405492482826,Suloctdil
CC(C)[N+]([O-])=O,720.0,1.0,2.0,0.0,89.094,3.0,2.0,CC(C)[N+]([O-])=O,2.8573324964312685,2-Nitropropane
CC(C)[N+]1(C)C2CC(CC1CC2)OC(=O)C(CO)C1C=CC=CC=1,1663.0,4.0,2.0,0.0,332.464,20.0,3.0,CC(C)[N+]1(C)C2CC(CC1CC2)OC(=O)C(CO)C1C=CC=CC=1,3.2208922492195193,Ipratropium
CC(C)[Si](CC(C)C)(OC)OC,2568.0,4.0,1.0,0.0,190.359,9.0,2.0,CC(C)[Si](CC(C)C)(OC)OC,3.4095950193968156,"Silane, dimethoxy(1-methylethyl)(2-methylpropyl)-"
CC(C)[Si](OC(=O)C=C)(C(C)C)C(C)C,2813.0,4.0,0.0,0.0,228.408,12.0,2.0,CC(C)[Si](OC(=O)C=C)(C(C)C)C(C)C,3.449169732165201,Tri-isopropyl silyl acrylate
CC(C1=CC=CC2=CC=CC=C21)C(=O)OCCN1CCN(CC1)CCOC(=O)C(C)C1=CC=CC2=CC=CC=C21,5550.0,0.0,0.0,2.0,538.6880000000002,34.0,4.0,CC(C1=CC=CC2=CC=CC=C21)C(=O)OCCN1CCN(CC1)CCOC(=O)C(C)C1=CC=CC2=CC=CC=C21,3.7442929831226763,
CC(C1C2=CC=CC=C2CC=1CCN(C)C)C1C=CC=CN=1,618.0,4.0,1.0,0.0,292.426,20.0,0.0,CC(C1C2=CC=CC=C2CC=1CCN(C)C)C1C=CC=CN=1,2.790988475088816,Dimethindene
CC(C1C=CC(=CC=1)NC1C=CC(=CC=1)C(C)C1C=CC=CC=1)C1C=CC=CC=1,7500.0,3.0,0.0,1.0,377.53100000000006,28.0,0.0,CC(C1C=CC(=CC=1)NC1C=CC(=CC=1)C(C)C1C=CC=CC=1)C1C=CC=CC=1,3.8750612633917,Styrenated diphenylamine
CC(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1,1000.0,4.0,2.0,1.0,251.156,14.0,0.0,CC(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1,3.0,"Benzene, 1,1'-ethylidenebis(4-chloro-"
CC(C1C=CC(O)=CC=1)(C1C=CC(O)=CC=1)C1C=CC(O)=CC=1,6251.0,4.0,2.0,0.0,306.36100000000005,20.0,3.0,CC(C1C=CC(O)=CC=1)(C1C=CC(O)=CC=1)C1C=CC(O)=CC=1,3.7959494989028033,"4,4',4""-Ethane-1,1,1-triyltriphenol"
CC(C1C=CC(O)=CC=1O)C1C=CC=CC=1,500.0,4.0,2.0,0.0,214.264,14.0,2.0,CC(C1C=CC(O)=CC=1O)C1C=CC=CC=1,2.6989700043360187,"4-(1-phenylethyl)benzene-1,3-diol"
CC(C1C=NC(=CC=1)C(F)(F)F)S(C)(=O)=NC#N,1000.0,4.0,3.0,0.0,277.271,10.0,1.0,CC(C1C=NC(=CC=1)C(F)(F)F)S(C)(=O)=NC#N,3.0,"Cyanamide, N-[methyloxido[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-?4-sulfanylidene]-"
CC(C1CC1)C(O)(CN1C=NC=N1)C1C=CC(Cl)=CC=1,853.0,4.0,3.0,0.0,291.78200000000004,15.0,1.0,CC(C1CC1)C(O)(CN1C=NC=N1)C1C=CC(Cl)=CC=1,2.930949031167523,Cyproconazole
CC(C1NS(=O)(=O)C2C=C(C(Cl)=CC=2N1)S(N)(=O)=O)C1=CC=CC=C1,7500.0,4.0,2.0,0.0,401.8970000000001,15.0,4.0,CC(C1NS(=O)(=O)C2C=C(C(Cl)=CC=2N1)S(N)(=O)=O)C1=CC=CC=C1,3.8750612633917,
CC(C=C)=CCC1OC1(C)C,6251.0,3.0,2.0,0.0,152.23699999999997,10.0,1.0,CC(C=C)=CCC1OC1(C)C,3.7959494989028033,"2,2-Dimethyl-3-(3-methylpenta-2,4-dienyl)oxirane"
CC(C=C)=CCCC(C)(C)O,1700.0,3.0,1.0,0.0,154.253,10.0,1.0,CC(C=C)=CCCC(C)(C)O,3.230448921378274,"2,6-Dimethyl-5,7-octadien-2-ol"
CC(C=C)C#N,403.0,1.0,2.0,0.0,81.118,5.0,0.0,CC(C=C)C#N,2.6053050461411096,2-Methyl-3-butenenitrile
CC(C=CC1CC=C(C)C1(C)C)C(C)O,1250.0,4.0,0.0,0.0,208.34499999999997,14.0,1.0,CC(C=CC1CC=C(C)C1(C)C)C(C)O,3.0969100130080562,"3-Methyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)pent-4-en-2-ol"
CC(C=CC1NC(=O)C(CCCNC(N)=N)NC(=O)C(C)C(NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(=C)N(C)C(=O)CCC(NC(=O)C1C)C(O)=O)C(O)=O)=CC(C)C(CC1C=CC=CC=1)OC,5.0,1.0,1.0,3.0,995.189,49.0,12.0,CC(C=CC1NC(=O)C(CCCNC(N)=N)NC(=O)C(C)C(NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(=C)N(C)C(=O)CCC(NC(=O)C1C)C(O)=O)C(O)=O)=CC(C)C(CC1C=CC=CC=1)OC,0.6989700043360189,Microcystin LR
CC(C=CCC(C)CCCC(C)(C)OC)=CC(=O)OC(C)C,10001.0,4.0,1.0,1.0,310.47800000000007,19.0,3.0,CC(C=CCC(C)CCCC(C)(C)OC)=CC(=O)OC(C)C,4.000043427276863,Methoprene
CC(C=CCC(C)CCCC(C)(C)OC)=CC(=O)SCC,10000.0,4.0,1.0,1.0,312.519,18.0,2.0,CC(C=CCC(C)CCCC(C)(C)OC)=CC(=O)SCC,4.0,Triprene
CC(C=CCC(C)CCCC(C)C)=CC(=O)OCC,10001.0,4.0,1.0,0.0,266.42499999999995,17.0,2.0,CC(C=CCC(C)CCCC(C)C)=CC(=O)OCC,4.000043427276863,Hydroprene
CC(C=O)=CCC,4290.0,1.0,2.0,0.0,98.14499999999998,6.0,1.0,CC(C=O)=CCC,3.6324572921847245,2-Methylpent-2-enal
CC(C=O)C(=O)C1=CC=C(C=C1)C1CCCCC1,1000.0,4.0,1.0,0.0,244.33399999999992,16.0,2.0,CC(C=O)C(=O)C1=CC=C(C=C1)C1CCCCC1,3.0,
CC(C=O)C1C=CC=CC=1,2800.0,3.0,2.0,0.0,134.17799999999997,9.0,1.0,CC(C=O)C1C=CC=CC=1,3.4471580313422194,Hydratropaldehyde
CC(CC#CC)C(O)C=CC1C2C(CC1O)OC1C2=CC=CC=1CCCC(O)=O,11.8,4.0,1.0,0.0,398.4990000000002,24.0,5.0,CC(CC#CC)C(O)C=CC1C2C(CC1O)OC1C2=CC=CC=1CCCC(O)=O,1.0718820073061255,Beraprost
CC(CC#CC)C(O)C=CC1C2CC(CC2CC1O)=CCCCC(O)=O,100.0,4.0,0.0,0.0,360.4940000000002,22.0,4.0,CC(CC#CC)C(O)C=CC1C2CC(CC2CC1O)=CCCCC(O)=O,2.0,Iloprost
CC(CC#N)CCC=C(C)C,5098.0,3.0,2.0,0.0,151.253,10.0,0.0,CC(CC#N)CCC=C(C)C,3.7073998311332486,"3,7-Dimethyloct-6-enenitrile"
CC(CC#N)N1CC1,121.0,1.0,2.0,0.0,110.16,6.0,0.0,CC(CC#N)N1CC1,2.0827853703164503,"1-Aziridinepropanenitrile, .beta.-methyl-"
CC(CC(=O)CC)CC,2725.0,2.0,2.0,0.0,128.21499999999995,8.0,1.0,CC(CC(=O)CC)CC,3.4353665066126613,5-Methyl-3-heptanone
CC(CC(=O)Cl)CC(C)(C)C,1700.0,4.0,2.0,0.0,176.68699999999998,9.0,1.0,CC(CC(=O)Cl)CC(C)(C)C,3.230448921378274,"Hexanoylchloride,3,5,5-trimethyl-"
CC(CC(=O)NCC(CCCC)CC)OC(=O)CCC(O)=O,10001.0,4.0,2.0,0.0,315.4100000000001,16.0,5.0,CC(CC(=O)NCC(CCCC)CC)OC(=O)CCC(O)=O,4.000043427276863,Butoctamide semisuccinate
CC(CC(=O)OC(C)(C)C)N=NC1=CC=C(N=N1)N1CCOCC1,970.0,4.0,3.0,0.0,335.40800000000013,16.0,3.0,CC(CC(=O)OC(C)(C)C)N=NC1=CC=C(N=N1)N1CCOCC1,2.9867717342662448,
CC(CC(=O)OCC(CCCC)CC)CC(C)(C)C,7500.0,4.0,1.0,1.0,270.45699999999994,17.0,2.0,CC(CC(=O)OCC(CCCC)CC)CC(C)(C)C,3.8750612633917,CERAPP_45223
CC(CC(C)(C)C)CC(C)(C)C,10001.0,4.0,1.0,0.0,170.33999999999995,12.0,0.0,CC(CC(C)(C)C)CC(C)(C)C,4.000043427276863,"2,2,4,6,6-Pentamethylheptane"
CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C,6251.0,3.0,1.0,1.0,226.44799999999995,16.0,0.0,CC(CC(C)(C)C)CC(C)(C)CC(C)(C)C,3.7959494989028033,"2,2,4,4,6,8,8-Heptamethylnonane"
CC(CC(C)(C)C)CCOC(C)=O,4250.0,4.0,2.0,0.0,186.295,11.0,2.0,CC(CC(C)(C)C)CCOC(C)=O,3.6283889300503116,"3,5,5-Trimethylhexyl acetate"
CC(CC(C)(C)C)C[Si](Cl)(Cl)Cl,112.0,4.0,1.0,0.0,247.669,8.0,0.0,CC(CC(C)(C)C)C[Si](Cl)(Cl)Cl,2.0492180226701815,"Trichloro(2,4,4-trimethylpentyl)silane"
CC(CC(C)(C)C)C[Si](OC)(OC)OC,2751.0,4.0,1.0,0.0,234.412,11.0,3.0,CC(CC(C)(C)C)C[Si](OC)(OC)OC,3.4394905903896835,"Silane, trimethoxy(2,4,4-trimethylpentyl)-"
CC(CC(C)(C)C)C[Si](OCC)(OCC)OCC,2751.0,4.0,1.0,0.0,276.493,14.0,3.0,CC(CC(C)(C)C)C[Si](OCC)(OCC)OCC,3.4394905903896835,CERAPP_39508
CC(CC(C)C)=NCCNCCN=C(C)CC(C)C,1673.0,4.0,1.0,0.0,267.461,16.0,0.0,CC(CC(C)C)=NCCNCCN=C(C)CC(C)C,3.2234959409623944,"1,2-Ethanediamine, N-(1,3-dimethylbutylidene)-N'-[2-[(1,3-dimethylbutylidene)amino]ethyl]-"
CC(CC(C)C)CC(CC(C)C)OCCO,5650.0,4.0,1.0,0.0,230.39199999999997,14.0,2.0,CC(CC(C)C)CC(CC(C)C)OCCO,3.7520484478194387,"alpha-[3.5-dimethyl-1-(2-methylpropyl)hexyl]-omega-hydroxy-poly(oxy-1,2-ethandiyl)"
CC(CC(C)C)CC(O)CC(C)C,10001.0,4.0,1.0,0.0,186.33899999999997,12.0,1.0,CC(CC(C)C)CC(O)CC(C)C,4.000043427276863,"2,6,8-Trimethyl-4-nonanol"
CC(CC(C)C)OC(=O)CC(C(=O)OC(C)CC(C)C)S(O)(=O)=O,1750.0,4.0,1.0,0.0,366.47600000000006,16.0,7.0,CC(CC(C)C)OC(=O)CC(C(=O)OC(C)CC(C)C)S(O)(=O)=O,3.2430380486862944,"Butanedioic acid, sulfo-, 1,4-bis(1,3-dimethylbutyl) ester, sodium salt"
CC(CC(C1C=CC=CC=1)C1C=CC=CC=1)NC(C)(C)C,465.0,4.0,2.0,0.0,281.44300000000004,20.0,0.0,CC(CC(C1C=CC=CC=1)C1C=CC=CC=1)NC(C)(C)C,2.667452952889954,Terodiline hydrochloride
CC(CC(CC)N=O)CC,3800.0,3.0,1.0,0.0,143.23,8.0,1.0,CC(CC(CC)N=O)CC,3.57978359661681,5-Methylheptan-3-one oxime
CC(CC(CC)NC1C=CC(=CC=1)NC(CC(C)CC)CC)CC,2400.0,3.0,1.0,1.0,332.5760000000001,22.0,0.0,CC(CC(CC)NC1C=CC(=CC=1)NC(CC(C)CC)CC)CC,3.380211241711606,"N,N'-Bis(5-methylheptan-3-yl)benzene-1,4-diamine"
CC(CC(O)=O)CC(C)(C)C,1370.0,3.0,2.0,0.0,158.24099999999996,9.0,2.0,CC(CC(O)=O)CC(C)(C)C,3.1367205671564067,"Hexanoic acid, 3,5,5-trimethyl-, potassium salt (1:1)"
CC(CC(OC)OC)OC,1480.0,2.0,1.0,0.0,148.202,7.0,3.0,CC(CC(OC)OC)OC,3.1702617153949575,
CC(CC)(C#N)N=NC(C)(CC)C#N,335.0,4.0,1.0,0.0,192.266,10.0,0.0,CC(CC)(C#N)N=NC(C)(CC)C#N,2.525044807036845,"2,2'-Azobis(2-methylbutanenitrile)"
CC(CC)(CC)C1C=C(N)ON=1,144.0,4.0,2.0,0.0,168.23999999999995,9.0,1.0,CC(CC)(CC)C1C=C(N)ON=1,2.1583624920952498,"5-Isoxazolamine, 3-(1-ethyl-1-methylpropyl)-"
CC(CC)(OC1C=CC(=CC=1)C1(CCCCC1)C1C=CC(=CC=1)OC(C)(CC)C(O)=O)C(O)=O,4000.0,2.0,0.0,1.0,468.59000000000026,28.0,6.0,CC(CC)(OC1C=CC(=CC=1)C1(CCCCC1)C1C=CC(=CC=1)OC(C)(CC)C(O)=O)C(O)=O,3.6020599913279625,Clinofibrate
CC(CC)(OOC(C)(CC)OO)OO,884.0,4.0,1.0,0.0,210.2259999999999,8.0,6.0,CC(CC)(OOC(C)(CC)OO)OO,2.946452265013073,2-Butanone peroxide
CC(CC)=NO[Si](C=C)(ON=C(C)CC)ON=C(C)CC,3757.0,4.0,1.0,0.0,313.47400000000005,14.0,3.0,CC(CC)=NO[Si](C=C)(ON=C(C)CC)ON=C(C)CC,3.5748411950633847,"2-Butanone, O,O',O''-(ethenylsilylidyne)trioxime"
CC(CC)=NO[Si](ON=C(C)CC)(ON=C(C)CC)ON=C(C)CC,2463.0,4.0,0.0,0.0,372.54200000000014,16.0,4.0,CC(CC)=NO[Si](ON=C(C)CC)(ON=C(C)CC)ON=C(C)CC,3.3914644118391033,"2-Butanone, O,O',O'',O'''-silanetetrayltetraoxime"
CC(CC)C(=O)N(C)C1C=CC=CC=1,3500.0,4.0,2.0,0.0,191.27400000000003,12.0,1.0,CC(CC)C(=O)N(C)C1C=CC=CC=1,3.5440680443502757,CERAPP_46936
CC(CC)C(=O)OCC,2751.0,2.0,2.0,0.0,130.18699999999998,7.0,2.0,CC(CC)C(=O)OCC,3.4394905903896835,Ethyl 2-methylbutyrate
CC(CC)C(C(=O)OCC[N+](C)(CC)CC)C1C=CC=CC=1,1260.0,4.0,1.0,0.0,306.4699999999999,19.0,2.0,CC(CC)C(C(=O)OCC[N+](C)(CC)CC)C1C=CC=CC=1,3.100370545117563,Diethylmethyl(2-3-methyl-2-phenylvaleryloxy)-ethyl)ammonium bromide
CC(CC)C(C1=CC=CC=C1)C(=O)OC1CC[N+](C)(C)CC1,720.0,4.0,1.0,0.0,304.45399999999995,19.0,2.0,CC(CC)C(C1=CC=CC=C1)C(=O)OC1CC[N+](C)(C)CC1,2.8573324964312685,
CC(CC)C(CC)C(N)=O,760.0,3.0,2.0,0.0,143.23,8.0,1.0,CC(CC)C(CC)C(N)=O,2.8808135922807914,
CC(CC)C(N)C(O)=O,9750.0,2.0,2.0,0.0,131.175,6.0,2.0,CC(CC)C(N)C(O)=O,3.989004615698537,L-Isoleucine
CC(CC)C1(CC)C(O)=NC(=O)N=C1O,78.0,4.0,2.0,0.0,212.24899999999997,10.0,3.0,CC(CC)C1(CC)C(O)=NC(=O)N=C1O,1.8920946026904804,Butabarbital Sodium
CC(CC)C1=CC(=CC(=C1OC(=O)SCC)[N+]([O-])=O)[N+]([O-])=O,147.0,4.0,1.0,0.0,328.34600000000006,13.0,6.0,CC(CC)C1=CC(=CC(=C1OC(=O)SCC)[N+]([O-])=O)[N+]([O-])=O,2.167317334748176,
CC(CC)C1=CC(=CC(C(C)CC)=C1O)N=NC1C=CC(=CC=1)[N+]([O-])=O,6561.0,3.0,0.0,1.0,355.43800000000016,20.0,3.0,CC(CC)C1=CC(=CC(C(C)CC)=C1O)N=NC1C=CC(=CC=1)[N+]([O-])=O,3.8169700377572995,"Phenol, 2,6-bis(1-methylpropyl)-4-[2-(4-nitrophenyl)diazenyl]-"
CC(CC)C1=CC=CC(C(C)CC)=C1O,1100.0,4.0,0.0,0.0,206.32899999999995,14.0,1.0,CC(CC)C1=CC=CC(C(C)CC)=C1O,3.041392685158225,"2,6-Di(butan-2-yl)phenol"
CC(CC)C1C=C(C=C(C(C)CC)C=1O)C(C)CC,2000.0,3.0,1.0,1.0,262.43699999999995,18.0,1.0,CC(CC)C1C=C(C=C(C(C)CC)C=1O)C(C)CC,3.3010299956639813,CERAPP_32072
CC(CC)C1C=CC(O)=CC=1,2450.0,3.0,2.0,0.0,150.22099999999998,10.0,1.0,CC(CC)C1C=CC(O)=CC=1,3.3891660843645326,4-(Butan-2-yl)phenol
CC(CC)C1CCCCC1(C#C)OC(C)=O,680.0,4.0,2.0,0.0,222.32799999999995,14.0,2.0,CC(CC)C1CCCCC1(C#C)OC(C)=O,2.832508912706236,CERAPP_39718
CC(CC)C1CCCCC1=O,2400.0,3.0,2.0,0.0,154.253,10.0,1.0,CC(CC)C1CCCCC1=O,3.380211241711606,2-sec-Butylcyclohexanone
CC(CC)CC,10001.0,2.0,2.0,0.0,86.178,6.0,0.0,CC(CC)CC,4.000043427276863,3-Methylpentane
CC(CC)N1N=CN(C1=O)C1C=CC(=CC=1)N1CCN(CC1)C1C=CC(=CC=1)OCC1COC(CN2C=NC=N2)(O1)C1C=CC(Cl)=CC=1Cl,320.0,1.0,0.0,4.0,705.6470000000002,35.0,4.0,CC(CC)N1N=CN(C1=O)C1C=CC(=CC=1)N1CCN(CC1)C1C=CC(=CC=1)OCC1COC(CN2C=NC=N2)(O1)C1C=CC(Cl)=CC=1Cl,2.505149978319906,Itraconazole
CC(CC)NC1C=CC(=CC=1)NC(C)CC,260.0,4.0,0.0,0.0,220.36,14.0,0.0,CC(CC)NC1C=CC(=CC=1)NC(C)CC,2.4149733479708178,"N,N'-Bis(1-methylpropyl)-1,4-benzenediamine"
CC(CC)NC1CCC(CC2CCC(CC2)NC(C)CC)CC1,443.0,4.0,1.0,1.0,322.58100000000013,21.0,0.0,CC(CC)NC1CCC(CC2CCC(CC2)NC(C)CC)CC1,2.6464037262230695,"Cyclohexanamine, 4,4'-methylenebis[N-(1-methylpropyl)-"
CC(CC)NC1N=C(NCC)N=C(Cl)N=1,3000.0,4.0,1.0,0.0,229.715,9.0,0.0,CC(CC)NC1N=C(NCC)N=C(Cl)N=1,3.4771212547196626,Sebuthylazine
CC(CC)NCC(O)C1C=CC(N)=CC=1,650.0,4.0,1.0,0.0,208.305,12.0,1.0,CC(CC)NCC(O)C1C=CC(N)=CC=1,2.8129133566428557,
CC(CC)OC(CBr)C1C=CC=C(Cl)C=1,250.0,4.0,2.0,0.0,291.616,12.0,1.0,CC(CC)OC(CBr)C1C=CC=C(Cl)C=1,2.3979400086720375,
CC(CC)O[Si](OC(C)CC)(OC(C)CC)OC(C)CC,10000.0,4.0,1.0,0.0,320.54600000000005,16.0,4.0,CC(CC)O[Si](OC(C)CC)(OC(C)CC)OC(C)CC,4.0,Tetrakis(1-methylpropyl) orthosilicate
CC(CC)SP(=O)(OCC)N1CCSC1=O,61.0,4.0,1.0,0.0,283.355,9.0,3.0,CC(CC)SP(=O)(OCC)N1CCSC1=O,1.7853298350107671,Fosthiazate
CC(CC)SP(=O)(OCC)SC(C)CC,303.0,4.0,1.0,1.0,270.4,10.0,2.0,CC(CC)SP(=O)(OCC)SC(C)CC,2.481442628502305,Cadusafos
CC(CC)SP(=S)(OCC)N(CC)C=O,95.9,4.0,2.0,0.0,269.372,9.0,2.0,CC(CC)SP(=S)(OCC)N(CC)C=O,1.9818186071706636,
CC(CC1=CC(OC)=C(C=C1)OC)(NC(N)=O)C(O)=O,6251.0,4.0,2.0,0.0,282.296,13.0,5.0,CC(CC1=CC(OC)=C(C=C1)OC)(NC(N)=O)C(O)=O,3.7959494989028033,"N-Carbamoyl-3-methoxy-O,alpha-dimethyl-L-tyrosine"
CC(CC1=CC=C(C=C1)C(C)(C)C)C=O,1390.0,4.0,2.0,0.0,204.313,14.0,1.0,CC(CC1=CC=C(C=C1)C(C)(C)C)C=O,3.143014800254095,3-(4-tert-Butylphenyl)-2-methylpropanal
CC(CC1C=CC(=CC=1)C(C)(C)C)CN1CC(C)OC(C)C1,2169.0,4.0,2.0,0.0,303.49000000000007,20.0,1.0,CC(CC1C=CC(=CC=1)C(C)(C)C)CN1CC(C)OC(C)C1,3.336259552014193,"(2R,6S)-Fenpropimorph"
CC(CC1C=CC(=CC=1)C(C)(C)C)CN1CCCCC1,1449.5,4.0,2.0,0.0,273.464,19.0,0.0,CC(CC1C=CC(=CC=1)C(C)(C)C)CN1CCCCC1,3.1612182196910164,Fenpropidin
CC(CC1C=CC(=CC=1)OC)NCC(O)C1=CC(NC=O)=C(O)C=C1,3130.0,4.0,2.0,0.0,344.41100000000006,19.0,4.0,CC(CC1C=CC(=CC=1)OC)NCC(O)C1=CC(NC=O)=C(O)C=C1,3.4955443375464483,Formoterol
CC(CC1C=CC(O)=CC=1)NCC(O)C1C=C(O)C=C(O)C=1,1600.0,4.0,2.0,0.0,303.358,17.0,4.0,CC(CC1C=CC(O)=CC=1)NCC(O)C1C=C(O)C=C(O)C=1,3.2041199826559246,Fenoterol hydrobromide
CC(CC1C=CC2OCOC=2C=1)C=O,3461.0,4.0,2.0,0.0,192.21399999999997,11.0,3.0,CC(CC1C=CC2OCOC=2C=1)C=O,3.539201599294128,"alpha-Methyl-3,4-methylene-dioxyhydrocinnamic aldehyde"
CC(CC1C=CC=CC=1)(NC(=O)CN)C1C=CC=CC=1,940.0,4.0,3.0,0.0,268.35999999999996,17.0,1.0,CC(CC1C=CC=CC=1)(NC(=O)CN)C1C=CC=CC=1,2.9731278535996988,Remacemide hydrochloride
CC(CC1C=CC=CC=1)C(C)O,3500.0,4.0,2.0,0.0,164.24800000000002,11.0,1.0,CC(CC1C=CC=CC=1)C(C)O,3.5440680443502757,3-Methyl-4-phenyl-2-butanol
CC(CC1C=CC=CC=1)N(C)CC1C=CC=CC=1,160.0,4.0,1.0,0.0,239.36199999999997,17.0,0.0,CC(CC1C=CC=CC=1)N(C)CC1C=CC=CC=1,2.2041199826559246,Benzphetamine
CC(CC1C=CC=CC=1)NCCC(C1C=CC=CC=1)C1C=CC=CC=1,625.0,4.0,1.0,1.0,329.487,24.0,0.0,CC(CC1C=CC=CC=1)NCCC(C1C=CC=CC=1)C1C=CC=CC=1,2.7958800173440754,Prenylamine lactate
CC(CC1C=CC=CC=1)NCCN1C=NC2=C1C(=O)N(C)C(=O)N2C,100.0,4.0,2.0,0.0,341.415,18.0,2.0,CC(CC1C=CC=CC=1)NCCN1C=NC2=C1C(=O)N(C)C(=O)N2C,2.0,Fenethylline hydrochloride
CC(CC1C=CC=CC=1)NN,34.0,3.0,2.0,0.0,150.22499999999997,9.0,0.0,CC(CC1C=CC=CC=1)NN,1.5314789170422551,beta-Phenylisopropylhydrazine hydrochloride
CC(CC1CC(=O)C(C(=O)CC)C(=O)C1)SCC,170.0,4.0,2.0,0.0,270.394,14.0,3.0,CC(CC1CC(=O)C(C(=O)CC)C(=O)C1)SCC,2.230448921378274,"1,3-Cyclohexanedione, 5-[2-(ethylthio)propyl]-2-(1-oxopropyl)-"
CC(CC1CC(=O)C(C(CC)=NOCC=CCl)C(=O)C1)SCC,1495.0,4.0,0.0,0.0,359.91900000000004,17.0,3.0,CC(CC1CC(=O)C(C(CC)=NOCC=CCl)C(=O)C1)SCC,3.1746411926604483,Clethodim
CC(CC1CC(=O)C(C(CCC)=NOCC)C(=O)C1)SCC,3031.5,4.0,1.0,0.0,327.4900000000001,17.0,3.0,CC(CC1CC(=O)C(C(CCC)=NOCC)C(=O)C1)SCC,3.481657572570985,Sethoxydim
CC(CC1CCCC1)NC,169.0,3.0,2.0,0.0,141.25799999999998,9.0,0.0,CC(CC1CCCC1)NC,2.2278867046136734,
CC(CC1CCCCC1)NC,83.0,3.0,2.0,0.0,155.28499999999997,10.0,0.0,CC(CC1CCCCC1)NC,1.919078092376074,(+/-) Propylhexedrine
CC(CC1OCC(CC2OC2C(C)C(C)O)C(O)C1O)=CC(=O)OCCCCCCCCC(O)=O,7500.0,2.0,1.0,1.0,500.62900000000013,26.0,9.0,CC(CC1OCC(CC2OC2C(C)C(C)O)C(O)C1O)=CC(=O)OCCCCCCCCC(O)=O,3.8750612633917,Mupirocin
CC(CC=O)C1C=CC=CC=1,2751.0,3.0,2.0,0.0,148.20499999999998,10.0,1.0,CC(CC=O)C1C=CC=CC=1,3.4394905903896835,3-Phenylbutyraldehyde
CC(CC=O)CC(C)(C)C,4000.0,3.0,2.0,0.0,142.242,9.0,1.0,CC(CC=O)CC(C)(C)C,3.6020599913279625,"3,5,5-Trimethylhexanal"
CC(CC=O)CCCC(C)(C)O,5976.0,4.0,1.0,0.0,172.268,10.0,2.0,CC(CC=O)CCCC(C)(C)O,3.7764105888073423,"7-Hydroxy-3,7-dimethyloctanal"
CC(CCC#N)C#N,210.0,1.0,2.0,0.0,108.144,6.0,0.0,CC(CCC#N)C#N,2.322219294733919,2-Methylpentanedinitrile
CC(CCC(C)(CC)OC(C)=O)CC,7500.0,4.0,0.0,0.0,200.32199999999995,12.0,2.0,CC(CCC(C)(CC)OC(C)=O)CC,3.8750612633917,"3-Octanol, 3,6-dimethyl-, 3-acetate"
CC(CCC(C)(O)CC)CC,7500.0,3.0,1.0,0.0,158.285,10.0,1.0,CC(CCC(C)(O)CC)CC,3.8750612633917,"3,6-Dimethyl-3-octanol"
CC(CCC(O)=O)(C#N)N=NC(C)(CCC(O)=O)C#N,3500.0,4.0,2.0,0.0,280.284,12.0,4.0,CC(CCC(O)=O)(C#N)N=NC(C)(CCC(O)=O)C#N,3.5440680443502757,"4,4'-Diazene-1,2-diylbis(4-cyanopentanoic acid)"
CC(CCC(O)=O)C(O)=O,750.0,2.0,2.0,0.0,146.142,6.0,4.0,CC(CCC(O)=O)C(O)=O,2.8750612633917,2-Methylpentanedioic acid
CC(CCC(O)=O)C1CCC2C3C(CC(=O)C21C)C1(C)CCC(=O)CC1CC3=O,3877.5,4.0,1.0,0.0,402.53100000000023,24.0,5.0,CC(CCC(O)=O)C1CCC2C3C(CC(=O)C21C)C1(C)CCC(=O)CC1CC3=O,3.5885518064856425,"Cholan-24-oic acid, 3,7,12-trioxo-, sodium salt, (5.beta.)-"
CC(CCC(O)=O)C1CCC2C3C(CCC21C)C1(C)CCC(O)CC1CC3O,4000.0,4.0,0.0,0.0,392.5800000000002,24.0,4.0,CC(CCC(O)=O)C1CCC2C3C(CCC21C)C1(C)CCC(O)CC1CC3O,3.6020599913279625,Chenodeoxycholic acid
CC(CCC(O)=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C21C,1185.0,4.0,0.0,0.0,392.58000000000015,24.0,4.0,CC(CCC(O)=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C21C,3.0737183503461227,Sodium deoxycholate
CC(CCC)CCOC(=O)C1=CC=CC=C1C(=O)OCCC(C)CCC,10001.0,3.0,0.0,1.0,362.5100000000002,22.0,4.0,CC(CCC)CCOC(=O)C1=CC=CC=C1C(=O)OCCC(C)CCC,4.000043427276863,
CC(CCC1C(C)=CCCC1(C)C)C=O,7500.0,4.0,0.0,0.0,208.34499999999997,14.0,1.0,CC(CCC1C(C)=CCCC1(C)C)C=O,3.8750612633917,"2-Methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)butanal"
CC(CCC1C=CC=CC=1)NCC(O)C1=CC(=C(O)C=C1)C(N)=O,2114.0,4.0,2.0,0.0,328.4120000000001,19.0,3.0,CC(CCC1C=CC=CC=1)NCC(O)C1=CC(=C(O)C=C1)C(N)=O,3.3251049829714074,Labetalol hydrochloride
CC(CCC1C=CC=CC=1)NCC(O)C1C=C(C(O)=CC=1)C(N)=O,3500.0,4.0,2.0,0.0,328.4120000000001,19.0,3.0,CC(CCC1C=CC=CC=1)NCC(O)C1C=C(C(O)=CC=1)C(N)=O,3.5440680443502757,Labetalol
CC(CCC=C(C)C)C=C,6251.0,3.0,1.0,0.0,138.254,10.0,0.0,CC(CCC=C(C)C)C=C,3.7959494989028033,"3,7-Dimethylocta-1,6-diene"
CC(CCC=C(C)C)C=O,7500.0,3.0,2.0,0.0,140.226,9.0,1.0,CC(CCC=C(C)C)C=O,3.8750612633917,"2,6-Dimethylhept-5-enal"
CC(CCC=C(C)C)CCOC=O,8400.0,4.0,1.0,0.0,184.279,11.0,2.0,CC(CCC=C(C)C)CCOC=O,3.9242792860618816,"3,7-Dimethyloct-6-en-1-yl formate"
CC(CCC=C(C)C)CCOCC=O,7500.0,4.0,1.0,0.0,198.306,12.0,2.0,CC(CCC=C(C)C)CCOCC=O,3.8750612633917,"[(3,7-Dimethyl-6-octenyl)oxy]acetaldehyde"
CC(CCC=C(C)C1CC(=O)C(C)(C)O1)=CCC1C(O)=C(Cl)C(C)=C(C=O)C=1O,7000.0,4.0,0.0,1.0,420.9330000000002,23.0,5.0,CC(CCC=C(C)C1CC(=O)C(C)(C)O1)=CCC1C(O)=C(Cl)C(C)=C(C=O)C=1O,3.845098040014257,
CC(CCC=C(C)CCC=C(C)C)=CCCC(=O)OCC=C(C)CCC=C(C)C,9000.0,2.0,0.0,1.0,400.6470000000002,27.0,2.0,CC(CCC=C(C)CCC=C(C)C)=CCCC(=O)OCC=C(C)CCC=C(C)C,3.9542425094393248,Gefarnate
CC(CCC=C(C)CCC=O)C=C,7500.0,4.0,0.0,0.0,180.29099999999997,12.0,1.0,CC(CCC=C(C)CCC=O)C=C,3.8750612633917,CERAPP_45251
CC(CCC=O)=CC1C=CC(C)=CC=1,3500.0,4.0,2.0,0.0,188.26999999999995,13.0,1.0,CC(CCC=O)=CC1C=CC(C)=CC=1,3.5440680443502757,"4-Pentenal, 4-methyl-5-(4-methylphenyl)-, (4E)-"
CC(CCCC(C)(C)O)C=C,3600.0,3.0,1.0,0.0,156.269,10.0,1.0,CC(CCCC(C)(C)O)C=C,3.5563025007672873,"1,1,5-Trimethyl-6-heptenol"
CC(CCCC(C)(C)OC(C)=O)C=C,7500.0,4.0,1.0,0.0,198.306,12.0,2.0,CC(CCCC(C)(C)OC(C)=O)C=C,3.8750612633917,"2,6-Dimethyloct-7-en-2-yl acetate"
CC(CCCC(C)(C)OC)C(C)O,4490.0,4.0,1.0,0.0,188.311,11.0,2.0,CC(CCCC(C)(C)OC)C(C)O,3.6522463410033232,"7-Methoxy-3,7-dimethyloctan-2-ol"
CC(CCCC)C(O)C#CC1CCC(=O)C1CC=CCCCC(=O)OC,338.0,4.0,0.0,0.0,362.51000000000016,22.0,4.0,CC(CCCC)C(O)C#CC1CCC(=O)C1CC=CCCCC(=O)OC,2.5289167002776547,
CC(CCCCCCCCC)C(OC)OC,7500.0,4.0,0.0,0.0,230.392,14.0,2.0,CC(CCCCCCCCC)C(OC)OC,3.8750612633917,"1,1-Dimethoxy-2-methylundecane"
CC(CCCN(CC)CC)NC1C=CN=C2C=C(Cl)C=CC2=1,330.0,4.0,1.0,0.0,319.88000000000005,18.0,0.0,CC(CCCN(CC)CC)NC1C=CN=C2C=C(Cl)C=CC2=1,2.5185139398778875,Chloroquine
CC(CCCN)CN,1690.0,2.0,2.0,0.0,116.208,6.0,0.0,CC(CCCN)CN,3.2278867046136734,2-Methylpentanediamine
CC(CCO)CC(C)(C)C,2905.0,3.0,2.0,0.0,144.25799999999998,9.0,1.0,CC(CCO)CC(C)(C)C,3.4631461367263494,"3,5,5-Trimethyl-1-hexanol"
CC(CCO)CC1CCCCC=1,1000.0,4.0,2.0,0.0,168.27999999999994,11.0,1.0,CC(CCO)CC1CCCCC=1,3.0,"1-Cyclohexene-1-butanol, .gamma.-methyl-"
CC(CCO)CCC1C=CC=CC=1,2300.0,4.0,2.0,0.0,178.275,12.0,1.0,CC(CCO)CCC1C=CC=CC=1,3.361727836017593,3-Methyl-5-phenylpentan-1-ol
CC(CCO)CCC=C(C)C,3450.0,3.0,1.0,0.0,156.269,10.0,1.0,CC(CCO)CCC=C(C)C,3.537819095073274,Citronellol
CC(CCO)CCCC(C)(C)O,7500.0,4.0,1.0,0.0,174.284,10.0,2.0,CC(CCO)CCCC(C)(C)O,3.8750612633917,"3,7-Dimethyloctane-1,7-diol"
CC(CCO)CCO,7248.0,2.0,2.0,0.0,118.176,6.0,2.0,CC(CCO)CCO,3.8602181846687564,"3-Methyl-1,5-pentanediol"
CC(CCO)CO,5460.0,1.0,2.0,0.0,104.149,5.0,2.0,CC(CCO)CO,3.7371926427047373,
CC(CCl)N(C)C,166.0,1.0,2.0,0.0,121.611,5.0,0.0,CC(CCl)N(C)C,2.220108088040055,"2-Propanamine, 1-chloro-N,N-dimethyl-, hydrochloride (1:1)"
CC(CCl)OC(C)CCl,247.0,4.0,2.0,0.0,171.06699999999998,6.0,1.0,CC(CCl)OC(C)CCl,2.392696953259666,bis(2-Chloro-1-methylethyl) ether
CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl,1391.75,4.0,1.0,0.0,327.572,9.0,4.0,CC(CCl)OP(=O)(OC(C)CCl)OC(C)CCl,3.143561229978976,Tris(2-chloroisopropyl)phosphate
CC(CCl)[N+]([O-])=O,197.0,1.0,2.0,0.0,123.539,3.0,2.0,CC(CCl)[N+]([O-])=O,2.294466226161593,1-Chloro-2-nitropropane
CC(CN(C)C)C(C)(O)CC1C=CC(Cl)=CC=1,802.0,4.0,2.0,0.0,255.789,14.0,1.0,CC(CN(C)C)C(C)(O)CC1C=CC(Cl)=CC=1,2.9041743682841634,Clobutinol hydrochloride
CC(CN(CC(C)OB(O)O)CCN(CC(C)OB(O)O)CC(C)OB(O)O)OB(O)O,4930.0,3.0,1.0,2.0,467.6920000000002,14.0,12.0,CC(CN(CC(C)OB(O)O)CCN(CC(C)OB(O)O)CC(C)OB(O)O)OB(O)O,3.69284691927723,
CC(CN1C(=O)N(CC2CO2)C(C)(C)C1=O)OCC1CO1,1800.0,4.0,2.0,0.0,298.339,14.0,5.0,CC(CN1C(=O)N(CC2CO2)C(C)(C)C1=O)OCC1CO1,3.255272505103306,"2,4-Imidazolidinedione, 5,5-dimethyl-3-[2-(2-oxiranylmethoxy)propyl]-1-(2-oxiranylmethyl)-"
CC(CN1C2C=CC=CC=2SC2C=CC=CC1=2)N(CC)CC,1700.0,4.0,1.0,1.0,312.482,19.0,0.0,CC(CN1C2C=CC=CC=2SC2C=CC=CC1=2)N(CC)CC,3.230448921378274,Ethopropazine hydrochloride
CC(CN1CCCC1)C(=O)C1C=CC(=CC=1)C(F)(F)F,525.0,4.0,2.0,0.0,285.30899999999997,15.0,1.0,CC(CN1CCCC1)C(=O)C1C=CC(=CC=1)C(F)(F)F,2.720159303405957,Lanperisone hydrochloride
CC(CN1CCN(CC(OCC)C2C=CC=CC=2)CC1)C(=O)C1C=CC=CC=1,763.0,4.0,0.0,0.0,380.53200000000015,24.0,2.0,CC(CN1CCN(CC(OCC)C2C=CC=CC=2)CC1)C(=O)C1C=CC=CC=1,2.8825245379548803,Eprazinone
CC(CN1CCOCC1)C(C(=O)N1CCCC1)(C1C=CC=CC=1)C1C=CC=CC=1,71.8,4.0,1.0,0.0,392.543,25.0,2.0,CC(CN1CCOCC1)C(C(=O)N1CCCC1)(C1C=CC=CC=1)C1C=CC=CC=1,1.8561244442423004,Dextromoramide
CC(CN=CC1=CC=CC=C1O)N=CC1=CC=CC=C1O,2955.0,4.0,2.0,0.0,282.343,17.0,2.0,CC(CN=CC1=CC=CC=C1O)N=CC1=CC=CC=C1O,3.4705574852172743,"N,N'-Disalicylidene-1,2-diaminopropane"
CC(CNC(CC(=O)OCC)C(=O)OCC)CCCNC(CC(=O)OCC)C(=O)OCC,3500.0,3.0,1.0,0.0,460.5680000000003,22.0,8.0,CC(CNC(CC(=O)OCC)C(=O)OCC)CCCNC(CC(=O)OCC)C(=O)OCC,3.5440680443502757,CERAPP_49595
CC(CO)(CO)C(O)=O,2751.0,0.0,2.0,0.0,134.131,5.0,4.0,CC(CO)(CO)C(O)=O,3.4394905903896835,3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid
CC(CO)(CO)C=O,6251.0,0.0,2.0,0.0,118.132,5.0,3.0,CC(CO)(CO)C=O,3.7959494989028033,"Propanal, 3-hydroxy-2-(hydroxymethyl)-2-methyl-"
CC(CO)(CO)CO,10001.0,1.0,2.0,0.0,120.148,5.0,3.0,CC(CO)(CO)CO,4.000043427276863,"2-(Hydroxymethyl)-2-methyl-1,3-propanediol"
CC(CO)=CCNC1=NC=NC2NC=NC1=2,7500.0,4.0,2.0,0.0,219.248,10.0,1.0,CC(CO)=CCNC1=NC=NC2NC=NC1=2,3.8750612633917,trans-Zeatin
CC(CO)C1C=CC=CC=1,2300.0,3.0,2.0,0.0,136.194,9.0,1.0,CC(CO)C1C=CC=CC=1,3.361727836017593,2-Phenylpropan-1-ol
CC(CO)C1CCCCCCCCCCC1,10000.0,4.0,1.0,0.0,226.4039999999999,15.0,1.0,CC(CO)C1CCCCCCCCCCC1,4.0,2-Cyclododecylpropan-1-ol
CC(CO)CC(C)C1C=CC=CC=1,3600.0,4.0,2.0,0.0,178.275,12.0,1.0,CC(CO)CC(C)C1C=CC=CC=1,3.5563025007672873,2-Methyl-4-phenylpentanol
CC(CO)CCCC1CCCCC1,2751.0,4.0,2.0,0.0,184.32299999999995,12.0,1.0,CC(CO)CCCC1CCCCC1,3.4394905903896835,"Cyclohexanepentanol, .beta.-methyl-"
CC(CO)CO,7500.0,1.0,2.0,0.0,90.122,4.0,2.0,CC(CO)CO,3.8750612633917,"2-Methylpropane-1,3-diol"
CC(CO)OC1C=CC=CC=1,2830.0,3.0,2.0,0.0,152.19299999999998,9.0,2.0,CC(CO)OC1C=CC=CC=1,3.45178643552429,2-Phenoxy-1-propanol
CC(COC(=O)C1C=CC=CC=1)OC(=O)C1C=CC=CC=1,3552.0,4.0,3.0,0.0,284.311,17.0,4.0,CC(COC(=O)C1C=CC=CC=1)OC(=O)C1C=CC=CC=1,3.5504729571065634,"1,2-Propanediol, dibenzoate"
CC(COC(C)COC(=O)C=C)OCC(C)OC(=O)C=C,6800.0,4.0,2.0,0.0,300.35100000000006,15.0,6.0,CC(COC(C)COC(=O)C=C)OCC(C)OC(=O)C=C,3.832508912706236,Tripropylene glycol diacrylate
CC(COC(N)=O)(CCC)COC(=O)NCCCC,1040.0,4.0,2.0,0.0,274.36099999999993,13.0,4.0,CC(COC(N)=O)(CCC)COC(=O)NCCCC,3.0170333392987803,Tybamate
CC(COC(O)CC)OC(CC)OCCCC,2912.0,4.0,1.0,0.0,248.36299999999997,13.0,4.0,CC(COC(O)CC)OC(CC)OCCCC,3.4641913706409997,Tripropylene glycol butyl ether
CC(COC1C=CC(=CC=1)C(C)(C)C)OS(=O)OCCCl,3900.0,4.0,1.0,0.0,334.8650000000001,15.0,4.0,CC(COC1C=CC(=CC=1)C(C)(C)C)OS(=O)OCCCl,3.591064607026499,Aramite
CC(COC1C=CC(=CC=1)OC1C=CC=CC=1)OC1C=CC=CN=1,7500.0,4.0,1.0,0.0,321.37600000000003,20.0,3.0,CC(COC1C=CC(=CC=1)OC1C=CC=CC=1)OC1C=CC=CN=1,3.8750612633917,Pyriproxyfen
CC(COC1C=CC=CC=1)N(CCCl)CC1C=CC=CC=1,2500.0,4.0,1.0,0.0,303.83299999999997,18.0,1.0,CC(COC1C=CC=CC=1)N(CCCl)CC1C=CC=CC=1,3.3979400086720375,Phenoxybenzamine
CC(COC1C=CC=CC=1)NC(C)C(O)C1=CC=C(O)C=C1,1750.0,4.0,2.0,0.0,301.386,18.0,3.0,CC(COC1C=CC=CC=1)NC(C)C(O)C1=CC=C(O)C=C1,3.2430380486862944,Isoxsuprine
CC(COCC(C)OC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1,3874.0,4.0,2.0,0.0,342.3910000000001,20.0,5.0,CC(COCC(C)OC(=O)C1=CC=CC=C1)OC(=O)C1=CC=CC=C1,3.588159616383092,Di(propylene glycol) dibenzoate
CC(COCC(C)OC(=O)C=C)OC(=O)C=C,4233.5,4.0,1.0,0.0,242.27099999999996,12.0,5.0,CC(COCC(C)OC(=O)C=C)OC(=O)C=C,3.6266995641076734,Dipropylene glycol diacrylate
CC(COCCCN)COCCN,2885.3,4.0,1.0,0.0,190.287,9.0,2.0,CC(COCCCN)COCCN,3.4601909757485787,Polyoxypropylenediamine
CC(CON=C(CCC)C1C(=O)CC(CC1=O)C1CSCCC1)OC1C=CC(Cl)=CC=1,7500.0,4.0,0.0,1.0,466.04300000000035,24.0,4.0,CC(CON=C(CCC)C1C(=O)CC(CC1=O)C1CSCCC1)OC1C=CC(Cl)=CC=1,3.8750612633917,Profoxydim
CC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O,1027.0,4.0,2.0,0.0,255.139,5.0,9.0,CC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O,3.0115704435972783,Trimethylolethane trinitrate
CC(CO[N+]([O-])=O)O[N+]([O-])=O,250.0,2.0,2.0,0.0,166.08899999999997,3.0,6.0,CC(CO[N+]([O-])=O)O[N+]([O-])=O,2.3979400086720375,"1,2-Propanediol, dinitrate"
CC(CS)C(=O)N1CCCC1C(O)=O,4245.0,4.0,2.0,0.0,217.28999999999996,9.0,3.0,CC(CS)C(=O)N1CCCC1C(O)=O,3.6278776945799716,Captopril
CC(CSP(=O)(OCC)OCC)(SCC)SCC,15.0,4.0,1.0,1.0,332.4930000000001,11.0,3.0,CC(CSP(=O)(OCC)OCC)(SCC)SCC,1.1760912590556813,ENT 27152
CC(CSP(=S)(OCC(C)C)OCC(C)C)C(O)=O,3500.0,4.0,1.0,0.0,328.43600000000004,12.0,4.0,CC(CSP(=S)(OCC(C)C)OCC(C)C)C(O)=O,3.5440680443502757,CERAPP_49957
CC(C[N+](C)(C)C)OC(C)=O,750.0,4.0,1.0,0.0,160.237,8.0,2.0,CC(C[N+](C)(C)C)OC(C)=O,2.8750612633917,Methacholine
CC(C[N+](C)(C)C)OC(N)=O,1500.0,4.0,2.0,0.0,161.22499999999997,7.0,2.0,CC(C[N+](C)(C)C)OC(N)=O,3.1760912590556813,Bethanechol parent
CC(Cl)(CCl)C=O,1620.0,1.0,2.0,0.0,140.997,4.0,1.0,CC(Cl)(CCl)C=O,3.2095150145426308,
CC(Cl)(Cl)C(=O)OCCOC1=CC(Cl)=C(Cl)C=C1Cl,1000.0,4.0,1.0,0.0,366.455,11.0,3.0,CC(Cl)(Cl)C(=O)OCCOC1=CC(Cl)=C(Cl)C=C1Cl,3.0,Erbon
CC(Cl)(Cl)C(O)=O,5604.0,1.0,2.0,0.0,142.969,3.0,2.0,CC(Cl)(Cl)C(O)=O,3.748498126613737,Dalapon-sodium
CC(Cl)(Cl)CCl,1140.0,1.0,2.0,0.0,147.43200000000002,3.0,0.0,CC(Cl)(Cl)CCl,3.0569048513364727,"Propane, 1,2,2-trichloro-"
CC(Cl)(Cl)Cl,10001.0,1.0,2.0,0.0,133.405,2.0,0.0,CC(Cl)(Cl)Cl,4.000043427276863,"1,1,1-Trichloroethane"
CC(Cl)(Cl)[N+]([O-])=O,410.0,1.0,2.0,0.0,143.957,2.0,2.0,CC(Cl)(Cl)[N+]([O-])=O,2.6127838567197355,"1,1-Dichloro-1-nitroethane"
CC(Cl)=CCl,3500.0,1.0,2.0,0.0,110.971,3.0,0.0,CC(Cl)=CCl,3.5440680443502757,"1,2-Dichloropropene"
CC(Cl)C(Cl)Cl,1230.0,1.0,2.0,0.0,147.43200000000002,3.0,0.0,CC(Cl)C(Cl)Cl,3.089905111439398,"1,1,2-Trichloropropane"
CC(Cl)C(NC(=O)C1CC(CCC)CN1C)C1OC(SC)C(O)C(O)C1O,2406.0,4.0,1.0,0.0,424.99100000000016,18.0,5.0,CC(Cl)C(NC(=O)C1CC(CCC)CN1C)C1OC(SC)C(O)C(O)C1O,3.381295623003826,Clindamycin hydrochloride
CC(Cl)C(NC(=O)C1CC(CCC)CN1C)C1OC(SC)C(OP(O)(O)=O)C(O)C1O,1832.0,3.0,1.0,1.0,504.9700000000002,18.0,8.0,CC(Cl)C(NC(=O)C1CC(CCC)CN1C)C1OC(SC)C(OP(O)(O)=O)C(O)C1O,3.2629254693318317,Clindamycin phosphate
CC(Cl)C(O)=O,800.0,1.0,2.0,0.0,108.524,3.0,2.0,CC(Cl)C(O)=O,2.9030899869919438,2-Chloropropanoic acid
CC(Cl)CCl,2073.0,1.0,2.0,0.0,112.987,3.0,0.0,CC(Cl)CCl,3.3165993020938607,"1,2-Dichloropropane"
CC(Cl)CO,209.0,1.0,2.0,0.0,94.541,3.0,1.0,CC(Cl)CO,2.3201462861110542,2-Chloropropan-1-ol
CC(Cl)COP(=O)(OCC(C)Cl)OCC(C)Cl,1017.0,4.0,1.0,0.0,327.572,9.0,4.0,CC(Cl)COP(=O)(OCC(C)Cl)OCC(C)Cl,3.0073209529227447,Tris(2-chloropropyl) phosphate
CC(Cl)Cl,5741.0,1.0,2.0,0.0,98.96,2.0,0.0,CC(Cl)Cl,3.7589875468676195,"1,1-Dichloroethane"
CC(F)(Cl)Cl,7500.0,1.0,2.0,0.0,116.95,2.0,0.0,CC(F)(Cl)Cl,3.8750612633917,"1,1-Dichloro-1-fluoroethane"
CC(F)(F)C(F)(F)C(F)(F)C(O)(F)F,1110.0,2.0,2.0,0.0,232.06999999999996,5.0,1.0,CC(F)(F)C(F)(F)C(F)(F)C(O)(F)F,3.0453229787866576,
CC(N)(CC1C=C(O)C(O)=CC=1)C(O)=O,7500.0,4.0,2.0,0.0,211.217,10.0,4.0,CC(N)(CC1C=C(O)C(O)=CC=1)C(O)=O,3.8750612633917,Methyldopa
CC(N)(CO)CO,10001.0,0.0,2.0,0.0,105.137,4.0,2.0,CC(N)(CO)CO,4.000043427276863,"1,3-Propanediol, 2-amino-2-methyl-"
CC(N)=O,7000.0,0.0,2.0,0.0,59.068,2.0,1.0,CC(N)=O,3.845098040014257,Acetamide
CC(N)=S,301.0,1.0,2.0,0.0,75.136,2.0,0.0,CC(N)=S,2.4785664955938436,Thioacetamide
CC(N)=[Se],10.0,0.0,2.0,0.0,122.029,2.0,0.0,CC(N)=[Se],1.0,Ethaneselenoamide
CC(N)C(O)C1=CC(O)=CC=C1,240.0,4.0,2.0,0.0,167.20799999999997,9.0,2.0,CC(N)C(O)C1=CC(O)=CC=C1,2.380211241711606,Metaraminol
CC(N)C(O)C1C=CC=CC=1,1490.0,3.0,2.0,0.0,151.20899999999995,9.0,1.0,CC(N)C(O)C1C=CC=CC=1,3.173186268412274,Phenylpropanolamine
CC(N)C12CC3CC(C1)CC(C2)C3,640.0,4.0,2.0,0.0,179.30699999999996,12.0,0.0,CC(N)C12CC3CC(C1)CC(C2)C3,2.806179973983887,Rimantadine
CC(N)C1C=CC=CC=1,1150.0,2.0,2.0,0.0,121.18299999999996,8.0,0.0,CC(N)C1C=CC=CC=1,3.060697840353612,CERAPP_28286
CC(N)CC(C)(C)N,431.0,2.0,2.0,0.0,116.208,6.0,0.0,CC(N)CC(C)(C)N,2.6344772701607315,
CC(N)CC1C=CC=CC=1,30.0,3.0,2.0,0.0,135.20999999999998,9.0,0.0,CC(N)CC1C=CC=CC=1,1.4771212547196624,Amphetamine
CC(N)CN,1765.0,0.0,2.0,0.0,74.127,3.0,0.0,CC(N)CN,3.2467447097238415,"1,2-Diaminopropane"
CC(N/C(/NC1C=CN=CC=1)=NC#N)C(C)(C)C,210.0,4.0,2.0,0.0,245.33,13.0,0.0,CC(N/C(/NC1C=CN=CC=1)=NC#N)C(C)(C)C,2.322219294733919,Pinacidil
CC(N=NC(=O)C1C=CN=CC=1)C1=CC=CO1,110.0,4.0,2.0,0.0,229.239,12.0,2.0,CC(N=NC(=O)C1C=CN=CC=1)C1=CC=CO1,2.041392685158225,Furonazide
CC(N=NC(=O)NC1C=C(F)C=C(F)C=1)C1=NC=CC=C1C(O)=O,4000.0,4.0,2.0,0.0,334.28200000000004,15.0,3.0,CC(N=NC(=O)NC1C=C(F)C=C(F)C=1)C1=NC=CC=C1C(O)=O,3.6020599913279625,Diflufenzopyr-sodium
CC(N=NC(=O)NC1C=C(F)C=C(F)C=1)C1N=CC=CC=1C(O)=O,4425.0,4.0,2.0,0.0,334.28200000000004,15.0,3.0,CC(N=NC(=O)NC1C=C(F)C=C(F)C=1)C1N=CC=CC=1C(O)=O,3.6459132750338443,Diflufenzopyr
CC(N=NC(C)C1NCCN=1)C1NCCN=1,3000.0,4.0,2.0,0.0,222.296,10.0,0.0,CC(N=NC(C)C1NCCN=1)C1NCCN=1,3.4771212547196626,"2,2'-(diazene-1,2-diyldiethane-1,1-diyl)bis-4,5-dihydro-1H-imidazole dihydrochloride"
CC(N=NCCC1CCCCC1)C(O)=O,520.0,4.0,2.0,0.0,212.29299999999995,11.0,2.0,CC(N=NCCC1CCCCC1)C(O)=O,2.716003343634799,
CC(N=O)C(=O)C1C=CC=CC=1,4240.0,4.0,2.0,0.0,163.176,9.0,2.0,CC(N=O)C(=O)C1C=CC=CC=1,3.6273658565927325,"1-Phenyl-1,2-propanedione-2-oxime"
CC(N=O)C(C)(O)C#CC1C=CC=CC=1,3125.0,4.0,2.0,0.0,203.241,12.0,2.0,CC(N=O)C(C)(O)C#CC1C=CC=CC=1,3.494850021680094,
CC(NC(=O)C(NC(=O)OC(C)C)C(C)C)C1=NC2C=CC(F)=CC=2S1,4501.0,4.0,0.0,0.0,381.4730000000001,18.0,3.0,CC(NC(=O)C(NC(=O)OC(C)C)C(C)C)C1=NC2C=CC(F)=CC=2S1,3.653309012938479,Benthiavalicarb-isopropyl
CC(NC(=O)CC(O)C(CC(C)C)NC(=O)C(NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C)C(=O)NC(CC(C)C)C(O)CC(O)=O,3500.0,1.0,1.0,1.0,685.9040000000002,34.0,9.0,CC(NC(=O)CC(O)C(CC(C)C)NC(=O)C(NC(=O)C(NC(=O)CC(C)C)C(C)C)C(C)C)C(=O)NC(CC(C)C)C(O)CC(O)=O,3.5440680443502757,Pepstatin
CC(NC(C)(C)C)C(=O)C1C=C(Cl)C=CC=1,541.0,4.0,2.0,0.0,239.746,13.0,1.0,CC(NC(C)(C)C)C(=O)C1C=C(Cl)C=CC=1,2.7331972651065692,Bupropion
CC(NC(CCC)C(=O)OCC)C(=O)N1C2CCCCC2CC1C(O)=O,3000.0,4.0,1.0,0.0,368.47400000000016,19.0,5.0,CC(NC(CCC)C(=O)OCC)C(=O)N1C2CCCCC2CC1C(O)=O,3.4771212547196626,Perindopril
CC(NC(CCC1C=CC=CC=1)C(=O)OCC)C(=O)N(CC(O)=O)C1CC2=CC=CC=C2C1,8260.0,4.0,1.0,0.0,452.55100000000033,26.0,5.0,CC(NC(CCC1C=CC=CC=1)C(=O)OCC)C(=O)N(CC(O)=O)C1CC2=CC=CC=C2C1,3.9169800473203824,Delapril hydrochloride
CC(NC(CCC1C=CC=CC=1)C(=O)OCC)C(=O)N1C2CCCC2CC1C(O)=O,10000.0,4.0,1.0,0.0,416.5180000000003,23.0,5.0,CC(NC(CCC1C=CC=CC=1)C(=O)OCC)C(=O)N1C2CCCC2CC1C(O)=O,4.0,Ramipril
CC(NC(CCC1C=CC=CC=1)C(=O)OCC)C(=O)N1C2CCCCC2CC1C(O)=O,7500.0,4.0,1.0,0.0,430.5450000000003,24.0,5.0,CC(NC(CCC1C=CC=CC=1)C(=O)OCC)C(=O)N1C2CCCCC2CC1C(O)=O,3.8750612633917,Trandolapril
CC(NC(CCC1C=CC=CC=1)C(=O)OCC)C(=O)N1CC2(CC1C(O)=O)SCCS2,2500.0,4.0,1.0,0.0,466.62500000000034,22.0,5.0,CC(NC(CCC1C=CC=CC=1)C(=O)OCC)C(=O)N1CC2(CC1C(O)=O)SCCS2,3.3979400086720375,Spirapril hydrochloride
CC(NC(CCC1C=CC=CC=1)C(=O)OCC)C(=O)N1CC2C=C(OC)C(=CC=2CC1C(O)=O)OC,4015.0,2.0,1.0,0.0,498.5760000000004,27.0,7.0,CC(NC(CCC1C=CC=CC=1)C(=O)OCC)C(=O)N1CC2C=C(OC)C(=CC=2CC1C(O)=O)OC,3.6036855496146996,Moexipril hydrochloride
CC(NC(CCC1C=CC=CC=1)C(=O)OCC)C(=O)N1CC2C=CC=CC=2CC1C(O)=O,3541.0,4.0,1.0,0.0,438.5240000000003,25.0,5.0,CC(NC(CCC1C=CC=CC=1)C(=O)OCC)C(=O)N1CC2C=CC=CC=2CC1C(O)=O,3.5491259267581112,Quinapril
CC(NC(CCC1C=CC=CC=1)C(=O)OCC)C(=O)N1CCCC1C(O)=O,2750.0,4.0,1.0,0.0,376.45300000000026,20.0,5.0,CC(NC(CCC1C=CC=CC=1)C(=O)OCC)C(=O)N1CCCC1C(O)=O,3.439332693830263,Enalapril
CC(NC)C(O)C1C=CC=CC=1,685.0,4.0,2.0,0.0,165.236,10.0,1.0,CC(NC)C(O)C1C=CC=CC=1,2.8356905714924254,Ephedrine hydrochloride
CC(NCC=C(C1=CSC=C1)C1=CSC=C1)C(O)C1C=CC=CC=1,6600.0,4.0,0.0,0.0,355.528,20.0,1.0,CC(NCC=C(C1=CSC=C1)C1=CSC=C1)C(O)C1C=CC=CC=1,3.8195439355418688,Tinofedrine
CC(NCCC(=O)C1=CC(=CC=C1)OC)C(O)C1C=CC=CC=1,500.0,4.0,2.0,0.0,313.397,19.0,3.0,CC(NCCC(=O)C1=CC(=CC=C1)OC)C(O)C1C=CC=CC=1,2.6989700043360187,l-Oxyfedrine hydrochloride
CC(NCCC1C=CC(O)=CC=1)C(O)C1C=CC(O)=CC=1,1840.0,4.0,2.0,0.0,287.35900000000004,17.0,3.0,CC(NCCC1C=CC(O)=CC=1)C(O)C1C=CC(O)=CC=1,3.2648178230095364,Ritodrine hydrochloride
CC(NNC(=O)C1C=CC=CC=1)C1C=CC=CC=1,675.0,4.0,2.0,0.0,240.306,15.0,1.0,CC(NNC(=O)C1C=CC=CC=1)C1C=CC=CC=1,2.829303772831025,Benmoxin
CC(O)(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1,500.0,4.0,2.0,0.0,267.155,14.0,1.0,CC(O)(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1,2.6989700043360187,Chlorfenethol
CC(O)(CC(C)C)C#CC(C)(O)CC(C)C,1250.0,4.0,1.0,0.0,226.35999999999996,14.0,2.0,CC(O)(CC(C)C)C#CC(C)(O)CC(C)C,3.0969100130080562,"2,4,7,9-Tetramethyl-5-decyne-4,7-diol"
CC(O)(CC(C)C)CCC(C)(O)CC(C)C,3500.0,4.0,1.0,0.0,230.39199999999997,14.0,2.0,CC(O)(CC(C)C)CCC(C)(O)CC(C)C,3.5440680443502757,"2,4,7,9-tetramethyldecane-4,7-diol"
CC(O)(CC)C#CC(C)(O)CC,1400.0,4.0,1.0,0.0,170.25199999999995,10.0,2.0,CC(O)(CC)C#CC(C)(O)CC,3.146128035678238,"3,6-Dimethyl-4-octyne-3,6-diol"
CC(O)(CC)CC,710.0,2.0,2.0,0.0,102.17699999999998,6.0,1.0,CC(O)(CC)CC,2.8512583487190755,3-Methyl-3-pentanol
CC(O)(CCC(C)C)C#CC(C)(O)CCC(C)C,10001.0,4.0,2.0,0.0,254.41399999999996,16.0,2.0,CC(O)(CCC(C)C)C#CC(C)(O)CCC(C)C,4.000043427276863,"2,5,8,11-Tetramethyldodec-6-yne-5,8-diol"
CC(O)(P(O)(O)=O)P(O)(O)=O,2473.8333333333335,1.0,1.0,0.0,206.027,2.0,7.0,CC(O)(P(O)(O)=O)P(O)(O)=O,3.393370437066803,Etidronic acid monohydrate
CC(O)=O,3342.5,1.0,2.0,0.0,60.05200000000001,2.0,2.0,CC(O)=O,3.524071415934022,"Acetic acid, cesium salt (1:1)"
CC(O)=S,237.5,1.0,2.0,0.0,76.12,2.0,1.0,CC(O)=S,2.3756636139608855,Ethanethioic acid
CC(O)C#C,48.0,1.0,2.0,0.0,70.091,4.0,1.0,CC(O)C#C,1.6812412373755872,(+/-)-3-Butyn-2-ol
CC(O)C#CC(C)O,380.0,1.0,2.0,0.0,114.14399999999998,6.0,2.0,CC(O)C#CC(C)O,2.57978359661681,"Hex-3-yne-2,5-diol"
CC(O)C#N,54.0,1.0,2.0,0.0,71.07900000000001,3.0,1.0,CC(O)C#N,1.7323937598229686,Lactonitrile
CC(O)C(=O)C(O)C(O)C(O)OC1C=CC=C2C(C3C4=CC(=CC(O)=C4C(=O)C4C(=CC=CC=43)OC(O)C(=O)C(O)C(O)C(C)O)C(O)=O)C3=CC(=CC(O)=C3C(=O)C=12)C(O)=O,10000.0,0.0,1.0,3.0,862.7460000000005,42.0,20.0,CC(O)C(=O)C(O)C(O)C(O)OC1C=CC=C2C(C3C4=CC(=CC(O)=C4C(=O)C4C(=CC=CC=43)OC(O)C(=O)C(O)C(O)C(C)O)C(O)=O)C3=CC(=CC(O)=C3C(=O)C=12)C(O)=O,4.0,
CC(O)C(=O)N(C)C,3500.0,0.0,2.0,0.0,117.148,5.0,2.0,CC(O)C(=O)N(C)C,3.5440680443502757,"Propanamide, 2-hydroxy-N,N-dimethyl-"
CC(O)C(=O)NCCO,7500.0,1.0,2.0,0.0,133.14700000000002,5.0,3.0,CC(O)C(=O)NCCO,3.8750612633917,CERAPP_31801
CC(O)C(=O)OCC(CCCC)CC,2751.0,4.0,1.0,0.0,202.294,11.0,3.0,CC(O)C(=O)OCC(CCCC)CC,3.4394905903896835,"Propanoic acid, 2-hydroxy-, 2-ethylhexyl ester, (2S)-"
CC(O)C(C)(C)C=CC1CC=C(C)C1(C)C,7500.0,4.0,0.0,0.0,222.372,15.0,1.0,CC(O)C(C)(C)C=CC1CC=C(C)C1(C)C,3.8750612633917,"3,3-Dimethyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pent-4-en-2-ol"
CC(O)C(C)=O,7500.0,1.0,2.0,0.0,88.106,4.0,2.0,CC(O)C(C)=O,3.8750612633917,Acetoin
CC(O)C(C)O,6251.0,1.0,2.0,0.0,90.122,4.0,2.0,CC(O)C(C)O,3.7959494989028033,"2,3-Butanediol"
CC(O)C(N)C(O)=O,3500.0,0.0,2.0,0.0,119.12,4.0,3.0,CC(O)C(N)C(O)=O,3.5440680443502757,L-Threonine
CC(O)C(NC(=O)C1CC(CCC)CN1C)C1OC(SC)C(O)C(O)C1O,6996.0,3.0,1.0,0.0,406.5450000000002,18.0,6.0,CC(O)C(NC(=O)C1CC(CCC)CN1C)C1OC(SC)C(O)C(O)C1O,3.8448498008066387,Lincomycin hydrochloride
CC(O)C(O)=O,6050.5,0.0,2.0,0.0,90.078,3.0,3.0,CC(O)C(O)=O,3.781791265275348,"Propanoic acid, 2-hydroxy-, compd. with 2-aminoethanol (1:1)"
CC(O)C(O)C1CNC2=NC(N)=NC(=O)C2N1,1000.0,3.0,2.0,0.0,241.251,9.0,3.0,CC(O)C(O)C1CNC2=NC(N)=NC(=O)C2N1,3.0,(6R)-Tetrahydrobiopterin dihydrochloride
CC(O)C1C2CC(SCCNC=N)=C(C(O)=O)N2C1=O,7500.0,4.0,2.0,0.0,299.35200000000003,12.0,4.0,CC(O)C1C2CC(SCCNC=N)=C(C(O)=O)N2C1=O,3.8750612633917,Imipenem monohydrate
CC(O)C1C=CC=C(N)C=1,3100.0,3.0,2.0,0.0,137.182,8.0,1.0,CC(O)C1C=CC=C(N)C=1,3.4913616938342726,
CC(O)C1C=CC=CC=1,437.0,1.0,2.0,0.0,122.16699999999996,8.0,1.0,CC(O)C1C=CC=CC=1,2.640481436970422,alpha-Methylbenzyl alcohol
CC(O)C1CCCCC1,2100.0,2.0,2.0,0.0,128.215,8.0,1.0,CC(O)C1CCCCC1,3.322219294733919,1-Cyclohexylethanol
CC(O)CC(=O)N1CCN(CC1)C1=NC2C=C(OC)C(=CC=2C(N)=N1)OC,7500.0,4.0,1.0,0.0,375.42900000000014,18.0,4.0,CC(O)CC(=O)N1CCN(CC1)C1=NC2C=C(OC)C(=CC=2C(N)=N1)OC,3.8750612633917,
CC(O)CC(C)(C)C1C=CC=CC=1,3500.0,4.0,2.0,0.0,178.275,12.0,1.0,CC(O)CC(C)(C)C1C=CC=CC=1,3.5440680443502757,"Benzenepropanol, .alpha.,.gamma.,.gamma.-trimethyl-"
CC(O)CC(C)(C)O,4568.0,2.0,2.0,0.0,118.176,6.0,2.0,CC(O)CC(C)(C)O,3.6597260952377915,"2-Methyl-2,4-pentanediol"
CC(O)CC(C)O,6860.0,1.0,2.0,0.0,104.149,5.0,2.0,CC(O)CC(C)O,3.8363241157067516,"2,4-Pentanediol"
CC(O)CC=O,2180.0,1.0,2.0,0.0,88.106,4.0,2.0,CC(O)CC=O,3.3384564936046046,3-Hydroxybutanal
CC(O)CCC(C)O,3500.0,2.0,2.0,0.0,118.176,6.0,2.0,CC(O)CCC(C)O,3.5440680443502757,CERAPP_57010
CC(O)CCC1CCCCC1,3500.0,3.0,2.0,0.0,156.26899999999998,10.0,1.0,CC(O)CCC1CCCCC1,3.5440680443502757,"Cyclohexanepropanol, .alpha.-methyl-"
CC(O)CCO,10001.0,1.0,2.0,0.0,90.122,4.0,2.0,CC(O)CCO,4.000043427276863,"1,3-Butanediol"
CC(O)CCl,200.0,1.0,2.0,0.0,94.541,3.0,1.0,CC(O)CCl,2.3010299956639813,1-Chloro-2-propanol
CC(O)CF,3260.0,1.0,2.0,0.0,78.086,3.0,1.0,CC(O)CF,3.513217600067939,
CC(O)CN,2900.0,0.0,2.0,0.0,75.111,3.0,1.0,CC(O)CN,3.462397997898956,"2-Propanol, 1-amino-, hydrochloride (1:1)"
CC(O)CN(C)C,1549.0,2.0,2.0,0.0,103.165,5.0,1.0,CC(O)CN(C)C,3.190051417759206,Dimepranol
CC(O)CN(C)C1=CC=C(NN)N=N1,1230.0,3.0,1.0,0.0,197.242,8.0,1.0,CC(O)CN(C)C1=CC=C(NN)N=N1,3.089905111439398,Pildralazine
CC(O)CN(CC(C)O)C(=O)CCCCC(=O)N(CC(C)O)CC(C)O,2751.0,4.0,1.0,0.0,376.4940000000001,18.0,6.0,CC(O)CN(CC(C)O)C(=O)CCCCC(=O)N(CC(C)O)CC(C)O,3.4394905903896835,"Hexanediamide, N1,N1,N6,N6-tetrakis(2-hydroxypropyl)-"
CC(O)CN(CC(C)O)C1=NC(NC2C=C(C(C=CC3=CC=C(C=C3S(O)(=O)=O)NC3=NC(NC4C=CC(=CC=4)S(O)(=O)=O)=NC(=N3)N(CC(C)O)CC(C)O)=CC=2)S(O)(=O)=O)=NC(NC2C=CC(=CC=2)S(O)(=O)=O)=N1,10001.0,1.0,1.0,3.0,1133.236,44.0,16.0,CC(O)CN(CC(C)O)C1=NC(NC2C=C(C(C=CC3=CC=C(C=C3S(O)(=O)=O)NC3=NC(NC4C=CC(=CC=4)S(O)(=O)=O)=NC(=N3)N(CC(C)O)CC(C)O)=CC=2)S(O)(=O)=O)=NC(NC2C=CC(=CC=2)S(O)(=O)=O)=N1,4.000043427276863,"Tetrasodium 4,4'-bis(4-(4-sulfophenylamino)-6-(bis(2-hydroxypropyl)amino)-s-triazin-2-yl)amino-2,2-stilbenedisulfonate"
CC(O)CN(CC(C)O)CC(C)O,5362.0,3.0,1.0,0.0,191.271,9.0,3.0,CC(O)CN(CC(C)O)CC(C)O,3.7293268096468606,Triisopropanolamine
CC(O)CN(CC(C)O)CCN(CC(C)O)CC(C)O,2890.0,3.0,2.0,0.0,292.42,14.0,4.0,CC(O)CN(CC(C)O)CCN(CC(C)O)CC(C)O,3.4608978427565478,"N,N,N',N'-Tetrakis(2-Hydroxypropyl)ethylenediamine"
CC(O)CN(CC)C1=CC=C(NNC(=O)OCC)N=N1,2060.0,4.0,2.0,0.0,283.332,12.0,3.0,CC(O)CN(CC)C1=CC=C(NNC(=O)OCC)N=N1,3.3138672203691533,Cadralazine
CC(O)CN(CCCN(C)C)CCCN(C)C,1344.0,4.0,1.0,0.0,245.41099999999992,13.0,1.0,CC(O)CN(CCCN(C)C)CCCN(C)C,3.1283992687178066,1-{Bis[3-(dimethylamino)propyl]amino}propan-2-ol
CC(O)CN(CCO)CCO,3500.0,3.0,1.0,0.0,163.21699999999998,7.0,3.0,CC(O)CN(CCO)CCO,3.5440680443502757,CERAPP_32681
CC(O)CN1C=NC2=C1C(=O)N(C)C(=O)N2C,460.0,3.0,2.0,0.0,238.247,10.0,3.0,CC(O)CN1C=NC2=C1C(=O)N(C)C(=O)N2C,2.662757831681574,Proxyphylline
CC(O)CNCC(C)O,5783.0,1.0,1.0,0.0,133.191,6.0,2.0,CC(O)CNCC(C)O,3.7621531923035945,Diisopropanolamine
CC(O)CNS(=O)(=O)C1C=CC=CC=1,3500.0,4.0,2.0,0.0,215.274,9.0,3.0,CC(O)CNS(=O)(=O)C1C=CC=CC=1,3.5440680443502757,CERAPP_39491
CC(O)CO,10001.0,0.0,2.0,0.0,76.095,3.0,2.0,CC(O)CO,4.000043427276863,"1,2-Propylene glycol"
CC(O)COC(=O)C1C(=C(Br)C(Br)=C(Br)C=1Br)C(=O)OCCOCCO,3500.0,3.0,1.0,1.0,627.9019999999999,15.0,7.0,CC(O)COC(=O)C1C(=C(Br)C(Br)=C(Br)C=1Br)C(=O)OCCOCCO,3.5440680443502757,CERAPP_37016
CC(O)COC(=O)C=C,250.0,1.0,2.0,0.0,130.143,6.0,3.0,CC(O)COC(=O)C=C,2.3979400086720375,2-Hydroxypropyl acrylate
CC(O)COC(=O)CBr,664.0,2.0,2.0,0.0,197.028,5.0,3.0,CC(O)COC(=O)CBr,2.8221680793680175,2-Hydroxypropyl bromoacetate
CC(O)COC(C)(C)C,3771.0,2.0,2.0,0.0,132.203,7.0,2.0,CC(O)COC(C)(C)C,3.5764565324056203,1-tert-Butoxy-2-propanol
CC(O)COC(C)=O,10001.0,1.0,2.0,0.0,118.132,5.0,3.0,CC(O)COC(C)=O,4.000043427276863,"Propane-1,2-diol, monoacetate"
CC(O)COC1C(OCC(C)O)C(O)OC(COCC(C)O)C1O,10001.0,3.0,1.0,0.0,354.39600000000013,15.0,9.0,CC(O)COC1C(OCC(C)O)C(O)OC(COCC(C)O)C1O,4.000043427276863,Hydroxypropyl cellulose
CC(O)COC1C2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(OC6OC(CO)C(OC7OC(CO)C(O2)C(O)C7O)C(O)C6OCC(C)O)C(O)C5O)C(OCC(C)O)C4O)C(OCC(C)O)C3O)C1O,3500.0,0.0,1.0,3.0,1205.1660000000008,48.0,34.0,CC(O)COC1C2OC(CO)C(OC3OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(OC6OC(CO)C(OC7OC(CO)C(O2)C(O)C7O)C(O)C6OCC(C)O)C(O)C5O)C(OCC(C)O)C4O)C(OCC(C)O)C3O)C1O,3.5440680443502757,Hydroxypropyl-alpha-cyclodextrin
CC(O)COC1C=CC=CC=1,3382.0,3.0,2.0,0.0,152.19299999999998,9.0,2.0,CC(O)COC1C=CC=CC=1,3.529173603261723,1-Phenoxy-2-propanol
CC(O)COCC(C)O,10001.0,2.0,1.0,0.0,134.175,6.0,3.0,CC(O)COCC(C)O,4.000043427276863,"1,1'-Oxybis-2-propanol"
CC(O)CSCCCCCCCCC(C)(C)C,7500.0,4.0,1.0,0.0,260.4869999999999,15.0,1.0,CC(O)CSCCCCCCCCC(C)(C)C,3.8750612633917,"2-Propanol, 1-(tert-dodecylthio)-"
CC(O)C[N+](C)(C)C,2000.0,2.0,2.0,0.0,118.2,6.0,1.0,CC(O)C[N+](C)(C)C,3.3010299956639813,"1-Propanaminium, 2-hydroxy-N,N,N-trimethyl-, formate (1:1)"
CC(O)S(O)(=O)=O,3402.0,0.0,2.0,0.0,126.13299999999998,2.0,4.0,CC(O)S(O)(=O)=O,3.5317343092765503,"Ethanesulfonic acid, 1-hydroxy-, monosodium salt"
CC(OC(=O)CC)C1C=CC=CC=1,5200.0,4.0,2.0,0.0,178.231,11.0,2.0,CC(OC(=O)CC)C1C=CC=CC=1,3.716003343634799,1-Phenylethyl propionate
CC(OC(=O)CCC)C1CCCCC1,8300.0,4.0,2.0,0.0,198.3059999999999,12.0,2.0,CC(OC(=O)CCC)C1CCCCC1,3.9190780923760737,1-Cyclohexylethyl butyrate
CC(OC(=O)COC(=O)CC)C1CC(C)(C)CCC1,2751.0,4.0,2.0,0.0,270.36899999999997,15.0,4.0,CC(OC(=O)COC(=O)CC)C1CC(C)(C)CCC1,3.4394905903896835,"Acetic acid, 2-(1-oxopropoxy)-, 1-(3,3-dimethylcyclohexyl)ethyl ester"
CC(OC(=O)OC1CCCCC1)OC(=O)C1C=CC=C2N=C(OCC)N(CC3C=CC(=CC=3)C3C=CC=CC=3C3NN=NN=3)C=12,3500.0,0.0,0.0,4.0,610.6710000000002,33.0,6.0,CC(OC(=O)OC1CCCCC1)OC(=O)C1C=CC=C2N=C(OCC)N(CC3C=CC(=CC=3)C3C=CC=CC=3C3NN=NN=3)C=12,3.5440680443502757,Candesartan cilexetil
CC(OC(=O)OCC)OC(=O)C1N2C(SC1(C)C)C(NC(=O)C(N)C1=CC=CC=C1)C2=O,10000.0,4.0,1.0,0.0,465.5280000000002,21.0,7.0,CC(OC(=O)OCC)OC(=O)C1N2C(SC1(C)C)C(NC(=O)C(N)C1=CC=CC=C1)C2=O,4.0,Bacampicillin
CC(OC(C)(C)COC(=O)C1CC1)C1CCCC(C)(C)C1,3500.0,4.0,1.0,0.0,296.451,18.0,3.0,CC(OC(C)(C)COC(=O)C1CC1)C1CCCC(C)(C)C1,3.5440680443502757,"Cyclopropanecarboxylic acid, 2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methylpropyl ester"
CC(OC(C)(C)COC(=O)CC)C1CCCC(C)(C)C1,2751.0,4.0,1.0,0.0,284.44,17.0,3.0,CC(OC(C)(C)COC(=O)CC)C1CCCC(C)(C)C1,3.4394905903896835,"1-Propanol, 2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methyl-, 1-propanoate"
CC(OC(C)=O)C(Cl)(Cl)Cl,900.0,3.0,2.0,0.0,205.468,5.0,2.0,CC(OC(C)=O)C(Cl)(Cl)Cl,2.9542425094393248,
CC(OC(C)=O)C1CCCCC1,8200.0,4.0,2.0,0.0,170.25199999999995,10.0,2.0,CC(OC(C)=O)C1CCCCC1,3.9138138523837167,1-Cyclohexylethyl acetate
CC(OC)(OC)OC,3500.0,2.0,2.0,0.0,120.14799999999998,5.0,3.0,CC(OC)(OC)OC,3.5440680443502757,"1,1,1-Trimethoxyethane"
CC(OC)OC,6500.0,1.0,2.0,0.0,90.122,4.0,2.0,CC(OC)OC,3.8129133566428557,"1,1-Dimethoxyethane"
CC(OC1=CC2=CC=CC=C2C=C1)/C(/O)=N/C1C=CC=CC=1,10001.0,4.0,2.0,0.0,291.34999999999997,19.0,2.0,CC(OC1=CC2=CC=CC=C2C=C1)/C(/O)=N/C1C=CC=CC=1,4.000043427276863,Naproanilide
CC(OC1C(Cl)=CC=CC=1Cl)C1NCCN=1,70.0,4.0,3.0,0.0,259.13599999999997,11.0,1.0,CC(OC1C(Cl)=CC=CC=1Cl)C1NCCN=1,1.845098040014257,Lofexidine
CC(OC1C=C(Cl)C(Cl)=CC=1Cl)C(O)=O,860.0,4.0,3.0,0.0,269.51099999999997,9.0,3.0,CC(OC1C=C(Cl)C(Cl)=CC=1Cl)C(O)=O,2.934498451243568,Fenoprop-potassium
CC(OC1C=CC(=CC=1)OC1=CC=C(Cl)C=C1Cl)C(O)=O,563.0,4.0,2.0,0.0,327.163,15.0,4.0,CC(OC1C=CC(=CC=1)OC1=CC=C(Cl)C=C1Cl)C(O)=O,2.7505083948513462,Diclofop
CC(OC1C=CC(=CC=1)OC1=NC2C=CC(Cl)=CC=2O1)C(O)=O,2090.0,4.0,2.0,0.0,333.72700000000003,16.0,5.0,CC(OC1C=CC(=CC=1)OC1=NC2C=CC(Cl)=CC=2O1)C(O)=O,3.3201462861110542,Fenoxaprop-P
CC(OC1C=CC(=CC=1)OC1=NC=C(C=C1Cl)C(F)(F)F)C(O)=O,300.0,4.0,1.0,0.0,361.703,15.0,4.0,CC(OC1C=CC(=CC=1)OC1=NC=C(C=C1Cl)C(F)(F)F)C(O)=O,2.4771212547196626,Haloxyfop
CC(OC1C=CC(=CC=1)OC1=NC=C(Cl)C=C1F)C(=O)OCC#C,2235.5,4.0,2.0,0.0,349.745,17.0,4.0,CC(OC1C=CC(=CC=1)OC1=NC=C(Cl)C=C1F)C(=O)OCC#C,3.3493746742040504,Clodinafop-propargyl
CC(OC1C=CC(Cl)=CC=1Cl)C(O)=O,689.0,4.0,2.0,0.0,235.06599999999997,9.0,3.0,CC(OC1C=CC(Cl)=CC=1Cl)C(O)=O,2.8382192219076257,Dichlorprop-P-dimethylammonium
CC(OC1C=CC=C(Cl)C=1)C(O)=O,750.0,4.0,2.0,0.0,200.621,9.0,3.0,CC(OC1C=CC=C(Cl)C=1)C(O)=O,2.8750612633917,Cloprop
CC(OC1C=CC=C2C=CC=CC2=1)C(=O)N(CC)CC,7500.0,4.0,2.0,0.0,271.36,17.0,2.0,CC(OC1C=CC=C2C=CC=CC2=1)C(=O)N(CC)CC,3.8750612633917,Napropamide
CC(OCC)C(C=NNC(N)=S)N=NC(N)=S,3200.0,4.0,2.0,0.0,276.391,8.0,1.0,CC(OCC)C(C=NNC(N)=S)N=NC(N)=S,3.505149978319906,
CC(OCC)OCC,4585.0,2.0,2.0,0.0,118.176,6.0,2.0,CC(OCC)OCC,3.66133934000604,Acetal
CC(OCCC)OCCC,7500.0,3.0,1.0,0.0,146.22999999999996,8.0,2.0,CC(OCCC)OCCC,3.8750612633917,"Propane, 1,1'-[ethylidenebis(oxy)]bis-"
CC(OCCCC)OCCCC,8790.0,4.0,1.0,0.0,174.2839999999999,10.0,2.0,CC(OCCCC)OCCCC,3.9439888750737717,"Acetaldehyde, dibutyl acetal"
CC(OP(=O)(OC)OC)=C(Cl)C(=O)N(CC)CC,12.7,4.0,2.0,0.0,299.69100000000003,10.0,5.0,CC(OP(=O)(OC)OC)=C(Cl)C(=O)N(CC)CC,1.1038037209559568,Phosphamidon
CC(OP(=O)(OCCCl)C(C)OP(=O)(CCCl)OCCCl)P(=O)(OCCCl)OCCCl,2740.0,2.0,0.0,2.0,610.5560000000002,14.0,9.0,CC(OP(=O)(OCCCl)C(C)OP(=O)(CCCl)OCCCl)P(=O)(OCCCl)OCCCl,3.437750562820388,CERAPP_31318
CC(OP(C)(=O)F)C(C)(C)C,0.4,4.0,2.0,0.0,182.175,7.0,2.0,CC(OP(C)(=O)F)C(C)(C)C,-0.3979400086720376,Pinacolyl methylphosphonofluoridate
CC(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[N+](CC)(CC)CC,2751.0,4.0,0.0,0.0,428.337,12.0,3.0,CC(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[N+](CC)(CC)CC,3.4394905903896835,"N,N,N,-Triethylethanaminium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate"
CC(S)C(=O)NCC(O)=O,1300.0,1.0,2.0,0.0,163.198,5.0,3.0,CC(S)C(=O)NCC(O)=O,3.113943352306837,Tiopronin
CC(S)C(O)=O,730.0,1.0,2.0,0.0,106.146,3.0,2.0,CC(S)C(O)=O,2.863322860120456,CERAPP_26380
CC(SC(=O)C1=CC=CS1)C(=O)NCC(O)=O,2500.0,4.0,3.0,0.0,273.335,10.0,4.0,CC(SC(=O)C1=CC=CS1)C(=O)NCC(O)=O,3.3979400086720375,Stepronin
CC/C(/O)=N/P(=O)(OC)SCC=C,125.0,4.0,1.0,0.0,223.23399999999995,7.0,3.0,CC/C(/O)=N/P(=O)(OC)SCC=C,2.0969100130080562,
CC/N=C(S)/OCC(C)C,2324.0,4.0,2.0,0.0,161.26999999999998,7.0,1.0,CC/N=C(S)/OCC(C)C,3.366236123718293,"Carbamothioic acid, ethyl-, O-(2-methylpropyl) ester"
CC1(C)/C(=C/C=C/C2=[N+](C)C3C=CC=CC=3C2(C)C)/N(C)C2=CC=CC=C12,196.0,4.0,0.0,1.0,357.5210000000001,25.0,0.0,CC1(C)/C(=C/C=C/C2=[N+](C)C3C=CC=CC=3C2(C)C)/N(C)C2=CC=CC=C12,2.292256071356476,"3H-Indolium, 2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)-1-propenyl]-1,3,3-trimethyl-, acetate"
CC1(C)C(=C)C2(Cl)C(Cl)(Cl)C1(Cl)C(Cl)(Cl)C2(Cl)Cl,40.0,3.0,1.0,1.0,411.798,10.0,0.0,CC1(C)C(=C)C2(Cl)C(Cl)(Cl)C1(Cl)C(Cl)(Cl)C2(Cl)Cl,1.6020599913279623,
CC1(C)C(=O)N(Br)C(=O)N1Br,442.0,3.0,3.0,0.0,285.923,5.0,2.0,CC1(C)C(=O)N(Br)C(=O)N1Br,2.645422269349092,"1,3-Dibromo-5,5-dimethylhydantoin"
CC1(C)C(=O)N(Br)C(=O)N1Cl,528.0,3.0,2.0,0.0,241.472,5.0,2.0,CC1(C)C(=O)N(Br)C(=O)N1Cl,2.722633922533812,"3-Bromo-1-chloro-5,5-dimethylhydantoin"
CC1(C)C(=O)N(CCO)C(=O)N1CCO,7500.0,3.0,1.0,0.0,216.237,9.0,4.0,CC1(C)C(=O)N(CCO)C(=O)N1CCO,3.8750612633917,"2,4-Imidazolidinedione, 1,3-bis(2-hydroxyethyl)-5,5-dimethyl-"
CC1(C)C(=O)N(CO)C(=O)N1CO,3281.0,3.0,2.0,0.0,188.183,7.0,4.0,CC1(C)C(=O)N(CO)C(=O)N1CO,3.5160062303860475,"1,3-Dimethylol-5,5-dimethylhydantoin"
CC1(C)C(=O)N(Cl)C(=O)N1Br,1390.0,3.0,2.0,0.0,241.472,5.0,2.0,CC1(C)C(=O)N(Cl)C(=O)N1Br,3.143014800254095,"Bromo-3-chloro-5,5-dimethylhydantoin"
CC1(C)C(=O)N(Cl)C(=O)N1Cl,542.0,2.0,2.0,0.0,197.021,5.0,2.0,CC1(C)C(=O)N(Cl)C(=O)N1Cl,2.733999286538387,"1,3-Dichloro-5,5-dimethylhydantoin"
CC1(C)C(C(=O)OC(C#N)C2C=C(C=CC=2)OC2C=CC=CC=2)C1(C)C,18.0,4.0,1.0,1.0,349.43000000000006,22.0,3.0,CC1(C)C(C(=O)OC(C#N)C2C=C(C=CC=2)OC2C=CC=CC=2)C1(C)C,1.255272505103306,Fenpropathrin
CC1(C)C(C(=O)OCC2C=C(CC3C=CC=CC=3)OC=2)C1(C)C,141.0,4.0,1.0,0.0,312.40900000000005,20.0,3.0,CC1(C)C(C(=O)OCC2C=C(CC3C=CC=CC=3)OC=2)C1(C)C,2.1492191126553797,"Cyclopropanecarboxylic acid, 2,2,3,3-tetramethyl-, (5-benzyl-3-furyl)methyl ester"
CC1(C)C(C)(CCC1(C)C(O)=O)C(O)=O,3430.0,4.0,2.0,0.0,214.261,11.0,4.0,CC1(C)C(C)(CCC1(C)C(O)=O)C(O)=O,3.5352941200427703,Camphoric acid 3-methyl ester
CC1(C)C(C)C(C)(C)C2=CC3COCC(C)C=3C=C12,5490.0,4.0,2.0,0.0,258.405,18.0,1.0,CC1(C)C(C)C(C)(C)C2=CC3COCC(C)C=3C=C12,3.739572344450092,"Cyclopenta[g]-2-benzopyran, 1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethyl-"
CC1(C)C(C)C(C)(C)C2C3=NC=NC=C3CCC1=2,500.0,4.0,1.0,0.0,242.36599999999996,16.0,0.0,CC1(C)C(C)C(C)(C)C2C3=NC=NC=C3CCC1=2,2.6989700043360187,"5H-Cyclopenta[h]quinazoline, 6,7,8,9-tetrahydro-7,7,8,9,9-pentamethyl-"
CC1(C)C(C)C(C)(C)C2CCCC(=O)C1=2,2901.0,4.0,1.0,0.0,206.32899999999992,14.0,1.0,CC1(C)C(C)C(C)(C)C2CCCC(=O)C1=2,3.4625477288026643,"Dihydro-1,1,2,3,3-pentamethyl-4(5H)-indanone"
CC1(C)C(C1C(=O)OC(C#N)C1C=CC=C(C=1)OC1C=CC=CC=1)C(Br)C(Br)(Br)Br,1160.0,1.0,0.0,2.0,665.014,22.0,3.0,CC1(C)C(C1C(=O)OC(C#N)C1C=CC=C(C=1)OC1C=CC=CC=1)C(Br)C(Br)(Br)Br,3.0644579892269186,Tralomethrin
CC1(C)C(C1C=C(Br)Br)C(=O)OC(C#N)C1C=C(C=CC=1)OC1C=CC=CC=1,76.0,2.0,0.0,2.0,505.20600000000024,22.0,3.0,CC1(C)C(C1C=C(Br)Br)C(=O)OC(C#N)C1C=C(C=CC=1)OC1C=CC=CC=1,1.8808135922807914,Deltamethrin
CC1(C)C(C1C=C(Cl)C(F)(F)F)C(=O)OCC1=CC=CC(C2C=CC=CC=2)=C1C,54.5,3.0,0.0,1.0,422.8740000000001,23.0,2.0,CC1(C)C(C1C=C(Cl)C(F)(F)F)C(=O)OCC1=CC=CC(C2C=CC=CC=2)=C1C,1.7363965022766426,Bifenthrin
CC1(C)C(C1C=C(Cl)Cl)C(=O)OC(C#N)C1C=CC=C(N=1)OC1=CC=CC=C1,460.0,4.0,0.0,1.0,417.29200000000014,21.0,3.0,CC1(C)C(C1C=C(Cl)Cl)C(=O)OC(C#N)C1C=CC=C(N=1)OC1=CC=CC=C1,2.662757831681574,Fenpirithrin
CC1(C)C(C1C=C1CCSC1=O)C(=O)OCC1C=C(CC2C=CC=CC=2)OC=1,987.0,4.0,0.0,0.0,396.5080000000001,23.0,4.0,CC1(C)C(C1C=C1CCSC1=O)C(=O)OCC1C=C(CC2C=CC=CC=2)OC=1,2.9943171526696366,Kadethrin
CC1(C)C(C1C=CC(=O)OC(C(F)(F)F)C(F)(F)F)C(=O)OC(C#N)C1=CC(=CC=C1)OC1C=CC=CC=1,7500.0,2.0,0.0,2.0,541.4440000000002,26.0,5.0,CC1(C)C(C1C=CC(=O)OC(C(F)(F)F)C(F)(F)F)C(=O)OC(C#N)C1=CC(=CC=C1)OC1C=CC=CC=1,3.8750612633917,Acrinathrin
CC1(C)C(C=C(Cl)C(F)(F)F)C1C(=O)OCC1C(F)=C(F)C(C)=C(F)C=1F,28.5,4.0,1.0,1.0,418.7360000000001,17.0,2.0,CC1(C)C(C=C(Cl)C(F)(F)F)C1C(=O)OCC1C(F)=C(F)C(C)=C(F)C=1F,1.4548448600085102,Tefluthrin
CC1(C)C(C=C(Cl)C(F)(F)F)C1C(O)=O,4995.0,4.0,2.0,0.0,242.62399999999997,9.0,2.0,CC1(C)C(C=C(Cl)C(F)(F)F)C1C(O)=O,3.698535492562001,"Cyclopropanecarboxylic acid, 3-[(1Z)-2-chloro-3,3,3-trifluoro-1-propen-1-yl]-2,2-dimethyl-, (1R,3R)-rel-"
CC1(C)C(C=C(Cl)Cl)C1C(=O)OCC1C(F)=C(F)C(F)=C(F)C=1F,85.0,4.0,1.0,1.0,389.1470000000001,15.0,2.0,CC1(C)C(C=C(Cl)Cl)C1C(=O)OCC1C(F)=C(F)C(F)=C(F)C=1F,1.9294189257142926,Fenfluthrin
CC1(C)C(C=C2CCCC2)C1C(=O)OCC1=COC(CC2=CC=CC=C2)=C1,63.0,3.0,0.0,1.0,364.48500000000007,24.0,3.0,CC1(C)C(C=C2CCCC2)C1C(=O)OCC1=COC(CC2=CC=CC=C2)=C1,1.7993405494535817,RU-11679
CC1(C)C(CCC1(C)C(=O)OC(C)C1C=CC(C)=CC=1)C(O)=O,2808.0,4.0,1.0,0.0,318.413,19.0,4.0,CC1(C)C(CCC1(C)C(=O)OC(C)C1C=CC(C)=CC=1)C(O)=O,3.4483971034577676,Tocanfil
CC1(C)C(CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(C)CCC12C)C(O)=O)OC(=O)CCC(O)=O,2450.0,0.0,0.0,2.0,570.7670000000003,34.0,7.0,CC1(C)C(CCC2(C)C1CCC1(C)C2C(=O)C=C2C3CC(C)(CCC3(C)CCC12C)C(O)=O)OC(=O)CCC(O)=O,3.3891660843645326,Carbenoxolone sodium
CC1(C)C(O)C(C)(C)C1O,1500.0,2.0,2.0,0.0,144.214,8.0,2.0,CC1(C)C(O)C(C)(C)C1O,3.1760912590556813,"2,2,4,4-Tetramethylcyclobutane-1,3-diol"
CC1(C)C2C(O)CC(C)C32CC1C(=C)CC3,7500.0,4.0,2.0,0.0,220.356,15.0,1.0,CC1(C)C2C(O)CC(C)C32CC1C(=C)CC3,3.8750612633917,Cedr-8(15)-en-4-ol
CC1(C)C2C(O)OC(=O)C12,400.0,2.0,2.0,0.0,142.154,7.0,3.0,CC1(C)C2C(O)OC(=O)C12,2.6020599913279625,SCHEMBL9862937
CC1(C)C2CC(=O)C1(C)CC2,3988.0,3.0,2.0,0.0,152.237,10.0,1.0,CC1(C)C2CC(=O)C1(C)CC2,3.600755149639618,D-Camphor
CC1(C)C2CC(C)(CC2)C1=O,6160.0,3.0,2.0,0.0,152.237,10.0,1.0,CC1(C)C2CC(C)(CC2)C1=O,3.7895807121644256,d-Fenchone
CC1(C)C2CC(O)C1(C)CC2,5200.0,3.0,2.0,0.0,154.253,10.0,1.0,CC1(C)C2CC(O)C1(C)CC2,3.716003343634799,Isoborneol
CC1(C)C2CC(OC(=O)C=C)C1(C)CC2,4970.0,4.0,2.0,0.0,208.30099999999996,13.0,2.0,CC1(C)C2CC(OC(=O)C=C)C1(C)CC2,3.696356388733332,Isobornyl acrylate
CC1(C)C2CC(OC(=O)CC)C1(C)CC2,7500.0,4.0,2.0,0.0,210.31699999999995,13.0,2.0,CC1(C)C2CC(OC(=O)CC)C1(C)CC2,3.8750612633917,Isobornyl propanoate
CC1(C)C2CC(OC(=O)CSC#N)C1(C)CC2,1000.0,4.0,3.0,0.0,253.36699999999996,13.0,2.0,CC1(C)C2CC(OC(=O)CSC#N)C1(C)CC2,3.0,Thanite
CC1(C)C2CC(OC(C)=O)C1(C)CC2,9050.0,4.0,2.0,0.0,196.29,12.0,2.0,CC1(C)C2CC(OC(C)=O)C1(C)CC2,3.9566485792052033,Isobornyl acetate
CC1(C)C2CC(OCC(C)CO)C1(C)CC2,2751.0,4.0,1.0,0.0,226.35999999999996,14.0,2.0,CC1(C)C2CC(OCC(C)CO)C1(C)CC2,3.4394905903896835,"1-Propanol, 2-methyl-3-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]-"
CC1(C)C2CC1CC=C2CCC=O,1100.0,4.0,2.0,0.0,178.275,12.0,1.0,CC1(C)C2CC1CC=C2CCC=O,3.041392685158225,"3-(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)propanal"
CC1(C)C2CC1CC=C2CCO,890.0,4.0,2.0,0.0,166.264,11.0,1.0,CC1(C)C2CC1CC=C2CCO,2.949390006644913,"Bicyclo[3.1.1]hept-2-ene-2-ethanol, 6,6-dimethyl-"
CC1(C)C2CC1CCC2(C)O,2050.0,3.0,2.0,0.0,154.253,10.0,1.0,CC1(C)C2CC1CCC2(C)O,3.311753861055754,cis-2-Pinanol
CC1(C)C2CC1CCC2C=O,2300.0,3.0,2.0,0.0,152.237,10.0,1.0,CC1(C)C2CC1CCC2C=O,3.361727836017593,"6,6-Dimethylbicyclo[3.1.1]heptane-2-carbaldehyde"
CC1(C)C2CC3(CC(C(C)=O)=C2C)C1CCC3C,4575.0,4.0,1.0,0.0,246.39399999999995,17.0,1.0,CC1(C)C2CC3(CC(C(C)=O)=C2C)C1CCC3C,3.6603910984024672,1-Cedr-8-en-9-ylethanone
CC1(C)C2CC3(CC=C2COC(C)=O)C1CCC3C,7500.0,4.0,2.0,0.0,262.393,17.0,2.0,CC1(C)C2CC3(CC=C2COC(C)=O)C1CCC3C,3.8750612633917,Cedr-8-en-15-yl acetate
CC1(C)C2CC3(CCC2(C)OC)C1CCC3C,6251.0,4.0,1.0,0.0,236.39899999999997,16.0,1.0,CC1(C)C2CC3(CCC2(C)OC)C1CCC3C,3.7959494989028033,"1H-3a,7-Methanoazulene, octahydro-6-methoxy-3,6,8,8-tetramethyl-, (3R,3aS,6R,7R,8aS)-"
CC1(C)C2CC3(CCOC(O3)C(C)C)C1(C)CC2,3500.0,4.0,2.0,0.0,252.39799999999997,16.0,2.0,CC1(C)C2CC3(CCOC(O3)C(C)C)C1(C)CC2,3.5440680443502757,"Spiro[bicyclo[2.2.1]heptane-2,4'-[1,3]dioxane], 1,7,7-trimethyl-2'-(1-methylethyl)-, (1R,2S,2'S,4R)-"
CC1(C)C2CC3C(C)CCC1(O)C3(C)CC2,7500.0,4.0,1.0,0.0,222.37199999999996,15.0,1.0,CC1(C)C2CC3C(C)CCC1(O)C3(C)CC2,3.8750612633917,"(1R,4S,4aS,6R,8aS)-4,8a,9,9-Tetramethyloctahydro-1,6-methanonaphthalen-1(2H)-ol"
CC1(C)C2CC=C(C)C1(S)C2,3000.0,4.0,2.0,0.0,168.305,10.0,0.0,CC1(C)C2CC=C(C)C1(S)C2,3.4771212547196626,
CC1(C)C2CC=C(CC(C)(C)C=O)C1C2,7500.0,4.0,1.0,0.0,206.329,14.0,1.0,CC1(C)C2CC=C(CC(C)(C)C=O)C1C2,3.8750612633917,"3-(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)-2,2-dimethylpropanal"
CC1(C)C2CCC(C)(CC2)N(=O)=N1=O,940.0,4.0,2.0,0.0,198.266,10.0,2.0,CC1(C)C2CCC(C)(CC2)N(=O)=N1=O,2.9731278535996988,"2,3-Diazabicyclo[3.2.2]non-2-ene, 1,4,4-trimethyl-, 2,3-dioxide"
CC1(C)C2CCC(C)C32CC1C(C)(CC3)OC(C)=O,10001.0,4.0,2.0,0.0,264.409,17.0,2.0,CC1(C)C2CCC(C)C32CC1C(C)(CC3)OC(C)=O,4.000043427276863,Cedryl acetate
CC1(C)C2CCC1(C)C(=O)C2Br,4450.0,4.0,2.0,0.0,231.13299999999995,10.0,1.0,CC1(C)C2CCC1(C)C(=O)C2Br,3.6483600109809315,3-Bromo camphor
CC1(C)C2CCC3(C)C(C(=O)C=C4C5CC(C)(CCC5(C)CCC34C)C(O)=O)C2(C)CCC1O,3500.0,1.0,0.0,1.0,470.6940000000003,30.0,4.0,CC1(C)C2CCC3(C)C(C(=O)C=C4C5CC(C)(CCC5(C)CCC34C)C(O)=O)C2(C)CCC1O,3.5440680443502757,Glycyrrhetinic acid
CC1(C)C2CCC3(C)C(C(=O)C=C4C5CC(C)(CCC5(C)CCC34C)C(O)=O)C2(C)CCC1OC1OC(C(O)C(O)C1OC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O,10000.0,1.0,1.0,3.0,822.9420000000002,42.0,16.0,CC1(C)C2CCC3(C)C(C(=O)C=C4C5CC(C)(CCC5(C)CCC34C)C(O)=O)C2(C)CCC1OC1OC(C(O)C(O)C1OC1OC(C(O)C(O)C1O)C(O)=O)C(O)=O,4.0,Disodium glycyrrhizinate
CC1(C)C2CCC3(C)C(CC=C4C5CC(C)(CCC5(C)CCC34C)C(O)=O)C2(C)CCC1OC(=O)C=CC(O)=O,6000.0,0.0,0.0,2.0,554.7680000000003,34.0,6.0,CC1(C)C2CCC3(C)C(CC=C4C5CC(C)(CCC5(C)CCC34C)C(O)=O)C2(C)CCC1OC(=O)C=CC(O)=O,3.7781512503836434,
CC1(C)C=C(C2C=C(C=CC=2C1=O)C#N)N1C=CC=CC1=O,100.0,4.0,3.0,0.0,290.32200000000006,18.0,2.0,CC1(C)C=C(C2C=C(C=CC=2C1=O)C#N)N1C=CC=CC1=O,2.0,UR 8225
CC1(C)CC(=O)CC(C)(C)N1,1440.0,3.0,2.0,0.0,155.241,9.0,1.0,CC1(C)CC(=O)CC(C)(C)N1,3.1583624920952498,"4-Piperidinone, 2,2,6,6-tetramethyl-, sulfate (1:1)"
CC1(C)CC(=O)CC(C)(C)N1O,1464.0,4.0,2.0,0.0,171.24,9.0,2.0,CC1(C)CC(=O)CC(C)(C)N1O,3.165541076722373,"(2,2,6,6-Tetramethyl-4-oxopiperidin-1-yl)oxidanyl"
CC1(C)CC(=O)CC(C)(C1)C#N,188.0,4.0,2.0,0.0,165.236,10.0,1.0,CC1(C)CC(=O)CC(C)(C1)C#N,2.27415784926368,"1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile"
CC1(C)CC(C)(CN=CC(C)C)CC(C1)N=CC(C)C,4150.0,4.0,1.0,1.0,278.48400000000004,18.0,0.0,CC1(C)CC(C)(CN=CC(C)C)CC(C1)N=CC(C)C,3.6180480967120925,CERAPP_41340
CC1(C)CC(C)(CNC(=O)N(C)C)CC(C1)NC(=O)N(C)C,3500.0,4.0,2.0,0.0,312.4580000000001,16.0,2.0,CC1(C)CC(C)(CNC(=O)N(C)C)CC(C1)NC(=O)N(C)C,3.5440680443502757,"Urea, N'-[3-[[[(dimethylamino)carbonyl]amino]methyl]-3,5,5-trimethylcyclohexyl]-N,N-dimethyl-"
CC1(C)CC(C)CC(C)C1,10001.0,3.0,2.0,0.0,140.26999999999998,10.0,0.0,CC1(C)CC(C)CC(C)C1,4.000043427276863,"cyclohexane, 1,1,3,5-tetramethyl-, trans-"
CC1(C)CC(C)CC(C1)(OOC(C)(C)C)OOC(C)(C)C,8022.0,4.0,2.0,1.0,302.45500000000004,17.0,4.0,CC1(C)CC(C)CC(C1)(OOC(C)(C)C)OOC(C)(C)C,3.904282657645628,"1,1-Bis(tert-butylperoxy)-3,3,5-trimethylcyclohexane"
CC1(C)CC(C)OB(O1)OC(C)(C)CC(C)OB1OC(C)(C)CC(C)O1,4724.0,4.0,0.0,0.0,370.10400000000016,18.0,6.0,CC1(C)CC(C)OB(O1)OC(C)(C)CC(C)OB1OC(C)(C)CC(C)O1,3.6743098889414774,CERAPP_26617
CC1(C)CC(CC(C)(C)N1)N(CCCCCCN(C=O)C1CC(C)(C)NC(C)(C)C1)C=O,3600.0,2.0,0.0,0.0,450.7120000000003,26.0,2.0,CC1(C)CC(CC(C)(C)N1)N(CCCCCCN(C=O)C1CC(C)(C)NC(C)(C)C1)C=O,3.5563025007672873,"Formamide, N,N'-1,6-hexanediylbis[N-(2,2,6,6-tetramethyl-4-piperidinyl)-"
CC1(C)CC(CC(C)(C)N1)N1C(C)(C)CC(N)CC1(C)C,2167.0,4.0,2.0,0.0,295.515,18.0,0.0,CC1(C)CC(CC(C)(C)N1)N1C(C)(C)CC(N)CC1(C)C,3.335858911319818,
CC1(C)CC(CC(C)(C)N1)N=CN(C1CC(C)(C)NC(C)(C)C1)C1=NC(=NC(=N1)N(C=NC1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1)N(CC)CC,826.0,0.0,0.0,2.0,793.2509999999996,45.0,0.0,CC1(C)CC(CC(C)(C)N1)N=CN(C1CC(C)(C)NC(C)(C)C1)C1=NC(=NC(=N1)N(C=NC1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1)N(CC)CC,2.9169800473203824,"Methanimidamide, N,N''-[6-(diethylamino)-1,3,5-triazine-2,4-diyl]bis[N,N'-bis(2,2,6,6-tetramethyl-4-piperidinyl)-"
CC1(C)CC(CC(C)(C)N1)NC(=O)C1=CC(=CC=C1)C(=O)NC1CC(C)(C)NC(C)(C)C1,1253.0,2.0,0.0,0.0,442.64800000000025,26.0,2.0,CC1(C)CC(CC(C)(C)N1)NC(=O)C1=CC(=CC=C1)C(=O)NC1CC(C)(C)NC(C)(C)C1,3.09795107099415,"1,3-Benzenedicarboxamide, N,N'-bis(2,2,6,6-tetramethyl-4-piperidinyl)-"
CC1(C)CC(CC(C)(C)N1)NCCCCCCNC1CC(C)(C)NC(C)(C)C1,850.0,3.0,0.0,0.0,394.6920000000002,24.0,0.0,CC1(C)CC(CC(C)(C)N1)NCCCCCCNC1CC(C)(C)NC(C)(C)C1,2.929418925714293,"1,6-Hexanediamine, N,N'-bis(2,2,6,6-tetramethyl-4-piperidinyl)-"
CC1(C)CC(CC(C)(C)N1)OC(=O)CCCCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1,3700.0,0.0,0.0,1.0,480.7340000000002,28.0,4.0,CC1(C)CC(CC(C)(C)N1)OC(=O)CCCCCCCCC(=O)OC1CC(C)(C)NC(C)(C)C1,3.568201724066995,"Bis(2,2,6,6-tetramethyl-4-piperidyl) sebacate"
CC1(C)CC(CC(C)(C)N1C)N(CCCC)C1N=C(N=C(N=1)N(CCN(CCCNC1N=C(N=C(N=1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1)C1=NC(=NC(=N1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1)CCCNC1N=C(N=C(N=1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1,6251.0,0.0,0.0,4.0,2285.675999999996,132.0,0.0,CC1(C)CC(CC(C)(C)N1C)N(CCCC)C1N=C(N=C(N=1)N(CCN(CCCNC1N=C(N=C(N=1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1)C1=NC(=NC(=N1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1)CCCNC1N=C(N=C(N=1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1)N(CCCC)C1CC(C)(C)N(C)C(C)(C)C1,3.7959494989028033,"1,5,8,12-Tetrakis[4,6-bis(N-butyl-N-1,2,2,6,6-pentamethyl-4-piperidylamino)-1,3,5-triazin-2-yl]-1,5,8,12-tetraazadode..."
CC1(C)CC(CC(C)(C)N1O)OC(=O)CCCCCCCCC(=O)OC1CC(C)(C)N(O)C(C)(C)C1,5050.0,0.0,0.0,2.0,512.7320000000003,28.0,6.0,CC1(C)CC(CC(C)(C)N1O)OC(=O)CCCCCCCCC(=O)OC1CC(C)(C)N(O)C(C)(C)C1,3.7032913781186614,"1-Piperidinyloxy, 4,4'-[(1,10-dioxo-1,10-decanediyl)bis(oxy)]bis[2,2,6,6-tetramethyl-"
CC1(C)CC(CC(C)(C1)CN=C=O)N=C=O,2434.0,4.0,2.0,0.0,222.28799999999995,12.0,2.0,CC1(C)CC(CC(C)(C1)CN=C=O)N=C=O,3.386320573894046,Isophorone diisocyanate
CC1(C)CC(CC(C)(C1)CN=CC(C)(C)COC(=O)CCCCCCCCCCC)N=CC(C)(C)COC(=O)CCCCCCCCCCC,2751.0,0.0,0.0,2.0,703.1499999999995,44.0,4.0,CC1(C)CC(CC(C)(C1)CN=CC(C)(C)COC(=O)CCCCCCCCCCC)N=CC(C)(C)COC(=O)CCCCCCCCCCC,3.4394905903896835,"Dodecanoic acid, 3-[[3-[[[2,2-dimethyl-3-[(1-oxododecyl)oxy]propylidene]amino]methyl]-3,5,5-trimethylcyclohexyl]imino]-2,2-dimethylpropyl ester"
CC1(C)CC(CC(C)(C1)CNC(=O)OCCOCCN(C)C)NC(=O)OCCOCCN(C)C,706.0,1.0,1.0,0.0,488.6700000000004,24.0,6.0,CC1(C)CC(CC(C)(C1)CNC(=O)OCCOCCN(C)C)NC(=O)OCCOCCN(C)C,2.8488047010518036,"2-[2-(Dimethylamino)ethoxy]ethyl ({5-[({2-[2-(dimethylamino)ethoxy]ethoxy}carbonyl)amino]-1,3,3-trimethylcyclohexyl}methyl)carbamate"
CC1(C)CC(N)CC(C)(C)N1,976.0,3.0,2.0,0.0,156.27300000000002,9.0,0.0,CC1(C)CC(N)CC(C)(C)N1,2.9894498176666917,"2,2,6,6-Tetramethylpiperidin-4-amine"
CC1(C)CC(N)CC(C)(C1)CN,1030.0,4.0,2.0,0.0,170.29999999999998,10.0,0.0,CC1(C)CC(N)CC(C)(C1)CN,3.012837224705172,Isophorone diamine
CC1(C)CC(O)CC(C)(C)N1,2104.0,3.0,2.0,0.0,157.257,9.0,1.0,CC1(C)CC(O)CC(C)(C)N1,3.3230457354817013,"2,2,6,6-Tetramethyl- 4-piperidinol"
CC1(C)CC(O)CC(C)(C)N1CCO,3500.0,4.0,1.0,0.0,201.30999999999997,11.0,2.0,CC1(C)CC(O)CC(C)(C)N1CCO,3.5440680443502757,"1-Piperidineethanol, 4-hydroxy-2,2,6,6-tetramethyl-"
CC1(C)CC(O)CC(C)(C)N1O,1053.0,4.0,2.0,0.0,173.256,9.0,2.0,CC1(C)CC(O)CC(C)(C)N1O,3.0224283711854865,"4-Hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxidanyl"
CC1(C)CC(O)CC(C)(C1)CN,2142.0,4.0,2.0,0.0,171.28399999999996,10.0,1.0,CC1(C)CC(O)CC(C)(C1)CN,3.330819466495837,CERAPP_35855
CC1(C)CC(OC=O)C23CC(C)(CCC12)CCC3,3500.0,4.0,2.0,0.0,250.38199999999995,16.0,2.0,CC1(C)CC(OC=O)C23CC(C)(CCC12)CCC3,3.5440680443502757,CERAPP_41871
CC1(C)CC1C(=O)N=C(CCCCCSCC(N)C(O)=O)C(O)=O,10000.0,4.0,1.0,0.0,358.46000000000004,16.0,5.0,CC1(C)CC1C(=O)N=C(CCCCCSCC(N)C(O)=O)C(O)=O,4.0,Cilastatin
CC1(C)CC1CC1C(=O)N(C2=CC=CC=C2)N(C2=CC=CC=C2)C1=O,800.0,4.0,2.0,0.0,334.41900000000004,21.0,2.0,CC1(C)CC1CC1C(=O)N(C2=CC=CC=C2)N(C2=CC=CC=C2)C1=O,2.9030899869919438,
CC1(C)CC2(CC(C)(C)C3=CC=C(O)C=C23)C2C=C(O)C=CC1=2,7500.0,4.0,2.0,0.0,308.42100000000005,21.0,2.0,CC1(C)CC2(CC(C)(C)C3=CC=C(O)C=C23)C2C=C(O)C=CC1=2,3.8750612633917,"3,3,3',3'-Tetramethyl-2,2',3,3'-tetrahydro-1,1'-spirobi[indene]-6,6'-diol"
CC1(C)CC2(CC(C)(C)N1)OC1(CCCCCCCCCCC1)NC2=O,2775.5,4.0,1.0,0.0,364.5740000000001,22.0,2.0,CC1(C)CC2(CC(C)(C)N1)OC1(CCCCCCCCCCC1)NC2=O,3.4433412316678793,"7-Oxa-3,20-diazadispiro[5.1.11.2]heneicosan-21-one, 2,2,4,4-tetramethyl-"
CC1(C)CC2C1CCC1(C)CC2(CCC1)OC(C)=O,7500.0,4.0,2.0,0.0,264.409,17.0,2.0,CC1(C)CC2C1CCC1(C)CC2(CCC1)OC(C)=O,3.8750612633917,"(1R,2S,5R,8S)-4,4,8-trimethyltricyclo[6.3.1.02,5]dodec-1-yl acetate"
CC1(C)CC2C1CCC1(C)OC1CCC2=C,7500.0,4.0,1.0,0.0,220.35599999999997,15.0,1.0,CC1(C)CC2C1CCC1(C)OC1CCC2=C,3.8750612633917,(-)Carophyllene oxide
CC1(C)CC2C3=CCC4C(C)(CCC5C4(C)CCC(O)C5(C)C)C3(C)CCC2(CC1)C(O)=O,3500.0,1.0,0.0,1.0,456.7110000000003,30.0,3.0,CC1(C)CC2C3=CCC4C(C)(CCC5C4(C)CCC(O)C5(C)C)C3(C)CCC2(CC1)C(O)=O,3.5440680443502757,Oleanic acid
CC1(C)CCC(=CC2C=CC(Cl)=CC=2)C1(O)CN1C=NC=N1,3500.0,4.0,2.0,0.0,317.82,17.0,1.0,CC1(C)CCC(=CC2C=CC(Cl)=CC=2)C1(O)CN1C=NC=N1,3.5440680443502757,Triticonazole
CC1(C)CCC(=O)C2C31CC(CC3)C2(C)C,3500.0,4.0,1.0,0.0,220.35599999999997,15.0,1.0,CC1(C)CCC(=O)C2C31CC(CC3)C2(C)C,3.5440680443502757,Isolongifolanone- parent
CC1(C)CCC(C)(CCCCC)C1=O,6834.0,4.0,0.0,0.0,196.33399999999995,13.0,1.0,CC1(C)CCC(C)(CCCCC)C1=O,3.834674974462744,"2,2,5-Trimethyl-5-pentylcyclopentan-1-one"
CC1(C)CCC(CC1)NC(=O)C(N)CCC(O)=O,1430.0,4.0,2.0,0.0,256.34599999999995,13.0,3.0,CC1(C)CCC(CC1)NC(=O)C(N)CCC(O)=O,3.155336037465062,Neboglamine
CC1(C)CCC(O)C2(C)C1C(O)C(OC(C)=O)C1(C)OC(C)(CC(=O)C12O)C=C,2550.0,4.0,1.0,0.0,410.5070000000002,22.0,7.0,CC1(C)CCC(O)C2(C)C1C(O)C(OC(C)=O)C1(C)OC(C)(CC(=O)C12O)C=C,3.406540180433955,Forskolin
CC1(C)CCC2C(=C)C1CCC2(C)OCC,7500.0,4.0,1.0,0.0,222.37199999999996,15.0,1.0,CC1(C)CCC2C(=C)C1CCC2(C)OCC,3.8750612633917,"2-Ethoxy-2,6,6-trimethyl-9-methylenebicyclo[3.3.1]nonane"
CC1(C)CCCC(C)(C=C)O1,2750.0,3.0,2.0,0.0,154.253,10.0,1.0,CC1(C)CCCC(C)(C=C)O1,3.439332693830263,"2,2,6-Trimethyl-6-vinyltetrahydropyran"
CC1(C)CCCC(C)=C1C=CC(C)(O)C=C,3500.0,4.0,0.0,0.0,220.3559999999999,15.0,1.0,CC1(C)CCCC(C)=C1C=CC(C)(O)C=C,3.5440680443502757,"1,4-Pentadien-3-ol, 3-methyl-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-"
CC1(C)CCCC(C)=C1C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,2751.0,0.0,0.0,2.0,536.8880000000003,40.0,0.0,CC1(C)CCCC(C)=C1C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,3.4394905903896835,beta-Carotene
CC1(C)CCCC2(C)C1CCC(C)(O)C2CCC(C)(O)C=C,7500.0,4.0,1.0,0.0,308.5060000000001,20.0,2.0,CC1(C)CCCC2(C)C1CCC(C)(O)C2CCC(C)(O)C=C,3.8750612633917,Sclareol
CC1(C)CCCC2(C)C1CCC1(C)OC(=O)CC12,10001.0,4.0,2.0,0.0,250.38199999999995,16.0,2.0,CC1(C)CCCC2(C)C1CCC1(C)OC(=O)CC12,4.000043427276863,(3aR)-(+)-Sclareolide
CC1(C)CCCC2(C)C1CCC1(C)OCCC12,2751.0,4.0,1.0,0.0,236.39899999999992,16.0,1.0,CC1(C)CCCC2(C)C1CCC1(C)OCCC12,3.4394905903896835,(-)-Ambroxide
CC1(C)CCCC2(C)C1CCC13COC(C)(CCC21)O3,3500.0,4.0,2.0,0.0,278.436,18.0,2.0,CC1(C)CCCC2(C)C1CCC13COC(C)(CCC21)O3,3.5440680443502757,"5H-3,5a-Epoxynaphth[2,1-c]oxepin, dodecahydro-3,8,8,11a-tetramethyl-"
CC1(C)CCCC2(C)C3CCC(C13)C2=C,6251.0,4.0,1.0,0.0,204.3569999999999,15.0,0.0,CC1(C)CCCC2(C)C3CCC(C13)C2=C,3.7959494989028033,Longifolene
CC1(C)CCCC23CCC(C)(CC12)C(=O)O3,1600.0,4.0,2.0,0.0,222.32799999999995,14.0,2.0,CC1(C)CCCC23CCC(C)(CC12)C(=O)O3,3.2041199826559246,CERAPP_37106
CC1(C)CN(NC1=O)C1C=CC=CC=1,30.0,4.0,2.0,0.0,190.246,11.0,1.0,CC1(C)CN(NC1=O)C1C=CC=CC=1,1.4771212547196624,"4,4-Dimethyl-1-phenyl-3-pyrazolidone"
CC1(C)CNC(=NC1)C(CC)(OCC)C1C=CC(Cl)=CC=1,58.0,4.0,1.0,0.0,308.853,17.0,1.0,CC1(C)CNC(=NC1)C(CC)(OCC)C1C=CC(Cl)=CC=1,1.7634279935629373,
CC1(C)CNC(NC1)=NN=C(C=CC1C=CC(=CC=1)C(F)(F)F)C=CC1C=CC(=CC=1)C(F)(F)F,1131.0,2.0,1.0,1.0,494.4830000000001,25.0,0.0,CC1(C)CNC(NC1)=NN=C(C=CC1C=CC(=CC=1)C(F)(F)F)C=CC1C=CC(=CC=1)C(F)(F)F,3.053462604925455,Hydramethylnon
CC1(C)CO1,3890.0,1.0,2.0,0.0,72.107,4.0,1.0,CC1(C)CO1,3.5899496013257077,"Oxirane, 2,2-dimethyl-"
CC1(C)COB(OCC(C)(C)COB2OCC(C)(C)CO2)OC1,7500.0,4.0,2.0,0.0,328.0230000000001,15.0,6.0,CC1(C)COB(OCC(C)(C)COB2OCC(C)(C)CO2)OC1,3.8750612633917,"1,3,2-Dioxaborinane, 2,2'-[2,2-dimethyl-1,3-propanediylbis(oxy)]bis[5,5-dimethyl-"
CC1(C)COC(=N1)C1C=CC=CC1=O,3700.0,4.0,2.0,0.0,191.23,11.0,2.0,CC1(C)COC(=N1)C1C=CC=CC1=O,3.568201724066995,
CC1(C)COC(=O)C1O,9700.0,1.0,2.0,0.0,130.143,6.0,3.0,CC1(C)COC(=O)C1O,3.9867717342662448,CERAPP_26381
CC1(C)COC(CN2C=NC=N2)(OC1)C1=CC2=CC=CC=C2O1,1000.0,4.0,3.0,0.0,313.35700000000014,17.0,3.0,CC1(C)COC(CN2C=NC=N2)(OC1)C1=CC2=CC=CC=C2O1,3.0,"1H-1,2,4-Triazole, 1-((2-(2-benzofuranyl)-5,5-dimethyl-1,3-dioxan-2-yl)methyl)-"
CC1(C)COC1=O,1470.0,1.0,2.0,0.0,100.117,5.0,2.0,CC1(C)COC1=O,3.167317334748176,Pivalolactone
CC1(C)COCN1,1037.0,1.0,2.0,0.0,101.149,5.0,1.0,CC1(C)COCN1,3.015778756389041,"4,4-Dimethyloxazolidine"
CC1(C)CON(CC2C=CC=CC=2Cl)C1=O,1635.0,4.0,2.0,0.0,239.702,12.0,2.0,CC1(C)CON(CC2C=CC=CC=2Cl)C1=O,3.2135177569963047,Clomazone
CC1(C)COP(=S)(OP2(=S)OCC(C)(C)CO2)OC1,7500.0,4.0,2.0,0.0,346.34700000000015,10.0,5.0,CC1(C)COP(=S)(OP2(=S)OCC(C)(C)CO2)OC1,3.8750612633917,"1,3,2-Dioxaphosphorinane, 2,2'-oxybis[5,5-dimethyl-, 2,2'-disulfide"
CC1(C)NC(=O)N(C1=O)C1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F,195.0,4.0,3.0,0.0,317.223,12.0,4.0,CC1(C)NC(=O)N(C1=O)C1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F,2.290034611362518,Nilutamide
CC1(C)NC(=O)NC1=O,7650.0,1.0,2.0,0.0,128.131,5.0,2.0,CC1(C)NC(=O)NC1=O,3.8836614351536176,"5,5-Dimethylhydantoin"
CC1(C)OC(=O)CC(=O)O1,7500.0,1.0,2.0,0.0,144.126,6.0,4.0,CC1(C)OC(=O)CC(=O)O1,3.8750612633917,"2,2-Dimethyl-1,3-dioxane-4,6-dione"
CC1(C)OC(=O)N(C2C=C(Cl)C=C(Cl)C=2)C1=O,3000.0,4.0,3.0,0.0,274.10300000000007,11.0,3.0,CC1(C)OC(=O)N(C2C=C(Cl)C=C(Cl)C=2)C1=O,3.4771212547196626,"2,4-Oxazolidinedione, 3-(3,4-dichlorophenyl)-5,5-dimethyl-"
CC1(C)OC2(C(CC3C4CC(F)C5=CC(=O)C=CC5(C)C4(F)C(O)CC23C)O1)C(=O)CO,4000.0,4.0,1.0,0.0,452.49400000000026,24.0,6.0,CC1(C)OC2(C(CC3C4CC(F)C5=CC(=O)C=CC5(C)C4(F)C(O)CC23C)O1)C(=O)CO,3.6020599913279625,Fluocinolone acetonide
CC1(C)OC2(C(CC3C4CC(F)C5=CC(=O)C=CC5(C)C4(F)C(O)CC23C)O1)C(=O)COC(C)=O,14.0,3.0,1.0,0.0,494.53100000000023,26.0,7.0,CC1(C)OC2(C(CC3C4CC(F)C5=CC(=O)C=CC5(C)C4(F)C(O)CC23C)O1)C(=O)COC(C)=O,1.146128035678238,Fluocinonide
CC1(C)OC2(C(CC3C4CCC5=CC(=O)CCC5(C)C4(F)C(O)CC23C)O1)C(=O)CCl,7500.0,4.0,1.0,0.0,454.96600000000024,24.0,5.0,CC1(C)OC2(C(CC3C4CCC5=CC(=O)CCC5(C)C4(F)C(O)CC23C)O1)C(=O)CCl,3.8750612633917,Halcinonide
CC1(C)OC2(C)CCC1CC2,4300.0,3.0,2.0,0.0,154.253,10.0,1.0,CC1(C)OC2(C)CCC1CC2,3.6334684555795866,"1,8-Cineol"
CC1(C)OC2C(=CC=CC=2C1O)OC(=O)NC,18.0,4.0,2.0,0.0,237.25499999999997,12.0,4.0,CC1(C)OC2C(=CC=CC=2C1O)OC(=O)NC,1.255272505103306,3-Hydroxycarbofuran
CC1(C)OC2C3OC(C)(C)OCC3OC2(O1)C(O)=O,10001.0,4.0,3.0,0.0,274.269,12.0,7.0,CC1(C)OC2C3OC(C)(C)OCC3OC2(O1)C(O)=O,4.000043427276863,Dikegulac sodium
CC1(C)OC2C=CC=C(OC(=O)NC)C=2O1,95.0,4.0,2.0,0.0,223.22799999999995,11.0,4.0,CC1(C)OC2C=CC=C(OC(=O)NC)C=2O1,1.9777236052888478,Bendiocarb
CC1(C)OC2CC3C4CC(F)C5=CC(=O)C=CC5(C)C4C(O)CC3(C)C2(O1)C(=O)CO,0.5,4.0,1.0,0.0,434.50400000000025,24.0,6.0,CC1(C)OC2CC3C4CC(F)C5=CC(=O)C=CC5(C)C4C(O)CC3(C)C2(O1)C(=O)CO,-0.3010299956639812,Flunisolide
CC1(C)OCC(CCl)O1,115.0,2.0,2.0,0.0,150.605,6.0,2.0,CC1(C)OCC(CCl)O1,2.060697840353612,"1,3-Dioxolane, 4-(chloromethyl)-2,2-dimethyl-"
CC1(C)OCC(CO)O1,7000.0,2.0,2.0,0.0,132.159,6.0,3.0,CC1(C)OCC(CO)O1,3.845098040014257,Solketal
CC1(C)SC2C(/N=C(O)/C(C3C=CC=CC=3)C(=O)OC3=CC4CCCC=4C=C3)C(=O)N2C1C(O)=O,4450.0,2.0,1.0,0.0,494.5690000000003,26.0,6.0,CC1(C)SC2C(/N=C(O)/C(C3C=CC=CC=3)C(=O)OC3=CC4CCCC=4C=C3)C(=O)N2C1C(O)=O,3.6483600109809315,
CC1(C)SC2C(C(=O)N2C1C(O)=O)N1C(=O)C(NC1(C)C)C1C=CC=CC=1,10000.0,4.0,2.0,0.0,389.4770000000002,19.0,4.0,CC1(C)SC2C(C(=O)N2C1C(O)=O)N1C(=O)C(NC1(C)C)C1C=CC=CC=1,4.0,Hetacillin
CC1(C)SC2C(N)C(=O)N2C1C(O)=O,3500.0,3.0,2.0,0.0,216.262,8.0,3.0,CC1(C)SC2C(N)C(=O)N2C1C(O)=O,3.5440680443502757,6-Aminopenicillanic acid
CC1(C)SC2C(N=CN3CCCCCC3)C(=O)N2C1C(O)=O,10000.0,4.0,3.0,0.0,325.4339999999999,15.0,3.0,CC1(C)SC2C(N=CN3CCCCCC3)C(=O)N2C1C(O)=O,4.0,Amdinocillin
CC1(C)SC2C(NC(=O)C(C3=CSC=C3)C(O)=O)C(=O)N2C1C(O)=O,10001.0,4.0,2.0,0.0,384.4350000000001,15.0,6.0,CC1(C)SC2C(NC(=O)C(C3=CSC=C3)C(O)=O)C(=O)N2C1C(O)=O,4.000043427276863,Ticarcillin disodium
CC1(C)SC2C(NC(=O)C(C3C=CC=CC=3)C(=O)OC3=CC4CCCC=4C=C3)C(=O)N2C1C(O)=O,3500.0,3.0,1.0,0.0,494.5690000000003,26.0,6.0,CC1(C)SC2C(NC(=O)C(C3C=CC=CC=3)C(=O)OC3=CC4CCCC=4C=C3)C(=O)N2C1C(O)=O,3.5440680443502757,Carbenicillin indanyl
CC1(C)SC2C(NC(=O)C(C3C=CC=CC=3)C(=O)OC3C=CC=CC=3)C(=O)N2C1C(O)=O,10000.0,4.0,1.0,0.0,454.50400000000013,23.0,6.0,CC1(C)SC2C(NC(=O)C(C3C=CC=CC=3)C(=O)OC3C=CC=CC=3)C(=O)N2C1C(O)=O,4.0,Carbenicillin Phenyl Sodium
CC1(C)SC2C(NC(=O)C(C3C=CC=CC=3)C(O)=O)C(=O)N2C1C(O)=O,10000.0,4.0,2.0,0.0,378.4060000000001,17.0,6.0,CC1(C)SC2C(NC(=O)C(C3C=CC=CC=3)C(O)=O)C(=O)N2C1C(O)=O,4.0,Carbenicillin
CC1(C)SC2C(NC(=O)C(C3C=CC=CC=3)S(O)(=O)=O)C(=O)N2C1C(O)=O,10001.0,4.0,1.0,0.0,414.4610000000002,16.0,7.0,CC1(C)SC2C(NC(=O)C(C3C=CC=CC=3)S(O)(=O)=O)C(=O)N2C1C(O)=O,4.000043427276863,Sulbenicillin disodium
CC1(C)SC2C(NC(=O)C(N)C3C=CC(O)=CC=3)C(=O)N2C1C(O)=O,9625.5,4.0,1.0,0.0,365.4110000000001,16.0,5.0,CC1(C)SC2C(NC(=O)C(N)C3C=CC(O)=CC=3)C(=O)N2C1C(O)=O,3.983423298346872,Amoxicillin
CC1(C)SC2C(NC(=O)C(N)C3C=CC=CC=3)C(=O)N2C1C(=O)OC1OC(=O)C2C=CC=CC=21,1000.0,3.0,1.0,0.0,481.53000000000026,24.0,6.0,CC1(C)SC2C(NC(=O)C(N)C3C=CC=CC=3)C(=O)N2C1C(=O)OC1OC(=O)C2C=CC=CC=21,3.0,Talampicillin
CC1(C)SC2C(NC(=O)C(N)C3C=CC=CC=3)C(=O)N2C1C(=O)OCOC(=O)C1N2C(CC2=O)S(=O)(=O)C1(C)C,10000.0,1.0,1.0,3.0,594.6680000000002,25.0,9.0,CC1(C)SC2C(NC(=O)C(N)C3C=CC=CC=3)C(=O)N2C1C(=O)OCOC(=O)C1N2C(CC2=O)S(=O)(=O)C1(C)C,4.0,Sultamicillin tosylate
CC1(C)SC2C(NC(=O)C(N)C3C=CC=CC=3)C(=O)N2C1C(O)=O,10000.0,4.0,3.0,0.0,349.4120000000001,16.0,4.0,CC1(C)SC2C(NC(=O)C(N)C3C=CC=CC=3)C(=O)N2C1C(O)=O,4.0,Ampicillin trihydrate
CC1(C)SC2C(NC(=O)C3(N)CCCCC3)C(=O)N2C1C(O)=O,5010.0,4.0,3.0,0.0,341.433,15.0,4.0,CC1(C)SC2C(NC(=O)C3(N)CCCCC3)C(=O)N2C1C(O)=O,3.699837725867246,Cyclacillin
CC1(C)SC2C(NC(=O)CC3C=CC=CC=3)C(=O)N2C1C(O)=O,7938.666666666667,4.0,3.0,0.0,334.39700000000005,16.0,4.0,CC1(C)SC2C(NC(=O)CC3C=CC=CC=3)C(=O)N2C1C(O)=O,3.899747566919006,Penicillin G sodium
CC1(C)SC2C(NC(=O)COC3C=CC=CC=3)C(=O)N2C1C(O)=O,1630.0,4.0,2.0,0.0,350.3960000000001,16.0,5.0,CC1(C)SC2C(NC(=O)COC3C=CC=CC=3)C(=O)N2C1C(O)=O,3.2121876044039577,Penicillin VK
CC1(C)SCN(C1C(O)=O)C(=O)C1(CCCCC1)OC1C=CC(Cl)=CC=1,4350.0,4.0,1.0,0.0,397.92400000000026,19.0,4.0,CC1(C)SCN(C1C(O)=O)C(=O)C1(CCCCC1)OC1C=CC(Cl)=CC=1,3.6384892569546374,
CC1(C=C)OC(=O)N(C2C=C(Cl)C=C(Cl)C=2)C1=O,10001.0,4.0,3.0,0.0,286.11400000000003,12.0,3.0,CC1(C=C)OC(=O)N(C2C=C(Cl)C=C(Cl)C=2)C1=O,4.000043427276863,Vinclozolin
CC1(CC(OC(=O)CSCCN(CC)CC)C2(C)C3C(=O)CCC3(CCC2C)C(C)C1O)C=C,2230.0,1.0,0.0,0.0,493.7540000000003,28.0,4.0,CC1(CC(OC(=O)CSCCN(CC)CC)C2(C)C3C(=O)CCC3(CCC2C)C(C)C1O)C=C,3.3483048630481607,Tiamulin
CC1(CC)OOC(C)(CC)OOC(C)(CC)OO1,2751.0,4.0,2.0,0.0,264.3179999999999,12.0,6.0,CC1(CC)OOC(C)(CC)OOC(C)(CC)OO1,3.4394905903896835,"3,6,9-Triethyl-3,6,9-trimethyl-1,2,4,5,7,8-hexoxonane"
CC1(CC=CCC1)C(O)=O,2140.0,2.0,2.0,0.0,140.182,8.0,2.0,CC1(CC=CCC1)C(O)=O,3.330413773349191,
CC1(CCC2(CC(O)C(C)C(O2)C(C)C(OC)C(C)C(O)=O)O1)C1CCC(CC)(O1)C1OC(CC1C)C1OC(O)(CO)C(C)CC1C,64.5,1.0,0.0,1.0,670.8810000000005,36.0,11.0,CC1(CCC2(CC(O)C(C)C(O2)C(C)C(OC)C(C)C(O)=O)O1)C1CCC(CC)(O1)C1OC(CC1C)C1OC(O)(CO)C(C)CC1C,1.8095597146352678,Monensin sodium
CC1(CCC2(O1)OC1(C=CC2O)OC(C(CC)C(=O)C(C)C(O)C(C)C2OC(C(CC)C(O)=O)C(C)CC2C)C(C)CC1C)C1CCC(O)(CC)C(C)O1,18.5,0.0,0.0,2.0,765.0380000000001,43.0,11.0,CC1(CCC2(O1)OC1(C=CC2O)OC(C(CC)C(=O)C(C)C(O)C(C)C2OC(C(CC)C(O)=O)C(C)CC2C)C(C)CC1C)C1CCC(O)(CC)C(C)O1,1.2671717284030137,Narasin
CC1(CCC=C(C)CO)C2CC3C(C2)C13C,3800.0,4.0,1.0,0.0,220.356,15.0,1.0,CC1(CCC=C(C)CO)C2CC3C(C2)C13C,3.57978359661681,alpha-Santalol
CC1(CCCC1)NC(N)=O,1200.0,2.0,2.0,0.0,142.202,7.0,1.0,CC1(CCCC1)NC(N)=O,3.0791812460476247,"Urea, (1-methylcyclopentyl)-"
CC1(CCCCC1)C(=O)NC1C=CC(O)=C(Cl)C=1Cl,4501.0,4.0,2.0,0.0,302.20100000000014,14.0,2.0,CC1(CCCCC1)C(=O)NC1C=CC(O)=C(Cl)C=1Cl,3.653309012938479,Fenhexamid
CC1(CCCCC1)C(O)=O,750.0,2.0,2.0,0.0,142.19799999999998,8.0,2.0,CC1(CCCCC1)C(O)=O,2.8750612633917,1-Methylcyclohexanecarboxylic acid
CC1(CN2C=CN=N2)C(C(O)=O)N2C(CC2=O)S1(=O)=O,6251.0,3.0,3.0,0.0,300.296,10.0,5.0,CC1(CN2C=CN=N2)C(C(O)=O)N2C(CC2=O)S1(=O)=O,3.7959494989028033,Tazobactam sodium
CC1(CNC(=NC1)C(OCC)C1C=CC=CC=1)CC,220.0,4.0,2.0,0.0,260.38100000000003,16.0,1.0,CC1(CNC(=NC1)C(OCC)C1C=CC=CC=1)CC,2.342422680822206,
CC1(CO)CN(NC1=O)C1C=CC=CC=1,1300.0,4.0,2.0,0.0,206.24500000000003,11.0,2.0,CC1(CO)CN(NC1=O)C1C=CC=CC=1,3.113943352306837,4-(Hydroxymethyl)-4-methyl-1-phenylpyrazolidin-3-one
CC1(COCC2(C)CO2)CO1,1680.0,2.0,2.0,0.0,158.19699999999995,8.0,3.0,CC1(COCC2(C)CO2)CO1,3.225309281725863,
CC1(COCCOCC2(C)CO2)CO1,7460.0,4.0,1.0,0.0,202.24999999999997,10.0,4.0,CC1(COCCOCC2(C)CO2)CO1,3.8727388274726686,
CC1(N)CN(CN(C1)CC(CCCC)CC)CC(CCCC)CC,1020.0,4.0,1.0,0.0,339.6120000000001,21.0,0.0,CC1(N)CN(CN(C1)CC(CCCC)CC)CC(CCCC)CC,3.0086001717619175,Hexetidine
CC1(N=C(NC1=O)C1=NC2C=CC=CC=2C=C1C(O)=O)C(C)C,5046.0,4.0,3.0,0.0,311.341,17.0,3.0,CC1(N=C(NC1=O)C1=NC2C=CC=CC=2C=C1C(O)=O)C(C)C,3.702947246181556,Imazaquin
CC1(N=C(NC1=O)C1=NC=C(COC)C=C1C(O)=O)C(C)C,7500.0,4.0,2.0,0.0,305.33400000000006,15.0,4.0,CC1(N=C(NC1=O)C1=NC=C(COC)C=C1C(O)=O)C(C)C,3.8750612633917,Imazamox
CC1(N=C(NC1=O)C1=NC=CC=C1C(O)=O)C(C)C,7188.0,4.0,3.0,0.0,261.281,13.0,3.0,CC1(N=C(NC1=O)C1=NC=CC=C1C(O)=O)C(C)C,3.856608068436936,"2-(4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl)-3-pyridinecarboxylic acid with 2-propanamine (1:1)"
CC1(O)C2C(C(=O)C3=C1C=CC=C3O)C(=O)C1(O)C(C(C(=O)C(C(N)=O)C1=O)N(C)C)C2O,4800.0,3.0,1.0,0.0,460.43900000000014,22.0,9.0,CC1(O)C2C(C(=O)C3=C1C=CC=C3O)C(=O)C1(O)C(C(C(=O)C(C(N)=O)C1=O)N(C)C)C2O,3.681241237375587,Oxytetracycline dihydrate
CC1(O)C2CC3C(C(=O)C(C(N)=O)C(=O)C3(O)C(=O)C2C(=O)C2=C1C=CC=C2O)N(C)C,2584.0,3.0,1.0,0.0,444.44000000000017,22.0,8.0,CC1(O)C2CC3C(C(=O)C(C(N)=O)C(=O)C3(O)C(=O)C2C(=O)C2=C1C=CC=C2O)N(C)C,3.4122925093230463,Tetracycline
CC1(O)CC(OCC1)C(CC)CC,3500.0,4.0,2.0,0.0,186.29499999999996,11.0,2.0,CC1(O)CC(OCC1)C(CC)CC,3.5440680443502757,"2H-Pyran-4-ol, 2-(1-ethylpropyl)tetrahydro-4-methyl-"
CC1(O)OC(C2CCC(O2)C2CCC(O2)C2(C)OC3(OC(CC(OC)C3C)CC3OC(O)(C(C)C(O)=O)C(C)C(OC)C3(C)OC3CCC(OC)C(C)O3)C(C)C2OC)C(C)CC1C,10.0,1.0,0.0,4.0,915.1680000000003,48.0,16.0,CC1(O)OC(C2CCC(O2)C2CCC(O2)C2(C)OC3(OC(CC(OC)C3C)CC3OC(O)(C(C)C(O)=O)C(C)C(OC)C3(C)OC3CCC(OC)C(C)O3)C(C)C2OC)C(C)CC1C,1.0,Septamycin
CC1(OC(=CC1=O)C(O)=O)C1C=CC=CC=1,3000.0,4.0,2.0,0.0,218.20799999999997,12.0,4.0,CC1(OC(=CC1=O)C(O)=O)C1C=CC=CC=1,3.4771212547196626,Acifran
CC1(OC(=O)N(NC2C=CC=CC=2)C1=O)C1C=CC(=CC=1)OC1C=CC=CC=1,7500.0,4.0,1.0,0.0,374.3960000000001,22.0,4.0,CC1(OC(=O)N(NC2C=CC=CC=2)C1=O)C1C=CC(=CC=1)OC1C=CC=CC=1,3.8750612633917,Famoxadone
CC1(OC1C(=O)OCC)C1C=CC=CC=1,5470.0,4.0,2.0,0.0,206.241,12.0,3.0,CC1(OC1C(=O)OCC)C1C=CC=CC=1,3.737987326333431,Ethyl methylphenylglycidate
CC1(OC2(CC1OC1CCC(OC)C(C)O1)CC(O)C(C)C(O2)C(C)C=C(C)C(=O)C(C)CC(C)C(O)=O)C1CCC(C)C2(O1)OC(CC2C)C1OC(O)(CO)C(C)CC1C,7.5,0.0,0.0,4.0,867.1270000000001,47.0,14.0,CC1(OC2(CC1OC1CCC(OC)C(C)O1)CC(O)C(C)C(O2)C(C)C=C(C)C(=O)C(C)CC(C)C(O)=O)C1CCC(C)C2(O1)OC(CC2C)C1OC(O)(CO)C(C)CC1C,0.8750612633917001,
CC1(OC2CC3OC(O)(CC(O)C3C(O)=O)CC(O)CC3OC3C=CC(=O)OC(C)CC=CC=CC=CC=C2)OC(C)C(O)C(N)C1O,2730.0,1.0,1.0,3.0,679.7600000000003,34.0,13.0,CC1(OC2CC3OC(O)(CC(O)C3C(O)=O)CC(O)CC3OC3C=CC(=O)OC(C)CC=CC=CC=CC=C2)OC(C)C(O)C(N)C1O,3.436162647040756,Natamycin
CC12C(O)C(O)C(OC3C=C(C)C(=O)C(O)C13CO)C12CO1,19.5,3.0,3.0,0.0,312.318,15.0,7.0,CC12C(O)C(O)C(OC3C=C(C)C(=O)C(O)C13CO)C12CO1,1.290034611362518,Nivalenol
CC12C(O)C(O)C(OC3C=C(C)C(O)CC13COC(C)=O)C12CO1,36.2,3.0,2.0,0.0,340.3720000000002,17.0,7.0,CC12C(O)C(O)C(OC3C=C(C)C(O)CC13COC(C)=O)C12CO1,1.5587085705331658,
CC12C(OC(C)=O)C(O)C(OC3C=C(C)C(=O)C(O)C13CO)C12CO1,4.0,3.0,1.0,0.0,354.35500000000013,17.0,8.0,CC12C(OC(C)=O)C(O)C(OC3C=C(C)C(=O)C(O)C13CO)C12CO1,0.6020599913279624,Fusarenon-X
CC12C(OC(C)=O)C(O)C(OC3C=C(C)C(CC13COC(C)=O)OC(=O)CC(C)C)C12CO1,4.0,4.0,1.0,0.0,466.5270000000002,24.0,9.0,CC12C(OC(C)=O)C(O)C(OC3C=C(C)C(CC13COC(C)=O)OC(=O)CC(C)C)C12CO1,0.6020599913279624,T-2 toxin
CC12C3C(=O)CCC3(CCC1C)C(C)C(O)C(C)(CC2OC(=O)CO)C=C,1150.0,4.0,1.0,0.0,378.5090000000001,22.0,5.0,CC12C3C(=O)CCC3(CCC1C)C(C)C(O)C(C)(CC2OC(=O)CO)C=C,3.060697840353612,Pleuromutilin
CC12C3C(C(O)=O)C45CC(O)(CCC4C3(C=CC1O)OC2=O)C(=C)C5,6300.0,4.0,3.0,0.0,346.3790000000001,19.0,6.0,CC12C3C(C(O)=O)C45CC(O)(CCC4C3(C=CC1O)OC2=O)C(=C)C5,3.7993405494535817,"Gibberellic acid, monopotassium salt"
CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO,3868.0,4.0,2.0,0.0,360.4500000000002,21.0,5.0,CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO,3.587486465410964,Prednisolone
CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COC(=O)CCCC1C=CC(=CC=1)N(CCCl)CCCl,530.0,1.0,0.0,2.0,646.6520000000003,35.0,6.0,CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COC(=O)CCCC1C=CC(=CC=1)N(CCCl)CCCl,2.724275869600789,Prednimustine
CC12CC(C#N)C(=O)C3OC13CCC1C2CCC2(C)C(O)CCC21,10001.0,4.0,3.0,0.0,329.44000000000005,20.0,3.0,CC12CC(C#N)C(=O)C3OC13CCC1C2CCC2(C)C(O)CCC21,4.000043427276863,Trilostane
CC12CC(O)C3(F)C(CC(F)C4=CC(=O)C(Br)=CC34C)C1CCC2(OC(C)=O)C(=O)COC(C)=O,7500.0,3.0,1.0,1.0,559.4000000000001,25.0,7.0,CC12CC(O)C3(F)C(CC(F)C4=CC(=O)C(Br)=CC34C)C1CCC2(OC(C)=O)C(=O)COC(C)=O,3.8750612633917,Halopredone acetate
CC12CC1(C)C(=O)N(C1C=C(Cl)C=C(Cl)C=1)C2=O,7250.0,4.0,3.0,0.0,284.14200000000005,13.0,2.0,CC12CC1(C)C(=O)N(C1C=C(Cl)C=C(Cl)C=1)C2=O,3.8603380065709936,Procymidone
CC12CCC(=O)C=C1C=CC1C2CCC2(C)C1CCC2(O)CCC(O)=O,650.0,4.0,1.0,0.0,358.4780000000001,22.0,4.0,CC12CCC(=O)C=C1C=CC1C2CCC2(C)C1CCC2(O)CCC(O)=O,2.8129133566428557,Canrenoic acid
CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COP(O)(O)=O,6100.0,4.0,1.0,0.0,442.4450000000002,21.0,8.0,CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)COP(O)(O)=O,3.785329835010767,Hydrocortisone 21-phosphate
CC12CCC(=O)C=C1CCC1C2CCC2(C)C1CCC2=O,1000.0,4.0,2.0,0.0,286.415,19.0,2.0,CC12CCC(=O)C=C1CCC1C2CCC2(C)C1CCC2=O,3.0,"4-Androstene-3,17-dione"
CC12CCC(CC1)(O2)C(C)C,3100.0,3.0,2.0,0.0,154.253,10.0,1.0,CC12CCC(CC1)(O2)C(C)C,3.4913616938342726,"1,4-Cineole"
CC12CCC(CC1CCC1C2CC(O)C2(C)C(CCC21O)C1COC(=O)C=1)OC1CC(O)C(OC2CC(O)C(OC3CC(O)C(O)C(C)O3)C(C)O2)C(C)O1,28.27,1.0,1.0,3.0,780.9490000000002,41.0,14.0,CC12CCC(CC1CCC1C2CC(O)C2(C)C(CCC21O)C1COC(=O)C=1)OC1CC(O)C(OC2CC(O)C(OC3CC(O)C(O)C(C)O3)C(C)O2)C(C)O1,1.4513258084895195,Digoxin
CC12CCC(CC1CCC1C2CCC2(C)C(C(CC21O)OC=O)C1COC(=O)C=1)OC1CC(O)C(OC2CC(O)C(OC3CC(O)C(O)C(C)O3)C(C)O2)C(C)O1,29.96,1.0,1.0,3.0,808.9590000000004,42.0,15.0,CC12CCC(CC1CCC1C2CCC2(C)C(C(CC21O)OC=O)C1COC(=O)C=1)OC1CC(O)C(OC2CC(O)C(OC3CC(O)C(O)C(C)O3)C(C)O2)C(C)O1,1.476541809027429,Gitaloxin
CC12CCC(CC1CCC1C2CCC2(C)C(CCC21O)C1COC(=O)C=1)OC1CC(O)C(OC2CC(O)C(OC3CC(O)C(O)C(C)O3)C(C)O2)C(C)O1,23.75,1.0,1.0,3.0,764.9500000000003,41.0,13.0,CC12CCC(CC1CCC1C2CCC2(C)C(CCC21O)C1COC(=O)C=1)OC1CC(O)C(OC2CC(O)C(OC3CC(O)C(O)C(C)O3)C(C)O2)C(C)O1,1.3756636139608853,Digitoxin
CC12CCC(CC1OCC1C=CC=CC=1C)(O2)C(C)C,4553.0,4.0,1.0,0.0,274.40399999999994,18.0,2.0,CC12CCC(CC1OCC1C=CC=CC=1C)(O2)C(C)C,3.6582976503081897,Cinmethylin
CC12CCC3C(C)CCC4C(C)C(=O)OC(O1)C43OO2,5576.0,4.0,3.0,0.0,282.33599999999996,15.0,5.0,CC12CCC3C(C)CCC4C(C)C(=O)OC(O1)C43OO2,3.746322765089953,Artemisinin
CC12CCC3C(C1CCC2(C)O)C(CC1=CC(=O)CC(SC(C)=O)C13C)SC(C)=O,10000.0,4.0,0.0,0.0,450.66600000000034,24.0,4.0,CC12CCC3C(C1CCC2(C)O)C(CC1=CC(=O)CC(SC(C)=O)C13C)SC(C)=O,4.0,Tiomesterone
CC12CCC3C(C1CCC2(O)CCC(O)=O)C1CC1C1=CC(=O)CCC13C,1397.0,4.0,1.0,0.0,372.50500000000017,23.0,4.0,CC12CCC3C(C1CCC2(O)CCC(O)=O)C1CC1C1=CC(=O)CCC13C,3.1451964061141817,
CC12CCC3C(C=C(C)C4=CC(=O)CCC43)C1CCC2(OC(C)=O)C(C)=O,3500.0,4.0,1.0,0.0,370.4890000000002,23.0,4.0,CC12CCC3C(C=C(C)C4=CC(=O)CCC43)C1CCC2(OC(C)=O)C(C)=O,3.5440680443502757,Nomegestrol acetate
CC12CCC3C(C=C(Cl)C4=CC(=O)C5CC5C43C)C1CCC2(OC(C)=O)C(C)=O,7500.0,4.0,1.0,0.0,416.9450000000003,24.0,4.0,CC12CCC3C(C=C(Cl)C4=CC(=O)C5CC5C43C)C1CCC2(OC(C)=O)C(C)=O,3.8750612633917,Cyproterone acetate
CC12CCC3C(C=C(Cl)C4=CC(=O)CCC43C)C1CCC2(OC(C)=O)C(C)=O,7750.0,4.0,1.0,0.0,404.9340000000003,23.0,4.0,CC12CCC3C(C=C(Cl)C4=CC(=O)CCC43C)C1CCC2(OC(C)=O)C(C)=O,3.88930170250631,Chlormadinone acetate
CC12CCC3C(C=CC4=CC(=O)CCC43C)C1CCC12CCC(=O)O1,7500.0,4.0,2.0,0.0,340.46300000000014,22.0,3.0,CC12CCC3C(C=CC4=CC(=O)CCC43C)C1CCC12CCC(=O)O1,3.8750612633917,Canrenone
CC12CCC3C(CC=C4CC(O)CCC43C)C1CCC2=O,10000.0,4.0,2.0,0.0,288.43100000000004,19.0,2.0,CC12CCC3C(CC=C4CC(O)CCC43C)C1CCC2=O,4.0,Dehydroepiandrosterone
CC12CCC3C(CCC4(O)CC(CCC43C=O)OC(=O)C=C(C)C)C1(O)CCC2c1coc(=O)cc1,1.74,1.0,0.0,0.0,498.6160000000003,29.0,7.0,CC12CCC3C(CCC4(O)CC(CCC43C=O)OC(=O)C=C(C)C)C1(O)CCC2c1coc(=O)cc1,0.24054924828259971,
CC12CCC3C(CCC4=CC(=CC=C43)OC(=O)N(CCCl)CCCl)C1CCC2OP(O)(O)=O,5400.0,3.0,0.0,2.0,520.3900000000002,23.0,6.0,CC12CCC3C(CCC4=CC(=CC=C43)OC(=O)N(CCCl)CCCl)C1CCC2OP(O)(O)=O,3.7323937598229686,Estramustine phosphate sodium
CC12CCC3C(CCC4=CC(=O)C=CC43C)C1CCC2(C)O,1000.0,4.0,2.0,0.0,300.442,20.0,2.0,CC12CCC3C(CCC4=CC(=O)C=CC43C)C1CCC2(C)O,3.0,Methandrostenolone
CC12CCC3C(CCC4=CC(=O)CCC43C)C1CCC2(C)O,2500.0,4.0,2.0,0.0,302.458,20.0,2.0,CC12CCC3C(CCC4=CC(=O)CCC43C)C1CCC2(C)O,3.3979400086720375,17-Methyltestosterone
CC12CCC3C(CCC4=CC(=O)CCC43C)C1CCC2(O)C#C,3500.0,4.0,2.0,0.0,312.4530000000001,21.0,2.0,CC12CCC3C(CCC4=CC(=O)CCC43C)C1CCC2(O)C#C,3.5440680443502757,Ethisterone
CC12CCC3C(CCC4=CC(O)=CC=C43)C1CCC2O,7500.0,4.0,2.0,0.0,272.3879999999999,18.0,2.0,CC12CCC3C(CCC4=CC(O)=CC=C43)C1CCC2O,3.8750612633917,17beta-Estradiol
CC12CCC3C(CCC4=CC(O)=CC=C43)C1CCC2OC(=O)COC(=O)CCCC1C=CC(=CC=1)N(CCCl)CCCl,682.0,0.0,0.0,2.0,616.6260000000002,34.0,5.0,CC12CCC3C(CCC4=CC(O)=CC=C43)C1CCC2OC(=O)COC(=O)CCCC1C=CC(=CC=1)N(CCCl)CCCl,2.833784374656479,
CC12CCC3C(CCC4=CC5ON=CC=5CC43C)C1CCC2(O)C#C,10001.0,4.0,2.0,0.0,337.46300000000014,22.0,2.0,CC12CCC3C(CCC4=CC5ON=CC=5CC43C)C1CCC2(O)C#C,4.000043427276863,Danazol
CC12CCC3C(CCC4C=C(C=CC=43)OC)C1CCC2(O)C#C,10000.0,4.0,2.0,0.0,310.4370000000001,21.0,2.0,CC12CCC3C(CCC4C=C(C=CC=43)OC)C1CCC2(O)C#C,4.0,Mestranol
CC12CCC3C(CCC4C=C(O)C=CC=43)C1CC(O)C2O,3500.0,4.0,3.0,0.0,288.38699999999994,18.0,3.0,CC12CCC3C(CCC4C=C(O)C=CC=43)C1CC(O)C2O,3.5440680443502757,Estriol
CC12CCC3C(CCC4C=C(O)C=CC=43)C1CCC2(O)C#C,1140.0,4.0,2.0,0.0,296.4100000000001,20.0,2.0,CC12CCC3C(CCC4C=C(O)C=CC=43)C1CCC2(O)C#C,3.0569048513364727,17alpha-Ethinylestradiol
CC12CCC3C(CCC4C=C(O)C=CC=43)C1CCC2=O,3500.0,4.0,2.0,0.0,270.37199999999996,18.0,2.0,CC12CCC3C(CCC4C=C(O)C=CC=43)C1CCC2=O,3.5440680443502757,Estrone
CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2(C)O,3000.0,4.0,2.0,0.0,304.47400000000005,20.0,2.0,CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2(C)O,3.4771212547196626,Mestanolone
CC12CCC3C(CCC4CC(=O)CCC=43)C1CCC2O,3500.0,4.0,2.0,0.0,274.40400000000005,18.0,2.0,CC12CCC3C(CCC4CC(=O)CCC=43)C1CCC2O,3.5440680443502757,17-Hydroxy-estr-5(10)-en-3-one
CC12CCC3C(CCC4CC(=O)OCC43C)C1CCC2(C)O,10000.0,4.0,2.0,0.0,306.446,19.0,3.0,CC12CCC3C(CCC4CC(=O)OCC43C)C1CCC2(C)O,4.0,Oxandrolone
CC12CCC3C(CCC4CC(OC(C)=O)C(CC43C)N3CCCCC3)C1CC(C2OC(C)=O)[N+]1(C)CCCCC1,455.0,0.0,0.0,2.0,557.8400000000003,34.0,4.0,CC12CCC3C(CCC4CC(OC(C)=O)C(CC43C)N3CCCCC3)C1CC(C2OC(C)=O)[N+]1(C)CCCCC1,2.6580113966571126,Vecuronium
CC12CCC3C(CCC4CC(OC(C)=O)C(CC43C)[N+]3(C)CCCCC3)C1CC(C2OC(C)=O)[N+]1(C)CCCCC1,202.0,0.0,0.0,2.0,572.8750000000001,35.0,4.0,CC12CCC3C(CCC4CC(OC(C)=O)C(CC43C)[N+]3(C)CCCCC3)C1CC(C2OC(C)=O)[N+]1(C)CCCCC1,2.305351369446624,Pancuronium
CC12CCC3C(CCC4CC5=NON=C5CC43C)C1CCC2(C)O,4000.0,4.0,2.0,0.0,330.4720000000001,20.0,2.0,CC12CCC3C(CCC4CC5=NON=C5CC43C)C1CCC2(C)O,3.6020599913279625,Furazabol
CC12CCC3C(CCC4CC5OC5CC43C)C1CC(C2=O)N1CCCC1,2751.0,4.0,1.0,0.0,357.5380000000002,23.0,2.0,CC12CCC3C(CCC4CC5OC5CC43C)C1CC(C2=O)N1CCCC1,3.4394905903896835,"(2alpha,3alpha,8xi,9xi,14xi,16beta)-16-(Pyrrolidin-1-yl)-2,3-epoxyandrostan-17-one"
CC12CCC3C4CCC(C=C4CCC3C1CCC2OC(=O)CC)OC(=O)CC,3500.0,4.0,1.0,1.0,388.54800000000023,24.0,4.0,CC12CCC3C4CCC(C=C4CCC3C1CCC2OC(=O)CC)OC(=O)CC,3.5440680443502757,Bolandiol dipropionate
CC12CCCC(C)(CC1)C2N=O,730.0,4.0,2.0,0.0,167.252,10.0,1.0,CC12CCCC(C)(CC1)C2N=O,2.863322860120456,"1,5-Dimethylbicyclo[3.2.1]octan-8-one oxime"
CC12CCCCCC(CC3C=CC(O)=CC1=3)C2N,243.0,4.0,2.0,0.0,245.366,16.0,1.0,CC12CCCCCC(CC3C=CC(O)=CC1=3)C2N,2.385606273598312,Dezocine
CC12OC1C1C=CCC(C)C=C(C)C(O)C(=O)C=CC(=O)C31C(C(CC1=CNC4=CC=CC=C41)NC3=O)C2C,400.0,1.0,1.0,1.0,528.6490000000002,32.0,5.0,CC12OC1C1C=CCC(C)C=C(C)C(O)C(=O)C=CC(=O)C31C(C(CC1=CNC4=CC=CC=C41)NC3=O)C2C,2.6020599913279625,Chaetoglobosin A
CC12OC3=C(C1=O)C1=C(C(=O)C(=NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(C=CO2)OC)C2NC4(CCN(CC(C)C)CC4)N=C12)C(O)=C3C,7500.0,1.0,0.0,3.0,847.0190000000003,46.0,11.0,CC12OC3=C(C1=O)C1=C(C(=O)C(=NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(C=CO2)OC)C2NC4(CCN(CC(C)C)CC4)N=C12)C(O)=C3C,3.8750612633917,Rifabutin
CC1=C(C(=O)N(C2C=CC=CC=2)N1C)N(C)CS(O)(=O)=O,3000.0,4.0,2.0,0.0,311.36300000000006,13.0,4.0,CC1=C(C(=O)N(C2C=CC=CC=2)N1C)N(C)CS(O)(=O)=O,3.4771212547196626,Dipyrone monohydrate
CC1=C(C(C)=C(C(=C1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O)[N+]([O-])=O,10000.0,4.0,3.0,0.0,297.267,12.0,6.0,CC1=C(C(C)=C(C(=C1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O)[N+]([O-])=O,4.0,"2,4,6-Trinitro-1,3-dimethyl-5-tert-butylbenzene"
CC1=C(C(C)O)C2=CC3=NC(=CC4NC(C=C5N=C(C=C1N2)C(C)=C5CCC(O)=O)=C(CCC(O)=O)C=4C)C(C(C)O)=C3C,3000.0,0.0,0.0,2.0,598.7000000000002,34.0,6.0,CC1=C(C(C)O)C2=CC3=NC(=CC4NC(C=C5N=C(C=C1N2)C(C)=C5CCC(O)=O)=C(CCC(O)=O)C=4C)C(C(C)O)=C3C,3.4771212547196626,"21H,23H-Porphine-2,18-dipropanoic acid, 7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-, hydrochloride (1:2)"
CC1=C(C)S(=O)(=O)CCS1(=O)=O,988.0,4.0,2.0,0.0,210.27599999999995,6.0,4.0,CC1=C(C)S(=O)(=O)CCS1(=O)=O,2.9947569445876283,Dimethipin
CC1=C(C2C(=O)CC(C)(C)CC2=O)C2=C(CC(C)(C)CC2=O)N1C1C=CC=CC=1,3000.0,4.0,1.0,0.0,391.5110000000002,25.0,3.0,CC1=C(C2C(=O)CC(C)(C)CC2=O)C2=C(CC(C)(C)CC2=O)N1C1C=CC=CC=1,3.4771212547196626,CGI 14600
CC1=C(C=C(C=C1C)NC1C=C(C(N)=C2C=1C(=O)C1=CC=CC=C1C2=O)S(O)(=O)=O)S(=O)(=O)NCCO,6162.0,2.0,1.0,1.0,545.5950000000003,24.0,8.0,CC1=C(C=C(C=C1C)NC1C=C(C(N)=C2C=1C(=O)C1=CC=CC=C1C2=O)S(O)(=O)=O)S(=O)(=O)NCCO,3.7897216939809217,"2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[3-[[(2-hydroxyethyl)amino]sulfonyl]-4,5-dimethylphenyl]amino]-9,10-dioxo-, sodium salt (1:1)"
CC1=C(C=CC(CCOCC)=C1C)OCC/N=C1/NC=NC(CC)=C/1Cl,115.0,4.0,0.0,0.0,377.91600000000017,20.0,2.0,CC1=C(C=CC(CCOCC)=C1C)OCC/N=C1/NC=NC(CC)=C/1Cl,2.060697840353612,Pyrimidifen
CC1=C(C=CC=C1C)[N+]([O-])=O,2245.0,3.0,2.0,0.0,151.165,8.0,2.0,CC1=C(C=CC=C1C)[N+]([O-])=O,3.351216345339342,"1,2-Dimethyl-3-nitrobenzene"
CC1=C(C=CN=C1CS(=O)C1NC2=CC=CC=C2N=1)OCC(F)(F)F,7500.0,4.0,1.0,0.0,369.3680000000001,16.0,2.0,CC1=C(C=CN=C1CS(=O)C1NC2=CC=CC=C2N=1)OCC(F)(F)F,3.8750612633917,Lansoprazole
CC1=C(CC(=O)NO)C2C=C(C=CC=2N1C(=O)C1C=CC(Cl)=CC=1)OC,78.0,4.0,2.0,0.0,372.8080000000001,19.0,4.0,CC1=C(CC(=O)NO)C2C=C(C=CC=2N1C(=O)C1C=CC(Cl)=CC=1)OC,1.8920946026904804,Oxametacin
CC1=C(CC(=O)OC2=CC=CC=C2C(O)=O)C2C=C(C=CC=2N1C(=O)C1C=CC(Cl)=CC=1)OC,59.5,4.0,0.0,1.0,477.9000000000002,26.0,6.0,CC1=C(CC(=O)OC2=CC=CC=C2C(O)=O)C2C=C(C=CC=2N1C(=O)C1C=CC(Cl)=CC=1)OC,1.7745169657285496,Indomethacin salicylate
CC1=C(CC(=O)OC2C=CC=CC=2C(=O)OC2C=CC=CC=2C(O)=O)C2=CC(=CC=C2N1C(=O)C1C=CC(Cl)=CC=1)OC,63.0,1.0,0.0,2.0,598.0070000000003,33.0,8.0,CC1=C(CC(=O)OC2C=CC=CC=2C(=O)OC2C=CC=CC=2C(O)=O)C2=CC(=CC=C2N1C(=O)C1C=CC(Cl)=CC=1)OC,1.7993405494535817,"1H-Indole-3-acetic acid, 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-, 2-[(2-carboxyphenoxy)carbonyl]phenyl ester"
CC1=C(CC(=O)OCC(O)=O)C2=CC(=CC=C2N1C(=O)C1C=CC(Cl)=CC=1)OC,24.2,4.0,1.0,0.0,415.82900000000006,21.0,6.0,CC1=C(CC(=O)OCC(O)=O)C2=CC(=CC=C2N1C(=O)C1C=CC(Cl)=CC=1)OC,1.3838153659804313,Acemetacin
CC1=C(CC(O)=O)C2=C(CC(C)(C)CC2=O)N1CCCC,3000.0,4.0,2.0,0.0,291.391,17.0,3.0,CC1=C(CC(O)=O)C2=C(CC(C)(C)CC2=O)N1CCCC,3.4771212547196626,C 8778-GO
CC1=C(CC(O)=O)C2=CC=CC=C2N1C(=O)C1C=CC=CC=1,362.0,4.0,3.0,0.0,293.322,18.0,3.0,CC1=C(CC(O)=O)C2=CC=CC=C2N1C(=O)C1C=CC=CC=1,2.558708570533166,Delmetacin
CC1=C(CC(O)=O)C2C=C(C=CC=2N1C(=O)C1C=CC(Cl)=CC=1)OC,6.0,4.0,1.0,0.0,357.793,19.0,4.0,CC1=C(CC(O)=O)C2C=C(C=CC=2N1C(=O)C1C=CC(Cl)=CC=1)OC,0.7781512503836436,Indomethacin
CC1=C(CCOP(O)(O)=O)SC=[N+]1CC1=CN=C(C)N=C1N,3710.0,4.0,2.0,0.0,345.34100000000007,12.0,4.0,CC1=C(CCOP(O)(O)=O)SC=[N+]1CC1=CN=C(C)N=C1N,3.569373909615046,Monophosphothiamine parent
CC1=C(Cl)C(=O)OC2=CC(=CC=C21)OP(=O)(OCCCl)OCCCl,900.0,4.0,0.0,0.0,415.5930000000002,14.0,6.0,CC1=C(Cl)C(=O)OC2=CC(=CC=C21)OP(=O)(OCCCl)OCCCl,2.9542425094393248,Haloxon
CC1=C(Cl)C=CC=C1NC1C=CC=CC=1C(O)=O,225.0,4.0,2.0,0.0,261.70799999999997,14.0,2.0,CC1=C(Cl)C=CC=C1NC1C=CC=CC=1C(O)=O,2.3521825181113627,Tolfenamic acid
CC1=C(N)C=CC=C1C,931.0,3.0,2.0,0.0,121.183,8.0,0.0,CC1=C(N)C=CC=C1C,2.9689496809813427,"2,3-Dimethylaniline"
CC1=C(N)C=CC=C1Cl,681.0,2.0,2.0,0.0,141.60099999999997,7.0,0.0,CC1=C(N)C=CC=C1Cl,2.833147111912785,"Benzenamine, 3-chloro-2-methyl-, hydrochloride"
CC1=C(N)N=C(C)C2=C1NC1C=CC=CC=12,100.0,4.0,2.0,0.0,211.268,13.0,0.0,CC1=C(N)N=C(C)C2=C1NC1C=CC=CC=12,2.0,Trp-P-1
CC1=C(N=NN1C1C=CC=CC=1)C(=O)N(CC)CC,500.0,4.0,3.0,0.0,258.325,14.0,1.0,CC1=C(N=NN1C1C=CC=CC=1)C(=O)N(CC)CC,2.6989700043360187,"1,2,3-Triazole-4-carboxamide, N,N-diethyl-5-methyl-1-phenyl-"
CC1=C(NC2C=C(C(N)=C3C=2C(=O)C2=CC=CC=C2C3=O)S(O)(=O)=O)C(C)=C(CNC(=O)CCl)C(C)=C1CNC(=O)CCl,6000.0,1.0,0.0,1.0,647.537,29.0,7.0,CC1=C(NC2C=C(C(N)=C3C=2C(=O)C2=CC=CC=C2C3=O)S(O)(=O)=O)C(C)=C(CNC(=O)CCl)C(C)=C1CNC(=O)CCl,3.7781512503836434,"2-Anthracenesulfonic acid, 1-amino-4-[[3,5-bis[[(2-chloroacetyl)amino]methyl]-2,4,6-trimethylphenyl]amino]-9,10-dihydro-9,10-dioxo-, sodium salt (1:1)"
CC1=C(NS(=O)(=O)C2C=CC(N)=CC=2)ON=C1C,10000.0,4.0,3.0,0.0,267.31,11.0,3.0,CC1=C(NS(=O)(=O)C2C=CC(N)=CC=2)ON=C1C,4.0,Sulfisoxazole
CC1=C(O)C(C)=C2CCC(C)(COC3=CC=C(CC4SC(=O)NC4=O)C=C3)OC2=C1C,7500.0,4.0,0.0,0.0,441.54900000000015,24.0,5.0,CC1=C(O)C(C)=C2CCC(C)(COC3=CC=C(CC4SC(=O)NC4=O)C=C3)OC2=C1C,3.8750612633917,Troglitazone
CC1=C(OC2=C(C=CC=C2C(=O)OCCN2CCCCC2)C1=O)C1C=CC=CC=1,1040.0,4.0,1.0,0.0,391.46700000000016,24.0,4.0,CC1=C(OC2=C(C=CC=C2C(=O)OCCN2CCCCC2)C1=O)C1C=CC=CC=1,3.0170333392987803,Flavoxate hydrochloride
CC1=C(SC(N=NC2=C(NCCCOC)N=C(NCCCOC)C(C#N)=C2C)=C1C#N)C(=O)OC,10000.0,2.0,0.0,2.0,499.5970000000003,23.0,4.0,CC1=C(SC(N=NC2=C(NCCCOC)N=C(NCCCOC)C(C#N)=C2C)=C1C#N)C(=O)OC,4.0,"2-Thiophenecarboxylic acid, 4-cyano-5-[[5-cyano-2,6-bis[(3-methoxypropyl)amino]-4-methyl-3-pyridinyl]azo]-3-methyl-, methyl ester"
CC1=C2N=C(NC2=C(Cl)C(Br)=C1Cl)C(F)(F)F,18.26,4.0,2.0,0.0,347.949,9.0,0.0,CC1=C2N=C(NC2=C(Cl)C(Br)=C1Cl)C(F)(F)F,1.2615007731982801,"Benzimidazole, 6-bromo-5,7-dichloro-4-methyl-2-(trifluoromethyl)-"
CC1=CC(=C(C)C=C1)[N+]([O-])=O,2440.0,3.0,2.0,0.0,151.16500000000002,8.0,2.0,CC1=CC(=C(C)C=C1)[N+]([O-])=O,3.387389826338729,"1,4-Dimethyl-2-nitrobenzene"
CC1=CC(=C(C=C1)N=NC1=C2C=CC=CC2=CC(=C1O)C(O)=O)S(O)(=O)=O,6376.0,4.0,1.0,0.0,386.38500000000016,18.0,6.0,CC1=CC(=C(C=C1)N=NC1=C2C=CC=CC2=CC(=C1O)C(O)=O)S(O)(=O)=O,3.804548308388056,"2-Naphthalenecarboxylic acid, 3-hydroxy-4-[2-(4-methyl-2-sulfophenyl)diazenyl]-, strontium salt (1:1)"
CC1=CC(=C(C=C1)N=NC1C(O)=CC=C2C=CC=CC2=1)[N+]([O-])=O,10000.0,4.0,2.0,1.0,307.3090000000001,17.0,3.0,CC1=CC(=C(C=C1)N=NC1C(O)=CC=C2C=CC=CC2=1)[N+]([O-])=O,4.0,C.I. Pigment Red 3
CC1=CC(=C(C=C1)NC1=CC=C(NC2C=CC(C)=CC=2S(O)(=O)=O)C2=C1C(=O)C1=CC=CC=C1C2=O)S(O)(=O)=O,6810.0,2.0,0.0,2.0,578.6240000000004,28.0,8.0,CC1=CC(=C(C=C1)NC1=CC=C(NC2C=CC(C)=CC=2S(O)(=O)=O)C2=C1C(=O)C1=CC=CC=C1C2=O)S(O)(=O)=O,3.833147111912785,D&C Green 5
CC1=CC(=C(O)C=C1)N1N=C2C=CC=CC2=N1,10000.0,4.0,2.0,0.0,225.25100000000003,13.0,1.0,CC1=CC(=C(O)C=C1)N1N=C2C=CC=CC2=N1,4.0,2-(2H-Benzotriazol-2-yl)-4-methylphenol
CC1=CC(=C(O)C=C1)[N+]([O-])=O,3360.0,1.0,2.0,0.0,153.137,7.0,3.0,CC1=CC(=C(O)C=C1)[N+]([O-])=O,3.526339277389844,4-Methyl-2-nitrophenol
CC1=CC(=C(O)C=C1C)C(C)(C)C,1030.0,4.0,2.0,0.0,178.27499999999998,12.0,1.0,CC1=CC(=C(O)C=C1C)C(C)(C)C,3.012837224705172,"3,4-Xylenol, 6-tert-butyl-"
CC1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O,26.0,4.0,2.0,0.0,198.134,7.0,5.0,CC1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O,1.414973347970818,"Sodium 4,6-dinitro-2-methylphenolate"
CC1=CC(=CC(=O)N1C)OP(=S)(OC)OC,0.81,4.0,2.0,0.0,263.25499999999994,9.0,4.0,CC1=CC(=CC(=O)N1C)OP(=S)(OC)OC,-0.09151498112135022,"Phosphorothioic acid, O-(1,2-dihydro-1,6-dimethyl-2-oxo-4-pyridinyl) O,O-dimethyl ester"
CC1=CC(=CC(C)=C1)C(=O)Cl,3934.0,4.0,2.0,0.0,168.623,9.0,1.0,CC1=CC(=CC(C)=C1)C(=O)Cl,3.594834355583318,"Benzoyl chloride, 3,5-dimethyl-"
CC1=CC(=CC(C)=C1)OC(=O)NC,357.0,4.0,2.0,0.0,179.219,10.0,2.0,CC1=CC(=CC(C)=C1)OC(=O)NC,2.552668216112193,XMC
CC1=CC(=CC(C)=C1)OCC1CNC(=O)O1,775.0,4.0,2.0,0.0,221.256,12.0,3.0,CC1=CC(=CC(C)=C1)OCC1CNC(=O)O1,2.88930170250631,Metaxalone
CC1=CC(=CC(C)=C1CC#N)C(C)(C)C,3500.0,4.0,1.0,0.0,201.31299999999996,14.0,0.0,CC1=CC(=CC(C)=C1CC#N)C(C)(C)C,3.5440680443502757,"Benzeneacetonitrile, 4-(1,1-dimethylethyl)-2,6-dimethyl-"
CC1=CC(=CC2NC(CCC)=NC1=2)C1=NC2=CC=CC=C2N1C,3500.0,4.0,2.0,0.0,304.39700000000005,19.0,0.0,CC1=CC(=CC2NC(CCC)=NC1=2)C1=NC2=CC=CC=C2N1C,3.5440680443502757,4-Methyl-6-(1-methyl-1H-benzimidazol-2-yl)-2-propyl-1H-benzimidazole
CC1=CC(=CC2SC(=O)NC1=2)OCC,4000.0,4.0,2.0,0.0,209.27,10.0,2.0,CC1=CC(=CC2SC(=O)NC1=2)OCC,3.6020599913279625,"2(3H)-Benzothiazolone, 6-ethoxy-4-methyl-"
CC1=CC(=CC=C1)/N=C(O)/C1C=NC(=N)S1,1410.0,4.0,2.0,0.0,233.29600000000005,11.0,1.0,CC1=CC(=CC=C1)/N=C(O)/C1C=NC(=N)S1,3.1492191126553797,
CC1=CC(=CC=C1)C#N,3000.0,1.0,2.0,0.0,117.151,8.0,0.0,CC1=CC(=CC=C1)C#N,3.4771212547196626,3-Methylbenzonitrile
CC1=CC(=CC=C1)C(=O)Cl,3440.0,2.0,2.0,0.0,154.596,8.0,1.0,CC1=CC(=CC=C1)C(=O)Cl,3.53655844257153,"Benzoyl chloride, 3-methyl-"
CC1=CC(=CC=C1)N(C1C=CC=CC=1)C1C=CC(=CC=1)C1C=CC(=CC=1)N(C1C=CC=CC=1)C1C=C(C)C=CC=1,7500.0,0.0,0.0,2.0,516.6880000000002,38.0,0.0,CC1=CC(=CC=C1)N(C1C=CC=CC=1)C1C=CC(=CC=1)C1C=CC(=CC=1)N(C1C=CC=CC=1)C1C=C(C)C=CC=1,3.8750612633917,"[1,1'-Biphenyl]-4,4'-diamine, N,N'-bis(3-methylphenyl)-N,N'-diphenyl-"
CC1=CC(=CC=C1)N=C=O,2877.0,1.0,2.0,0.0,133.15,8.0,1.0,CC1=CC(=CC=C1)N=C=O,3.458939861890326,"Benzene, 1-isocyanato-3-methyl-"
CC1=CC(=CC=C1)NC(=O)C1=CC=CC=C1C(O)=O,5230.0,4.0,3.0,0.0,255.273,15.0,3.0,CC1=CC(=CC=C1)NC(=O)C1=CC=CC=C1C(O)=O,3.718501688867274,3'-Methylphthalanilic acid
CC1=CC(=CC=C1)[N+]([O-])=O,1689.0,1.0,2.0,0.0,137.138,7.0,2.0,CC1=CC(=CC=C1)[N+]([O-])=O,3.227629649571009,3-Nitrotoluene
CC1=CC(=CC=C1C(=C1C=CC(C=C1C)=[N+](CC1C=C(C=CC=1)S(O)(=O)=O)CC)C1C=CC(=CC=1)NC1C=CC(=CC=1)OCC)N(CC1C=C(C=CC=1)S(O)(=O)=O)CC,6251.0,0.0,0.0,2.0,833.065,47.0,7.0,CC1=CC(=CC=C1C(=C1C=CC(C=C1C)=[N+](CC1C=C(C=CC=1)S(O)(=O)=O)CC)C1C=CC(=CC=1)NC1C=CC(=CC=1)OCC)N(CC1C=C(C=CC=1)S(O)(=O)=O)CC,3.7959494989028033,C.I. Acid Blue 90
CC1=CC(=CC=C1C)[N+]([O-])=O,2636.0,3.0,2.0,0.0,151.165,8.0,2.0,CC1=CC(=CC=C1C)[N+]([O-])=O,3.420945405921972,"1,2-Dimethyl-4-nitrobenzene"
CC1=CC(=CC=C1C=C1C(=C(C#N)C#N)C2=CC=CC=C2S1(=O)=O)N(CCCCCC)CCCCCC,3500.0,0.0,0.0,2.0,515.7230000000003,31.0,2.0,CC1=CC(=CC=C1C=C1C(=C(C#N)C#N)C2=CC=CC=C2S1(=O)=O)N(CCCCCC)CCCCCC,3.5440680443502757,CERAPP_45906
CC1=CC(=CC=C1N)N(CC)CC,200.0,4.0,2.0,0.0,178.27899999999997,11.0,0.0,CC1=CC(=CC=C1N)N(CC)CC,2.3010299956639813,"1,4-Benzenediamine, N4,N4-diethyl-2-methyl-, hydrochloride (1:2)"
CC1=CC(=CC=C1N=CN(C)C)OC(=O)NC,7.2,4.0,2.0,0.0,235.287,12.0,2.0,CC1=CC(=CC=C1N=CN(C)C)OC(=O)NC,0.8573324964312685,Formparanate
CC1=CC(=CC=C1N=NC1=C(O)C=CC2C=CC=CC=21)N=NC1=CC=CC=C1C,3575.0,3.0,1.0,1.0,380.45100000000014,24.0,1.0,CC1=CC(=CC=C1N=NC1=C(O)C=CC2C=CC=CC=21)N=NC1=CC=CC=C1C,3.5532760461370994,C.I. Solvent Red 24
CC1=CC(=CC=C1N=NC1=NC(=NS1)C1C=CC=CC=1)N(CC[N+](C)(C)C)CC,1067.0,4.0,0.0,1.0,409.5830000000001,22.0,0.0,CC1=CC(=CC=C1N=NC1=NC(=NS1)C1C=CC=CC=1)N(CC[N+](C)(C)C)CC,3.0281644194244697,"Ethanaminium, 2-[ethyl[3-methyl-4-[2-(3-phenyl-1,2,4-thiadiazol-5-yl)diazenyl]phenyl]amino]-N,N,N-trimethyl-, methyl sulfate (1:1)"
CC1=CC(=CC=C1N=NC1=NC2C=CC(=CC=2S1)S(C)(=O)=O)N(CCC#N)CC,400.0,4.0,0.0,1.0,427.5550000000002,20.0,2.0,CC1=CC(=CC=C1N=NC1=NC2C=CC(=CC=2S1)S(C)(=O)=O)N(CCC#N)CC,2.6020599913279625,Disperse Red 88
CC1=CC(=CC=C1NC1C=CC=CC=1)OC,5000.0,4.0,1.0,0.0,213.28,14.0,1.0,CC1=CC(=CC=C1NC1C=CC=CC=1)OC,3.6989700043360187,4-Methoxy-2-methyl-N-phenylaniline
CC1=CC(=CC=C1NS(=O)(=O)C(F)(F)F)S(=O)(=O)C1C=CC=CC=1,633.0,4.0,2.0,0.0,379.3810000000001,14.0,4.0,CC1=CC(=CC=C1NS(=O)(=O)C(F)(F)F)S(=O)(=O)C1C=CC=CC=1,2.801403710017355,Perfluidone
CC1=CC(=CC=C1OC)C1(N=C(O)N=C1O)C1C=CC(=CC=1)OC,7500.0,4.0,3.0,0.0,326.35200000000003,18.0,4.0,CC1=CC(=CC=C1OC)C1(N=C(O)N=C1O)C1C=CC(=CC=1)OC,3.8750612633917,
CC1=CC(=CC=C1S(C)=O)OP(C)(=S)OC,3.0,4.0,2.0,0.0,278.335,10.0,3.0,CC1=CC(=CC=C1S(C)=O)OP(C)(=S)OC,0.47712125471966244,
CC1=CC(=CC=C1SC)OC(=O)NC,50.0,4.0,2.0,0.0,211.28599999999997,10.0,2.0,CC1=CC(=CC=C1SC)OC(=O)NC,1.6989700043360187,3-Methyl-4-(methylthio)phenyl methylcarbamate
CC1=CC(=CC=C1SC)OP(=O)(NC(C)C)OCC,5.0,4.0,1.0,0.0,303.36400000000003,13.0,3.0,CC1=CC(=CC=C1SC)OP(=O)(NC(C)C)OCC,0.6989700043360189,Fenamiphos
CC1=CC(=CC=C1SC)OP(=O)(OCC)OCC,9.0,4.0,1.0,0.0,290.321,12.0,4.0,CC1=CC(=CC=C1SC)OP(=O)(OCC)OCC,0.9542425094393249,"O,O-DIET-O-(3-ME-4-SMEPH)P=O"
CC1=CC(=CC=C1[N+]([O-])=O)OP(=S)(OC)OC,482.0,4.0,2.0,0.0,277.238,9.0,5.0,CC1=CC(=CC=C1[N+]([O-])=O)OP(=S)(OC)OC,2.6830470382388496,Fenitrothion
CC1=CC(=CC=C1[N+]([O-])=O)[N+]([O-])=O,612.0,3.0,2.0,0.0,182.135,7.0,4.0,CC1=CC(=CC=C1[N+]([O-])=O)[N+]([O-])=O,2.7867514221455614,"2,5-Dinitrotoluene"
CC1=CC(=NC(=N1)C(C)C)OP(=S)(OCC)OCC,233.0,4.0,1.0,0.0,304.35200000000003,12.0,3.0,CC1=CC(=NC(=N1)C(C)C)OP(=S)(OCC)OCC,2.367355921026019,Diazinon
CC1=CC(=NC(=N1)N(C)C)OP(=S)(OCC)OCC,125.0,4.0,2.0,0.0,305.34000000000003,11.0,3.0,CC1=CC(=NC(=N1)N(C)C)OP(=S)(OCC)OCC,2.0969100130080562,Pyrimitate
CC1=CC(=NC(=N1)SCC)OP(=O)(CC)OCC,50.0,4.0,1.0,0.0,290.32500000000005,11.0,3.0,CC1=CC(=NC(=N1)SCC)OP(=O)(CC)OCC,1.6989700043360187,
CC1=CC(=NC(CCC)=N1)OC(=O)N(C)C,200.0,4.0,2.0,0.0,223.276,11.0,2.0,CC1=CC(=NC(CCC)=N1)OC(=O)N(C)C,2.3010299956639813,6-Methyl-2-propyl-4-pyrimidinyl dimethylcarbamate
CC1=CC(=NC2=C1C(OC1C=C(C=CC=1)C(F)(F)F)=C(C=C2NC(C)CCCN)OC)OC,416.0,3.0,0.0,1.0,463.5000000000003,24.0,3.0,CC1=CC(=NC2=C1C(OC1C=C(C=CC=1)C(F)(F)F)=C(C=C2NC(C)CCCN)OC)OC,2.6190933306267428,
CC1=CC(=NN1)C1C=CC=CC=1,1800.0,3.0,2.0,0.0,158.204,10.0,0.0,CC1=CC(=NN1)C1C=CC=CC=1,3.255272505103306,"1H-Pyrazole,3-methyl-5-phenyl-"
CC1=CC(=NN1C(=O)N(C)C)OC(=O)N(C)C,91.0,4.0,2.0,0.0,240.263,10.0,3.0,CC1=CC(=NN1C(=O)N(C)C)OC(=O)N(C)C,1.9590413923210936,Dimetilan
CC1=CC(=NO1)C(=O)NCCC1C=CC(=CC=1)S(=O)(=O)NC(=O)NC1CCCCC1,3000.0,4.0,1.0,0.0,434.5180000000003,20.0,5.0,CC1=CC(=NO1)C(=O)NCCC1C=CC(=CC=1)S(=O)(=O)NC(=O)NC1CCCCC1,3.4771212547196626,Glisolamide
CC1=CC(=NO1)C(=O)NCCC1C=CC(=CC=1)S(=O)(=O)NC(=O)NN1CCCCCC1,10000.0,4.0,1.0,0.0,449.5330000000003,20.0,5.0,CC1=CC(=NO1)C(=O)NCCC1C=CC(=CC=1)S(=O)(=O)NC(=O)NN1CCCCCC1,4.0,Glisoxepide
CC1=CC(=NO1)C(=O)NNCC1C=CC=CC=1,280.0,4.0,2.0,0.0,231.255,12.0,2.0,CC1=CC(=NO1)C(=O)NNCC1C=CC=CC=1,2.4471580313422194,Isocarboxazid
CC1=CC(=O)C2C(O)=CC=CC=2C1=O,65.0,4.0,2.0,0.0,188.182,11.0,3.0,CC1=CC(=O)C2C(O)=CC=CC=2C1=O,1.8129133566428555,"1,4-Naphthalenedione, 5-hydroxy-2-methyl-"
CC1=CC(=O)C2C(O1)=C(OC)C1OC=CC=1C=2OC,68.8,4.0,3.0,0.0,260.24499999999995,14.0,5.0,CC1=CC(=O)C2C(O1)=C(OC)C1OC=CC=1C=2OC,1.8375884382355112,Khellin
CC1=CC(=O)C2C(OC)=C3C=COC3=CC=2O1,832.0,4.0,2.0,0.0,230.2189999999999,13.0,4.0,CC1=CC(=O)C2C(OC)=C3C=COC3=CC=2O1,2.920123326290724,Visnagin
CC1=CC(=O)CC(C)(C)C1=O,3500.0,3.0,2.0,0.0,152.19299999999998,9.0,2.0,CC1=CC(=O)CC(C)(C)C1=O,3.5440680443502757,"2,6,6-Trimethyl-2-cyclohexene-1,4-dione"
CC1=CC(=O)N(CC2C=C(CN3C(=O)C(C)=CC3=O)C=CC=2)C1=O,2751.0,4.0,3.0,0.0,324.33600000000007,18.0,4.0,CC1=CC(=O)N(CC2C=C(CN3C(=O)C(C)=CC3=O)C=CC=2)C1=O,3.4394905903896835,"1H-Pyrrole-2,5-dione, 1,1'-[1,3-phenylenebis(methylene)]bis[3-methyl-"
CC1=CC(=O)N(CSP(=S)(OC)OC)N=C1Cl,65.0,4.0,2.0,0.0,314.7560000000001,8.0,3.0,CC1=CC(=O)N(CSP(=S)(OC)OC)N=C1Cl,1.8129133566428555,"Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 6-chloro-2-(mercaptomethyl)-5-methyl-3(2H)-pyridazinone"
CC1=CC(=O)NC2C=C(C=CC=21)OCCCN1CCC(CC2C=CC=CC=2)CC1,1000.0,4.0,0.0,0.0,390.5270000000001,25.0,2.0,CC1=CC(=O)NC2C=C(C=CC=21)OCCCN1CCC(CC2C=CC=CC=2)CC1,3.0,"2(1H)-Quinolinone, 4-methyl-7-(3-(4-(phenylmethyl)-1-piperidinyl)propoxy)-"
CC1=CC(=O)NO1,3112.0,1.0,2.0,0.0,99.089,4.0,2.0,CC1=CC(=O)NO1,3.4930395883176515,Hymexazol
CC1=CC(=O)NS(=O)(=O)O1,6839.0,1.0,2.0,0.0,163.154,4.0,4.0,CC1=CC(=O)NS(=O)(=O)O1,3.83499260373303,Acesulfame potassium
CC1=CC(=O)OC1=O,2600.0,1.0,2.0,0.0,112.084,5.0,3.0,CC1=CC(=O)OC1=O,3.4149733479708178,"2,5-Furandione, 3-methyl-"
CC1=CC(=O)OC2=C1C=C(CN(C)C)C(O)=C2CC=C,3500.0,4.0,2.0,0.0,273.332,16.0,3.0,CC1=CC(=O)OC2=C1C=C(CN(C)C)C(O)=C2CC=C,3.5440680443502757,"2H-1-Benzopyran-2-one, 6-((dimethylamino)methyl)-7-hydroxy-4-methyl-8-(2-propenyl)-, hydrochloride"
CC1=CC(=O)OC2=CC(=CC=C12)N(CC)CC,2744.0,4.0,2.0,0.0,231.29499999999996,14.0,2.0,CC1=CC(=O)OC2=CC(=CC=C12)N(CC)CC,3.438384107034714,7-Diethylamino-4-methylcoumarin
CC1=CC(=O)OC2C(CC=C)=C(O)C(CN3CCN(CCO)CC3)=CC=21,3160.0,4.0,1.0,0.0,358.4380000000001,20.0,4.0,CC1=CC(=O)OC2C(CC=C)=C(O)C(CN3CCN(CCO)CC3)=CC=21,3.499687082618404,"2H-1-Benzopyran-2-one, 7-hydroxy-6-((4-(2-hydroxyethyl)-1-piperazinyl)methyl)-4-methyl-8-(2-propenyl)-, dihydrochloride"
CC1=CC(=O)OC2C=C(C=CC1=2)N(CC)CC,1600.0,4.0,2.0,0.0,231.29499999999996,14.0,2.0,CC1=CC(=O)OC2C=C(C=CC1=2)N(CC)CC,3.2041199826559246,"2H-1-Benzopyran-2-one, 7-(diethylamino)-4-methyl-, sulfate (1:1)"
CC1=CC(=O)OC2C=C(O)C=CC=21,3850.0,4.0,2.0,0.0,176.171,10.0,3.0,CC1=CC(=O)OC2C=C(O)C=CC=21,3.5854607295085006,4-Methylumbelliferone hydrate
CC1=CC(C#N)=C(C)C=C1,3000.0,2.0,2.0,0.0,131.17800000000005,9.0,0.0,CC1=CC(C#N)=C(C)C=C1,3.4771212547196626,"Benzonitrile, 2,5-dimethyl-"
CC1=CC(C#N)=C(NC2=CC=CC=C2[N+]([O-])=O)S1,2000.0,4.0,2.0,0.0,259.29,12.0,2.0,CC1=CC(C#N)=C(NC2=CC=CC=C2[N+]([O-])=O)S1,3.3010299956639813,5-Methyl-2-((2-nitrophenyl)amino)-3-thiophenecarbonitrile
CC1=CC(C(C#N)C2C=CC(Cl)=CC=2)=C(Cl)C=C1NC(=O)C1=CC(I)=CC(I)=C1O,262.0,1.0,1.0,2.0,663.0800000000002,22.0,2.0,CC1=CC(C(C#N)C2C=CC(Cl)=CC=2)=C(Cl)C=C1NC(=O)C1=CC(I)=CC(I)=C1O,2.4183012913197452,Closantel
CC1=CC(C)(C)CCC1C(=O)C=CC,3500.0,4.0,1.0,0.0,192.302,13.0,1.0,CC1=CC(C)(C)CCC1C(=O)C=CC,3.5440680443502757,"(E)-1-(2,4,4-Trimethyl-2-cyclohexen-1-yl)-2-buten-1-one"
CC1=CC(C)(C)NC2C=CC(=CC1=2)OCC,1363.0,4.0,1.0,0.0,217.312,14.0,1.0,CC1=CC(C)(C)NC2C=CC(=CC1=2)OCC,3.1344958558346736,Ethoxyquin
CC1=CC(C)(C)NC2C=CC=CC1=2,3500.0,4.0,2.0,0.0,173.259,12.0,0.0,CC1=CC(C)(C)NC2C=CC=CC1=2,3.5440680443502757,"1,2-Dihydro-2,2,4-trimethylquinoline"
CC1=CC(C)=C(C(=O)P(=O)(C2C=CC=CC=2)C(=O)C2C(C)=CC(C)=CC=2C)C(C)=C1,2376.0,3.0,0.0,1.0,418.4730000000001,26.0,3.0,CC1=CC(C)=C(C(=O)P(=O)(C2C=CC=CC=2)C(=O)C2C(C)=CC(C)=CC=2C)C(C)=C1,3.375846436309156,"(Phenylphosphoryl)bis[(2,4,6-trimethylphenyl)methanone]"
CC1=CC(C)=C(C)C=C1,3567.5,3.0,2.0,0.0,120.195,9.0,0.0,CC1=CC(C)=C(C)C=C1,3.5523639817866846,"1,2,4-Trimethylbenzene"
CC1=CC(C)=C(C=C1)N=C1SC=CN1C,725.0,4.0,2.0,0.0,218.325,12.0,0.0,CC1=CC(C)=C(C=C1)N=C1SC=CN1C,2.8603380065709936,Cymiazole
CC1=CC(C)=C(C=C1)N=CN(C)SC1C=CC(Cl)=CC=1,320.0,4.0,2.0,1.0,304.84600000000006,16.0,0.0,CC1=CC(C)=C(C=C1)N=CN(C)SC1C=CC(Cl)=CC=1,2.505149978319906,
CC1=CC(C)=C(C=C1)NS(=O)(=O)C1C=C(N)C=CC=1Cl,7500.0,4.0,3.0,0.0,310.80600000000004,14.0,2.0,CC1=CC(C)=C(C=C1)NS(=O)(=O)C1C=C(N)C=CC=1Cl,3.8750612633917,"Benzenesulfonamide, 5-amino-2-chloro-N-(2,4-dimethylphenyl)-"
CC1=CC(C)=C(C=C1)OP(=O)(OC1C=CC(C)=CC=1C)OC1C=CC(C)=CC=1C,10001.0,3.0,0.0,1.0,410.4500000000002,24.0,4.0,CC1=CC(C)=C(C=C1)OP(=O)(OC1C=CC(C)=CC=1C)OC1C=CC(C)=CC=1C,4.000043427276863,
CC1=CC(C)=C(C=C1)[N+]([O-])=O,1897.0,3.0,2.0,0.0,151.16500000000002,8.0,2.0,CC1=CC(C)=C(C=C1)[N+]([O-])=O,3.2780673308886628,"1,3-Dimethyl-4-nitrobenzene"
CC1=CC(C)=C(C=C1S(O)(=O)=O)N=NC1C=C(C2=CC=CC=C2C=1O)S(O)(=O)=O,3500.0,4.0,0.0,0.0,436.46700000000016,18.0,7.0,CC1=CC(C)=C(C=C1S(O)(=O)=O)N=NC1C=C(C2=CC=CC=C2C=1O)S(O)(=O)=O,3.5440680443502757,FD&C Red 4
CC1=CC(C)=C(N)C(C)=C1N,1150.0,3.0,2.0,0.0,150.225,9.0,0.0,CC1=CC(C)=C(N)C(C)=C1N,3.060697840353612,"1,3-Benzenediamine, 2,4,6-trimethyl-"
CC1=CC(C)=C(N)C=C1,479.0,3.0,2.0,0.0,121.183,8.0,0.0,CC1=CC(C)=C(N)C=C1,2.680335513414563,"2,4-Dimethylaniline"
CC1=CC(C)=C(NC2=CC=C(NC3C(C)=CC(C)=CC=3C)C3=C2C(=O)C2=CC=CC=C2C3=O)C(C)=C1,6251.0,2.0,0.0,1.0,474.6040000000003,32.0,2.0,CC1=CC(C)=C(NC2=CC=C(NC3C(C)=CC(C)=CC=3C)C3=C2C(=O)C2=CC=CC=C2C3=O)C(C)=C1,3.7959494989028033,C.I. Solvent Blue 104
CC1=CC(C)=C(O)C(CCCCC2=CC(C)=CC(C)=C2O)=C1,5500.0,4.0,1.0,0.0,298.426,20.0,2.0,CC1=CC(C)=C(O)C(CCCCC2=CC(C)=CC(C)=C2O)=C1,3.7403626894942437,"2,4-Xylenol, 6,6'-butylidenebis-"
CC1=CC(C)=C(O)C=C1,2956.0,1.0,2.0,0.0,122.167,8.0,1.0,CC1=CC(C)=C(O)C=C1,3.470704429722788,"2,4-Dimethylphenol"
CC1=CC(C)=CC(=C1)N1C(=O)C2C=CC3=C4C=2C(=CC=C4C2=CC=C4C5C2=C3C=CC=5C(=O)N(C2=CC(C)=CC(C)=C2)C4=O)C1=O,10001.0,0.0,1.0,2.0,598.6580000000004,40.0,4.0,CC1=CC(C)=CC(=C1)N1C(=O)C2C=CC3=C4C=2C(=CC=C4C2=CC=C4C5C2=C3C=CC=5C(=O)N(C2=CC(C)=CC(C)=C2)C4=O)C1=O,4.000043427276863,C.I. Pigment Red 149
CC1=CC(C)=CC(OC(=O)NC)=C1C,179.0,4.0,2.0,0.0,193.246,11.0,2.0,CC1=CC(C)=CC(OC(=O)NC)=C1C,2.2528530309798933,"2,3,5-Trimethylphenyl methylcarbamate"
CC1=CC(C)=CC=C1,4493.0,1.0,2.0,0.0,106.168,8.0,0.0,CC1=CC(C)=CC=C1,3.6525364185930256,m-Xylene
CC1=CC(C)=CC=C1N=NC1=C2C=C(C=CC2=CC(=C1O)S(O)(=O)=O)S(O)(=O)=O,10001.0,4.0,0.0,0.0,436.4670000000002,18.0,7.0,CC1=CC(C)=CC=C1N=NC1=C2C=C(C=CC2=CC(=C1O)S(O)(=O)=O)S(O)(=O)=O,4.000043427276863,Ponceau MX
CC1=CC(C)=NC(=N1)SP(=S)(OCC)OCC,59.0,4.0,2.0,0.0,292.36600000000004,10.0,2.0,CC1=CC(C)=NC(=N1)SP(=S)(OCC)OCC,1.7708520116421442,"O,O-Diethyl S-(4,6-dimethyl-2-pyrimidyl) dithiophosphate"
CC1=CC(C)=NC(NC(=O)NS(=O)(=O)C2C=CC=CC=2C(=O)OC2COC2)=N1,7500.0,4.0,2.0,0.0,406.42000000000024,17.0,6.0,CC1=CC(C)=NC(NC(=O)NS(=O)(=O)C2C=CC=CC=2C(=O)OC2COC2)=N1,3.8750612633917,Oxasulfuron
CC1=CC(C)=NN1,1823.0,1.0,2.0,0.0,96.133,5.0,0.0,CC1=CC(C)=NN1,3.2607866686549762,"3,5-Dimethylpyrazole"
CC1=CC(C2CCCCC2)=C(O)C=C1,1871.0,4.0,1.0,0.0,190.28599999999992,13.0,1.0,CC1=CC(C2CCCCC2)=C(O)C=C1,3.27207378750001,"Phenol, 2-cyclohexyl-4-methyl-"
CC1=CC(C=CN1CCN1CCCCC1)=C1C(=O)C2=CC=CC=C2C1=O,390.0,4.0,2.0,0.0,348.44600000000025,22.0,2.0,CC1=CC(C=CN1CCN1CCCCC1)=C1C(=O)C2=CC=CC=C2C1=O,2.591064607026499,"(2-Methyl-1-(2-piperidino-1-ethyl)-2-(1,4-dihydro-4-pyridylidene))-1,3-indenedione"
CC1=CC(CC)=C(NC2C=CC(NC3C(CC)=CC(C)=CC=3CC)=C3C=2C(=O)C2C=CC=CC=2C3=O)C(CC)=C1,10001.0,0.0,0.0,2.0,530.7120000000004,36.0,2.0,CC1=CC(CC)=C(NC2C=CC(NC3C(CC)=CC(C)=CC=3CC)=C3C=2C(=O)C2C=CC=CC=2C3=O)C(CC)=C1,4.000043427276863,"9,10-Anthracenedione, 1,4-bis[(2,6-diethyl-4-methylphenyl)amino]-"
CC1=CC(CC2C=CC=CC=2)=CC(C)=C1,2333.0,4.0,1.0,0.0,196.29300000000003,15.0,0.0,CC1=CC(CC2C=CC=CC=2)=CC(C)=C1,3.3679147387937527,"1,3-Dimethylbenzene, benzylated"
CC1=CC(CN2CCN(CC2)C(C2C=CC=CC=2)C2C=CC(Cl)=CC=2)=CC=C1,1750.0,4.0,1.0,1.0,390.9580000000002,25.0,0.0,CC1=CC(CN2CCN(CC2)C(C2C=CC=CC=2)C2C=CC(Cl)=CC=2)=CC=C1,3.2430380486862944,Meclizine
CC1=CC(CSCCCCCCCC)=CC(CSCCCCCCCC)=C1O,7500.0,1.0,0.0,1.0,424.76000000000033,25.0,1.0,CC1=CC(CSCCCCCCCC)=CC(CSCCCCCCCC)=C1O,3.8750612633917,"2-Methyl-4,6-bis[(octylthio)methyl]phenol"
CC1=CC(Cl)=CC(=C1NC(=O)C1=CC(Br)=NN1C1N=CC=CC=1Cl)C(=O)NC,7500.0,3.0,1.0,0.0,483.153,18.0,2.0,CC1=CC(Cl)=CC(=C1NC(=O)C1=CC(Br)=NN1C1N=CC=CC=1Cl)C(=O)NC,3.8750612633917,Chlorantraniliprole
CC1=CC(Cl)=CC(O)=C1O,1412.0,1.0,2.0,0.0,158.584,7.0,2.0,CC1=CC(Cl)=CC(O)=C1O,3.149834696715785,5-Chloro-3-methylcatechol
CC1=CC(Cl)=CC(SC2C=C(Cl)C=C(C)C=2O)=C1O,1.3,4.0,2.0,1.0,315.22100000000006,14.0,2.0,CC1=CC(Cl)=CC(SC2C=C(Cl)C=C(C)C=2O)=C1O,0.11394335230683679,Chlorbisan
CC1=CC(Cl)=CC2SC(=C3SC4C=C(Cl)C=C(C)C=4C3=O)C(=O)C1=2,10000.0,3.0,1.0,1.0,393.31600000000014,18.0,2.0,CC1=CC(Cl)=CC2SC(=C3SC4C=C(Cl)C=C(C)C=4C3=O)C(=O)C1=2,4.0,D&C Red No. 30
CC1=CC(Cl)=CC=C1N=CN(C)C,215.0,4.0,2.0,0.0,196.681,10.0,0.0,CC1=CC(Cl)=CC=C1N=CN(C)C,2.3324384599156054,Chlordimeform hydrochloride
CC1=CC(Cl)=CC=C1OC(C)C(=O)N(C)C,800.0,4.0,2.0,0.0,241.718,12.0,2.0,CC1=CC(Cl)=CC=C1OC(C)C(=O)N(C)C,2.9030899869919438,
CC1=CC(Cl)=CC=C1OCC(O)=O,800.0,4.0,2.0,0.0,200.621,9.0,3.0,CC1=CC(Cl)=CC=C1OCC(O)=O,2.9030899869919438,Potassium (4-chloro-2-methylphenoxy)acetate
CC1=CC(Cl)=CC=C1OCCCC(O)=O,700.0,4.0,2.0,0.0,228.67499999999995,11.0,3.0,CC1=CC(Cl)=CC=C1OCCCC(O)=O,2.845098040014257,MCPB-sodium
CC1=CC(I)=CC=C1,2296.0,3.0,2.0,0.0,218.037,7.0,0.0,CC1=CC(I)=CC=C1,3.3609718837259357,m-Iodotoluene
CC1=CC(N)=C(C)C=C1,1297.0,3.0,2.0,0.0,121.183,8.0,0.0,CC1=CC(N)=C(C)C=C1,3.11293997608408,"2,5-Dimethylaniline"
CC1=CC(N)=CC(C)=C1,708.5,3.0,2.0,0.0,121.183,8.0,0.0,CC1=CC(N)=CC(C)=C1,2.850339854583479,"3,5-Dimethylaniline"
CC1=CC(N)=CC=C1,992.0,1.0,2.0,0.0,107.156,7.0,0.0,CC1=CC(N)=CC=C1,2.9965116721541785,3-Methylaniline hydrochloride
CC1=CC(N)=CC=C1C,812.0,3.0,2.0,0.0,121.183,8.0,0.0,CC1=CC(N)=CC=C1C,2.9095560292411755,"3,4-Dimethylaniline"
CC1=CC(N=NC2C(=CC3C=C(C=C(NC4N=C(NC5C=CC(=CC=5)N=NC5C=C(C(O)=CC=5)C(O)=O)N=C(NC5C=CC=CC=5)N=4)C=3C=2O)S(O)(=O)=O)S(O)(=O)=O)=C(C=C1N=NC1=CC(=CC2=CC(=CC(O)=C21)S(O)(=O)=O)S(O)(=O)=O)OC,3725.0,0.0,0.0,4.0,1223.188,50.0,18.0,CC1=CC(N=NC2C(=CC3C=C(C=C(NC4N=C(NC5C=CC(=CC=5)N=NC5C=C(C(O)=CC=5)C(O)=O)N=C(NC5C=CC=CC=5)N=4)C=3C=2O)S(O)(=O)=O)S(O)(=O)=O)=C(C=C1N=NC1=CC(=CC2=CC(=CC(O)=C21)S(O)(=O)=O)S(O)(=O)=O)OC,3.5711262770843115,"C.I. Direct Green 26, pentasodium salt"
CC1=CC(N=NC2C=CC=CC=2[N+]([O-])=O)=C(O)C=C1,2751.0,4.0,2.0,0.0,257.249,13.0,3.0,CC1=CC(N=NC2C=CC=CC=2[N+]([O-])=O)=C(O)C=C1,3.4394905903896835,"Phenol, 4-methyl-2-[(2-nitrophenyl)azo]-"
CC1=CC(NC(=O)C2=CC3C=CC=CC=3C(N=NC3C=C(C=CC=3C)C(=O)OCCCl)=C2O)=C(C)C=C1NC(=O)C1=CC2C=CC=CC=2C(N=NC2C=C(C=CC=2C)C(=O)OCCCl)=C1O,6251.0,0.0,0.0,4.0,925.8259999999998,50.0,8.0,CC1=CC(NC(=O)C2=CC3C=CC=CC=3C(N=NC3C=C(C=CC=3C)C(=O)OCCCl)=C2O)=C(C)C=C1NC(=O)C1=CC2C=CC=CC=2C(N=NC2C=C(C=CC=2C)C(=O)OCCCl)=C1O,3.7959494989028033,"Benzoic acid, 3,3'-[(2,5-dimethyl-1,4-phenylene)bis[iminocarbonyl(2-hydroxy-3,1-naphthalenediyl)-2,1-diazenediyl]]bis[4-methyl-, 1,1'-bis(2-chloroethyl) ester"
CC1=CC(NC(=O)C2C(=O)C3C=CC=CC=3S(=O)(=O)N2C)=NO1,7500.0,4.0,3.0,0.0,335.3410000000001,14.0,5.0,CC1=CC(NC(=O)C2C(=O)C3C=CC=CC=3S(=O)(=O)N2C)=NO1,3.8750612633917,Isoxicam
CC1=CC(NS(=O)(=O)C2C=CC(N)=CC=2)=NO1,6285.0,4.0,3.0,0.0,253.283,10.0,3.0,CC1=CC(NS(=O)(=O)C2C=CC(N)=CC=2)=NO1,3.7983052820219765,Sulfamethoxazole
CC1=CC(O)=C(C)C=C1,510.0,1.0,2.0,0.0,122.167,8.0,1.0,CC1=CC(O)=C(C)C=C1,2.7075701760979363,"2,5-Dimethylphenol"
CC1=CC(O)=C(C=C1)C(O)=O,500.0,1.0,2.0,0.0,152.149,8.0,3.0,CC1=CC(O)=C(C=C1)C(O)=O,2.6989700043360187,m-Cresotic acid
CC1=CC(O)=CC(C)=C1,2114.0,1.0,2.0,0.0,122.16699999999996,8.0,1.0,CC1=CC(O)=CC(C)=C1,3.3251049829714074,"3,5-Dimethylphenol"
CC1=CC(O)=CC=C1,242.0,1.0,2.0,0.0,108.14,7.0,1.0,CC1=CC(O)=CC=C1,2.383815365980431,m-Cresol
CC1=CC(O)=CC=C1Cl,1610.0,1.0,2.0,0.0,142.58499999999998,7.0,1.0,CC1=CC(O)=CC=C1Cl,3.2068258760318495,Sodium 4-chloro-3-methylphenolate
CC1=CC(O)=CC=C1N,939.0,1.0,2.0,0.0,123.155,7.0,1.0,CC1=CC(O)=CC=C1N,2.972665592266111,4-Amino-m-cresol
CC1=CC(OC(=O)NC)=C(Cl)C=C1C,30.0,4.0,2.0,0.0,213.664,10.0,2.0,CC1=CC(OC(=O)NC)=C(Cl)C=C1C,1.4771212547196624,Carbanolate
CC1=CC(OC)=C(OC)C(OC)=C1C(=O)C1=C(C=CC(Br)=C1C)OC,7500.0,4.0,0.0,0.0,409.2760000000002,19.0,5.0,CC1=CC(OC)=C(OC)C(OC)=C1C(=O)C1=C(C=CC(Br)=C1C)OC,3.8750612633917,Metrafenone
CC1=CC(OCCCC(C)(C)C(O)=O)=C(C)C=C1,830.0,4.0,1.0,0.0,250.33799999999997,15.0,3.0,CC1=CC(OCCCC(C)(C)C(O)=O)=C(C)C=C1,2.9190780923760737,Gemfibrozil
CC1=CC(OCCN(C)C)=C(C=C1OC(C)=O)C(C)C,740.0,4.0,2.0,0.0,279.38,16.0,3.0,CC1=CC(OCCN(C)C)=C(C=C1OC(C)=O)C(C)C,2.8692317197309762,Moxisylyte hydrochloride
CC1=CC(OP(=S)(OC)OC)=C(C=C1Cl)C(C)C,500.0,4.0,1.0,0.0,308.76700000000005,12.0,3.0,CC1=CC(OP(=S)(OC)OC)=C(C=C1Cl)C(C)C,2.6989700043360187,"Phosphorothioic acid, O-(6-chlorothymyl) O,O-dimethyl ester"
CC1=CC(OP(=S)(OCC)OCC)=C2C=CC=CC2=N1,50.0,4.0,1.0,0.0,311.343,14.0,3.0,CC1=CC(OP(=S)(OCC)OCC)=C2C=CC=CC2=N1,1.6989700043360187,Quinothion
CC1=CC2=C(C3C=C(C)C(=CC=3[O+]=C2C=C1NCC)NCC)C1C=CC=CC=1C(=O)OCC,250.0,2.0,0.0,1.0,443.5670000000002,28.0,3.0,CC1=CC2=C(C3C=C(C)C(=CC=3[O+]=C2C=C1NCC)NCC)C1C=CC=CC=1C(=O)OCC,2.3979400086720375,Rhodamine 6G
CC1=CC2=C(C=C1)NC1=CC3=C(C=C1C2=O)NC1=CC=C(C)C=C1C3=O,8438.0,4.0,2.0,0.0,340.3820000000001,22.0,2.0,CC1=CC2=C(C=C1)NC1=CC3=C(C=C1C2=O)NC1=CC=C(C)C=C1C3=O,3.9262395210458623,C.I. Pigment Red 122
CC1=CC2=C(C=C1C(C)=O)C(C)(C)C(C)C2(C)C,534.0,4.0,0.0,0.0,244.37799999999996,17.0,1.0,CC1=CC2=C(C=C1C(C)=O)C(C)(C)C(C)C2(C)C,2.727541257028556,"1-(1,1,2,3,3,6-Hexamethyl-2,3-dihydro-1H-inden-5-yl)ethanone"
CC1=CC2=C(C=C1C(C)=O)C(C)(C)CC(C)C2(C)C,931.0,4.0,1.0,0.0,258.4049999999999,18.0,1.0,CC1=CC2=C(C=C1C(C)=O)C(C)(C)CC(C)C2(C)C,2.9689496809813427,"6-Acetyl-1,1,2,4,4,7-hexamethyltetralin"
CC1=CC2=C(C=C1C)N=C1C(=NC(=O)NC1=O)N2CC(O)C(O)C(O)CO,10001.0,3.0,1.0,0.0,376.36900000000014,17.0,6.0,CC1=CC2=C(C=C1C)N=C1C(=NC(=O)NC1=O)N2CC(O)C(O)C(O)CO,4.000043427276863,Riboflavin
CC1=CC2=C(C=C1C)N=C1C(=NC(=O)NC1=O)N2CC(OC(=O)CCC)C(OC(=O)CCC)C(COC(=O)CCC)OC(=O)CCC,7500.0,1.0,0.0,3.0,656.7330000000001,33.0,10.0,CC1=CC2=C(C=C1C)N=C1C(=NC(=O)NC1=O)N2CC(OC(=O)CCC)C(OC(=O)CCC)C(COC(=O)CCC)OC(=O)CCC,3.8750612633917,Riboflavin tetrabutyrate
CC1=CC2=CC(OC)=C(C=C2C(CC2=CC(OC)=C(C=C2)OCC)=N1)OC,1961.0,4.0,0.0,0.0,367.4450000000001,22.0,4.0,CC1=CC2=CC(OC)=C(C=C2C(CC2=CC(OC)=C(C=C2)OCC)=N1)OC,3.292477593667784,
CC1=CC2=CC3=C(OC(=O)C=C3C)C(C)=C2O1,10001.0,4.0,2.0,0.0,228.24699999999996,14.0,3.0,CC1=CC2=CC3=C(OC(=O)C=C3C)C(C)=C2O1,4.000043427276863,Trioxsalen
CC1=CC2=CC=CC=C2C=C1,1630.0,3.0,2.0,0.0,142.201,11.0,0.0,CC1=CC2=CC=CC=C2C=C1,3.2121876044039577,2-Methylnaphthalene
CC1=CC2=CC=CN=C2C=C1,800.0,3.0,2.0,0.0,143.189,10.0,0.0,CC1=CC2=CC=CN=C2C=C1,2.9030899869919438,6-Methylquinoline
CC1=CC2=NC3SC(=O)SC=3N=C2C=C1,1450.0,4.0,2.0,0.0,234.305,10.0,1.0,CC1=CC2=NC3SC(=O)SC=3N=C2C=C1,3.161368002234975,Chinomethionate
CC1=CC2C(=O)OC3CC(CC=C(C)C(OC4CC(OC)C(OC5CC(OC)C(O)C(C)O5)C(C)O4)C(C)C=CC=C4COC(C1O)C42O)OC1(C3)C=CC(C)C(O1)C1CCCCC1,1125.0,0.0,0.0,4.0,899.1280000000004,50.0,14.0,CC1=CC2C(=O)OC3CC(CC=C(C)C(OC4CC(OC)C(OC5CC(OC)C(O)C(C)O5)C(C)O4)C(C)C=CC=C4COC(C1O)C42O)OC1(C3)C=CC(C)C(O1)C1CCCCC1,3.0511525224473814,Doramectin
CC1=CC2C(=O)OC3CC4(CCC(C)C(C)O4)OC(CC=C(C)CC(C)C=CC=C4COC(C1O)C42O)C3,456.0,1.0,1.0,1.0,528.6860000000003,31.0,7.0,CC1=CC2C(=O)OC3CC4(CCC(C)C(C)O4)OC(CC=C(C)CC(C)C=CC=C4COC(C1O)C42O)C3,2.658964842664435,Milbemectin
CC1=CC2C=CC(Cl)=C(C(O)=O)C=2N=C1,7500.0,4.0,2.0,0.0,221.643,11.0,2.0,CC1=CC2C=CC(Cl)=C(C(O)=O)C=2N=C1,3.8750612633917,Quinmerac
CC1=CC2C=CC=NC=2N(C1=O)C1C=C(C=CC=1)C(F)(F)F,256.0,4.0,2.0,0.0,304.271,16.0,1.0,CC1=CC2C=CC=NC=2N(C1=O)C1C=C(C=CC=1)C(F)(F)F,2.4082399653118496,"1,8-Naphthyridin-2(1H)-one, 3-methyl-1-(3-(trifluoromethyl)phenyl)-"
CC1=CC2CC3C=C(C)C=C(C4CCCCC4)C=3OP(O)OC=2C(=C1)C1CCCCC1,3500.0,3.0,1.0,1.0,438.54800000000034,27.0,3.0,CC1=CC2CC3C=C(C)C=C(C4CCCCC4)C=3OP(O)OC=2C(=C1)C1CCCCC1,3.5440680443502757,"12H-Dibenzo[d,g][1,3,2]dioxaphosphocin, 4,8-dicyclohexyl-6-hydroxy-2,10-dimethyl-"
CC1=CC2CCCS(=O)(=O)C=2C=C1S(N)(=O)=O,10001.0,4.0,3.0,0.0,275.35100000000006,10.0,4.0,CC1=CC2CCCS(=O)(=O)C=2C=C1S(N)(=O)=O,4.000043427276863,Meticrane
CC1=CC2N=NNC=2C=C1,1600.0,1.0,2.0,0.0,133.15400000000002,7.0,0.0,CC1=CC2N=NNC=2C=C1,3.2041199826559246,5-Methyl-1H-benzotriazole
CC1=CC2OC3=CC(=CC=C3C3(OC(=O)C4=CC=CC=C34)C=2C=C1NC1C=CC=CC=1)N(CCC(C)C)CC,10001.0,0.0,0.0,2.0,518.6570000000002,34.0,3.0,CC1=CC2OC3=CC(=CC=C3C3(OC(=O)C4=CC=CC=C34)C=2C=C1NC1C=CC=CC=1)N(CCC(C)C)CC,4.000043427276863,CERAPP_45092
CC1=CC2OC3C=C(C=CC=3C3(OC(=O)C4C=CC=CC3=4)C=2C=C1NC1C=CC=CC=1)N(CCCC)CCCC,7500.0,0.0,0.0,2.0,532.6840000000002,35.0,3.0,CC1=CC2OC3C=C(C=CC=3C3(OC(=O)C4C=CC=CC3=4)C=2C=C1NC1C=CC=CC=1)N(CCCC)CCCC,3.8750612633917,"Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one-6'-(dibutylamino)-3'-methyl-2'-(phenylamino)-"
CC1=CC=C(C)C(C)=C1C,6408.0,3.0,2.0,0.0,134.222,10.0,0.0,CC1=CC=C(C)C(C)=C1C,3.8067225030761813,"1,2,3,4-Tetramethylbenzene"
CC1=CC=C(C)C(O)=C1C,3125.0,3.0,2.0,0.0,136.194,9.0,1.0,CC1=CC=C(C)C(O)=C1C,3.494850021680094,"2,3,6-Trimethylphenol"
CC1=CC=C(C)N1,59.0,1.0,2.0,0.0,95.145,6.0,0.0,CC1=CC=C(C)N1,1.7708520116421442,"2,5-Dimethylpyrrole"
CC1=CC=C(C)N1NC1C=CC(=NN=1)N1CCOCC1,2250.0,4.0,3.0,0.0,273.34,14.0,1.0,CC1=CC=C(C)N1NC1C=CC(=NN=1)N1CCOCC1,3.3521825181113627,
CC1=CC=C(C2N=C3C(C(=N)C(=O)C(C)=C3OC1=2)C(=O)NC1C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C2CCCN2C(=O)C(NC1=O)C(C)C)C(=O)NC1C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C2CCCN2C(=O)C(NC1=O)C(C)C,7.2,1.0,1.0,3.0,1255.4379999999994,62.0,16.0,CC1=CC=C(C2N=C3C(C(=N)C(=O)C(C)=C3OC1=2)C(=O)NC1C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C2CCCN2C(=O)C(NC1=O)C(C)C)C(=O)NC1C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)C2CCCN2C(=O)C(NC1=O)C(C)C,0.8573324964312685,Actinomycin D
CC1=CC=C(C=C1)C#N,3800.0,1.0,2.0,0.0,117.151,8.0,0.0,CC1=CC=C(C=C1)C#N,3.57978359661681,4-Methylbenzonitrile
CC1=CC=C(C=C1)C(=CCN1CCCC1)C1=CC=CC=N1,840.0,4.0,2.0,0.0,278.399,19.0,0.0,CC1=CC=C(C=C1)C(=CCN1CCCC1)C1=CC=CC=N1,2.9242792860618816,Triprolidine
CC1=CC=C(C=C1)C(=O)C1C=C(C(O)=C(O)C=1)[N+]([O-])=O,3500.0,4.0,3.0,0.0,273.24399999999997,14.0,5.0,CC1=CC=C(C=C1)C(=O)C1C=C(C(O)=C(O)C=1)[N+]([O-])=O,3.5440680443502757,Tolcapone
CC1=CC=C(C=C1)C(O)=O,3500.0,1.0,2.0,0.0,136.15,8.0,2.0,CC1=CC=C(C=C1)C(O)=O,3.5440680443502757,4-Methylbenzoic acid
CC1=CC=C(C=C1)C=C,3127.5,2.0,2.0,0.0,118.17899999999996,9.0,0.0,CC1=CC=C(C=C1)C=C,3.4951973183654577,4-Methylstyrene
CC1=CC=C(C=C1)C=O,1600.0,1.0,2.0,0.0,120.15099999999998,8.0,1.0,CC1=CC=C(C=C1)C=O,3.2041199826559246,4-Methylbenzaldehyde
CC1=CC=C(C=C1)N=C=O,1600.0,1.0,2.0,0.0,133.15,8.0,1.0,CC1=CC=C(C=C1)N=C=O,3.2041199826559246,p-Tolyl isocyanate
CC1=CC=C(C=C1)NC(=O)CF,7.0,4.0,2.0,0.0,167.18300000000002,9.0,1.0,CC1=CC=C(C=C1)NC(=O)CF,0.8450980400142568,"p-Acetotoluidide, 2-fluoro-"
CC1=CC=C(C=C1)NN,262.0,1.0,2.0,0.0,122.171,7.0,0.0,CC1=CC=C(C=C1)NN,2.4183012913197452,4-Methylphenylhydrazine
CC1=CC=C(C=C1)OC(=O)C1=CC=CC=C1OC(N)=O,2500.0,4.0,3.0,0.0,271.272,15.0,4.0,CC1=CC=C(C=C1)OC(=O)C1=CC=CC=C1OC(N)=O,3.3979400086720375,"Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-methylphenyl ester"
CC1=CC=C(C=C1)OC(=O)CC1C=CC=CC=1,7500.0,4.0,2.0,0.0,226.27500000000003,15.0,2.0,CC1=CC=C(C=C1)OC(=O)CC1C=CC=CC=1,3.8750612633917,4-Tolyl phenylacetate
CC1=CC=C(C=C1)OCC1CC1,6320.0,4.0,2.0,0.0,162.232,11.0,1.0,CC1=CC=C(C=C1)OCC1CC1,3.800717078282385,2-[(Methylphenoxy)methyl]oxirane
CC1=CC=C(C=C1)S(=O)(=O)C=CC#N,1440.0,4.0,2.0,0.0,207.254,10.0,2.0,CC1=CC=C(C=C1)S(=O)(=O)C=CC#N,3.1583624920952498,3-(4-Tolylsulfonyl)acrylonitrile
CC1=CC=C(C=C1)S(=O)(=O)Cl,4680.0,3.0,2.0,0.0,190.651,7.0,2.0,CC1=CC=C(C=C1)S(=O)(=O)Cl,3.670245853074124,p-Toluenesulfonyl chloride
CC1=CC=C(C=C1)S(=O)(=O)N=C=O,2234.0,4.0,2.0,0.0,197.215,8.0,3.0,CC1=CC=C(C=C1)S(=O)(=O)N=C=O,3.34908316877959,4-Methylbenzenesulfonyl isocyanate
CC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(O)=O,3125.5,4.0,2.0,0.0,285.36499999999995,13.0,4.0,CC1=CC=C(C=C1)S(=O)(=O)NCCCCCC(O)=O,3.494919503238822,"Hexanoic acid, 6-[[(4-methylphenyl)sulfonyl]amino]-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)"
CC1=CC=C(C=C1)S(=O)(=O)NCl,967.0,4.0,2.0,0.0,205.66600000000005,7.0,2.0,CC1=CC=C(C=C1)S(=O)(=O)NCl,2.9854264740830017,N-Chloro-4-methylbenzenesulfonamide
CC1=CC=C(C=C1)S(=O)(=O)NN,283.0,4.0,2.0,0.0,186.236,7.0,2.0,CC1=CC=C(C=C1)S(=O)(=O)NN,2.45178643552429,Toluene-4-sulphonohydrazide
CC1=CC=C(C=C1)S(=O)(=O)OCCCl,498.0,4.0,2.0,0.0,234.704,9.0,3.0,CC1=CC=C(C=C1)S(=O)(=O)OCCCl,2.6972293427597176,"Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate)"
CC1=CC=C(C=C1)S(N)(=O)=O,2347.0,4.0,2.0,0.0,171.22100000000003,7.0,2.0,CC1=CC=C(C=C1)S(N)(=O)=O,3.3705130895985924,4-Toluenesulfonamide
CC1=CC=C(C=C1)S(O)(=O)=O,2979.3333333333335,3.0,2.0,0.0,172.205,7.0,3.0,CC1=CC=C(C=C1)S(O)(=O)=O,3.474119095604678,Lithium p-toluenesulphonate
CC1=CC=C(C=C1)[N+]([O-])=O,2936.0,1.0,2.0,0.0,137.138,7.0,2.0,CC1=CC=C(C=C1)[N+]([O-])=O,3.467756051244033,4-Nitrotoluene
CC1=CC=C(C=C1C)C1OCC2OC(OC(C2O1)C(O)CO)C1C=C(C)C(C)=CC=1,6251.0,4.0,1.0,0.0,414.49800000000016,24.0,6.0,CC1=CC=C(C=C1C)C1OCC2OC(OC(C2O1)C(O)CO)C1C=C(C)C(C)=CC=1,3.7959494989028033,"1,3:2,4-Bis(3,4-dimethylbenzylidene)-D-sorbitol"
CC1=CC=C(C=C1Cl)N=C=O,6100.0,3.0,2.0,0.0,167.595,8.0,1.0,CC1=CC=C(C=C1Cl)N=C=O,3.785329835010767,3-Chloro-4-methylphenyl isocyanate
CC1=CC=C(C=C1Cl)NC(=O)C(C)CCC,5100.0,4.0,1.0,0.0,239.746,13.0,1.0,CC1=CC=C(C=C1Cl)NC(=O)C(C)CCC,3.7075701760979363,Pentanochlor
CC1=CC=C(C=C1N)C(=O)NC1C=CC(=CC=1)S(O)(=O)=O,3500.0,4.0,3.0,0.0,306.3430000000001,14.0,4.0,CC1=CC=C(C=C1N)C(=O)NC1C=CC(=CC=1)S(O)(=O)=O,3.5440680443502757,"Benzenesulfonic acid, 4-[(3-amino-4-methylbenzoyl)amino]-, sodium salt (1:1)"
CC1=CC=C(C=C1N1C(=O)C=CC1=O)N1C(=O)C=CC1=O,2400.0,4.0,3.0,0.0,282.25500000000005,15.0,4.0,CC1=CC=C(C=C1N1C(=O)C=CC1=O)N1C(=O)C=CC1=O,3.380211241711606,"Toluene-2,4-dimaleimide"
CC1=CC=C(C=C1N=C=O)N=C=O,5800.0,3.0,2.0,0.0,174.159,9.0,2.0,CC1=CC=C(C=C1N=C=O)N=C=O,3.7634279935629373,"Toluene-2,4-diisocyanate"
CC1=CC=C(C=C1NC(=O)N(C)C)NC(=O)N(C)C,2751.0,4.0,3.0,0.0,264.329,13.0,2.0,CC1=CC=C(C=C1NC(=O)N(C)C)NC(=O)N(C)C,3.4394905903896835,"3,3'-(4-Methylbenzene-1,3-diyl)bis(1,1-dimethylurea)"
CC1=CC=C(C=C1NC(=O)OCCN(C)C)NC(=O)OCC(CCCC)CC,3500.0,4.0,0.0,0.0,393.5280000000002,21.0,4.0,CC1=CC=C(C=C1NC(=O)OCCN(C)C)NC(=O)OCC(CCCC)CC,3.5440680443502757,[3-[[[2-(Dimethylamino)ethoxy]carbonyl]amino]-4-methylphenyl]carbamic acid (2-ethylhexyl) ester
CC1=CC=C(C=C1O)C(C)C,831.0,3.0,2.0,0.0,150.221,10.0,1.0,CC1=CC=C(C=C1O)C(C)C,2.919601023784111,Isopropyl-o-cresol
CC1=CC=C(C=C1S(O)(=O)=O)[N+]([O-])=O,3710.0,4.0,2.0,0.0,217.202,7.0,5.0,CC1=CC=C(C=C1S(O)(=O)=O)[N+]([O-])=O,3.569373909615046,2-Methyl-5-nitrobenzenesulfonic acid
CC1=CC=C(C=C1[N+]([O-])=O)C(=O)NC1C=CC(=CC=1)S(O)(=O)=O,2751.0,4.0,3.0,0.0,336.3250000000001,14.0,6.0,CC1=CC=C(C=C1[N+]([O-])=O)C(=O)NC1C=CC(=CC=1)S(O)(=O)=O,3.4394905903896835,Sodium 4-(4-methyl-3-nitrobenzoylamino)benzenesulphonate
CC1=CC=C(C=N1)C=C,1167.0,1.0,2.0,0.0,119.167,8.0,0.0,CC1=CC=C(C=N1)C=C,3.0670708560453703,2-Methyl-5-vinylpyridine
CC1=CC=C(C=O)O1,2200.0,1.0,2.0,0.0,110.112,6.0,2.0,CC1=CC=C(C=O)O1,3.342422680822206,"2-Furancarboxaldehyde, 5-methyl-"
CC1=CC=C(CO)C=C1,3900.0,1.0,2.0,0.0,122.167,8.0,1.0,CC1=CC=C(CO)C=C1,3.591064607026499,4-Methylbenzyl alcohol
CC1=CC=C(Cl)C=C1,2258.0,1.0,2.0,0.0,126.586,7.0,0.0,CC1=CC=C(Cl)C=C1,3.353723937588949,4-Chlorotoluene
CC1=CC=C(Cl)C=C1Cl,2400.0,2.0,2.0,0.0,161.031,7.0,0.0,CC1=CC=C(Cl)C=C1Cl,3.380211241711606,"2,4-Dichlorotoluene"
CC1=CC=C(Cl)C=C1N,673.0,2.0,2.0,0.0,141.601,7.0,0.0,CC1=CC=C(Cl)C=C1N,2.828015064223977,5-Chloro-2-methylaniline
CC1=CC=C(N)C=C1,890.5,1.0,2.0,0.0,107.156,7.0,0.0,CC1=CC=C(N)C=C1,2.9496339237992624,p-Toluidine sulphate (1:1)
CC1=CC=C(N)N=C1,200.0,1.0,2.0,0.0,108.14400000000002,6.0,0.0,CC1=CC=C(N)N=C1,2.3010299956639813,5-Methylpyridin-2-amine
CC1=CC=C(O)C=C1,805.0,1.0,2.0,0.0,108.14,7.0,1.0,CC1=CC=C(O)C=C1,2.9057958803678687,p-Cresol sodium salt
CC1=CC=C2C(=N1)C(O)=C(Cl)C=C2Cl,660.0,4.0,1.0,0.0,228.078,10.0,1.0,CC1=CC=C2C(=N1)C(O)=C(Cl)C=C2Cl,2.8195439355418688,"5,7-Dichloro-8-hydroxy-2-methylquinoline"
CC1=CC=C2N=C(SC2=C1S(O)(=O)=O)C1C=CC(=CC=1)N=NC1C(=O)NC(=O)NC1=O,5000.0,4.0,2.0,0.0,459.46500000000015,18.0,6.0,CC1=CC=C2N=C(SC2=C1S(O)(=O)=O)C1C=CC(=CC=1)N=NC1C(=O)NC(=O)NC1=O,3.6989700043360187,"7-Benzothiazolesulfonic acid, 2-[4-[2-(hexahydro-2,4,6-trioxo-5-pyrimidinyl)diazenyl]phenyl]-6-methyl-, lithium salt (1:1)"
CC1=CC=C2N=C(SC2=C1S(O)(=O)=O)C1C=CC(=CC=1)NC(=O)C(=CC1C=CC(=CC=1)N(C)CCS(O)(=O)=O)C#N,3500.0,2.0,0.0,1.0,612.7110000000004,27.0,7.0,CC1=CC=C2N=C(SC2=C1S(O)(=O)=O)C1C=CC(=CC=1)NC(=O)C(=CC1C=CC(=CC=1)N(C)CCS(O)(=O)=O)C#N,3.5440680443502757,Disodium 2-(4-((2-cyano-3-(4-(methyl(2-sulphonatoethyl)amino)phenyl)-1-oxoallyl)amino)phenyl)-6-methylbenzothiazole-7-sulphonate
CC1=CC=CC(=C1O)C(=O)OC,3840.0,4.0,2.0,0.0,166.176,9.0,3.0,CC1=CC=CC(=C1O)C(=O)OC,3.584331224367531,"Benzoic acid, 2-hydroxy-3-methyl-, methyl ester"
CC1=CC=CC(=C1[N+]([O-])=O)[N+]([O-])=O,911.0,3.0,2.0,0.0,182.135,7.0,4.0,CC1=CC=CC(=C1[N+]([O-])=O)[N+]([O-])=O,2.9595183769729982,"2,3-Dinitrotoluene"
CC1=CC=CC(CC)=C1N(C(C)COC)C(=O)CCl,2780.0,4.0,2.0,0.0,283.799,15.0,2.0,CC1=CC=CC(CC)=C1N(C(C)COC)C(=O)CCl,3.444044795918076,Metolachlor
CC1=CC=CC(CC)=C1N(COCC)C(=O)CCl,2011.0,4.0,2.0,0.0,269.772,14.0,2.0,CC1=CC=CC(CC)=C1N(COCC)C(=O)CCl,3.303412070596742,Acetochlor
CC1=CC=CC(OCC)=C1N(COCCC)C(=O)CCl,2100.0,4.0,2.0,0.0,299.79800000000006,15.0,3.0,CC1=CC=CC(OCC)=C1N(COCCC)C(=O)CCl,3.322219294733919,"Acetamide, 2-chloro-N-(2-ethoxy-6-methylphenyl)-N-(propoxymethyl)-"
CC1=CC=CC2=NC=C(C(=O)N12)C(=O)NC,250.0,4.0,2.0,0.0,217.228,11.0,2.0,CC1=CC=CC2=NC=C(C(=O)N12)C(=O)NC,2.3979400086720375,"4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N,6-dimethyl-4-oxo-"
CC1=CC=CC2=NC=C(C(=O)N12)C(=O)NC(C)(C)C,250.0,4.0,3.0,0.0,259.30899999999997,14.0,2.0,CC1=CC=CC2=NC=C(C(=O)N12)C(=O)NC(C)(C)C,2.3979400086720375,"4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-(1,1-dimethylethyl)-6-methyl-4-oxo-"
CC1=CC=CC2=NC=C(C(=O)N12)C(=O)NCCCCCCC,250.0,4.0,2.0,0.0,301.3900000000001,17.0,2.0,CC1=CC=CC2=NC=C(C(=O)N12)C(=O)NCCCCCCC,2.3979400086720375,"4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-heptyl-6-methyl-4-oxo-"
CC1=CC=CC2=NC=C(C(=O)N21)C(=O)NC12CC3CC(C1)CC(C2)C3,250.0,4.0,3.0,0.0,337.4230000000002,20.0,2.0,CC1=CC=CC2=NC=C(C(=O)N21)C(=O)NC12CC3CC(C1)CC(C2)C3,2.3979400086720375,"4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-4-oxo-N-tricyclo(3.3.1.1(sup 3,7))dec-1-yl-"
CC1=CC=CC2=NC=C(C(=O)N21)C(=O)NC1CCCC1,250.0,4.0,3.0,0.0,271.32,15.0,2.0,CC1=CC=CC2=NC=C(C(=O)N21)C(=O)NC1CCCC1,2.3979400086720375,"4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-cyclopentyl-6-methyl-4-oxo-"
CC1=CC=CC2=NC=C(C(=O)NC3C=CC(F)=CC=3)C(=O)N21,250.0,4.0,3.0,0.0,297.28900000000004,16.0,2.0,CC1=CC=CC2=NC=C(C(=O)NC3C=CC(F)=CC=3)C(=O)N21,2.3979400086720375,"4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-(4-fluorophenyl)-6-methyl-4-oxo-"
CC1=CC=CC2=NNN=C21,832.5,1.0,2.0,0.0,133.15400000000002,7.0,0.0,CC1=CC=CC2=NNN=C21,2.9203842421783577,"1H-Benzotriazole, 4(or 5)-methyl-, sodium salt"
CC1=CC=CC2SC(N)=NC=21,382.5,3.0,2.0,0.0,164.233,8.0,0.0,CC1=CC=CC2SC(N)=NC=21,2.5826314394896364,"2-Benzothiazolamine, 4-methyl-, hydrochloride (1:1)"
CC1=CC=CC=C1/N=C(S)/NN,200.0,4.0,2.0,0.0,181.264,8.0,0.0,CC1=CC=CC=C1/N=C(S)/NN,2.3010299956639813,
CC1=CC=CC=C1C#N,3200.0,1.0,2.0,0.0,117.151,8.0,0.0,CC1=CC=CC=C1C#N,3.505149978319906,2-Tolunitrile
CC1=CC=CC=C1C(C)C1C=CC=CC=1,1750.0,4.0,1.0,0.0,196.293,15.0,0.0,CC1=CC=CC=C1C(C)C1C=CC=CC=1,3.2430380486862944,
CC1=CC=CC=C1C(OCCN(C)C)C1C=CC=CC=1,319.0,4.0,1.0,0.0,269.388,18.0,1.0,CC1=CC=CC=C1C(OCCN(C)C)C1C=CC=CC=1,2.503790683057181,Orphenadrine hydrochloride
CC1=CC=CC=C1CC1C=CC=CC=1,3057.5,4.0,1.0,0.0,182.266,14.0,0.0,CC1=CC=CC=C1CC1C=CC=CC=1,3.485366465708323,Benzyltoluene
CC1=CC=CC=C1CCO,1609.0,3.0,2.0,0.0,136.19400000000002,9.0,1.0,CC1=CC=CC=C1CCO,3.2065560440990297,2-Methylphenethyl alcohol
CC1=CC=CC=C1N,1695.0,1.0,2.0,0.0,107.156,7.0,0.0,CC1=CC=CC=C1N,3.229169702539101,"Benzenamine, 2-methyl-, hydrochloride (1:2)"
CC1=CC=CC=C1N(CC)C(=O)C=CC,1500.0,4.0,2.0,0.0,203.28500000000005,13.0,1.0,CC1=CC=CC=C1N(CC)C(=O)C=CC,3.1760912590556813,Crotamiton
CC1=CC=CC=C1N(CCO)CCO,2200.0,4.0,1.0,0.0,195.26199999999997,11.0,2.0,CC1=CC=CC=C1N(CCO)CCO,3.342422680822206,"2,2'-[(2-Methylphenyl)imino]bisethanol"
CC1=CC=CC=C1N1C(C)NC2=CC(Cl)=C(C=C2C1=O)S(N)(=O)=O,7500.0,4.0,2.0,0.0,365.8420000000001,16.0,3.0,CC1=CC=CC=C1N1C(C)NC2=CC(Cl)=C(C=C2C1=O)S(N)(=O)=O,3.8750612633917,Metolazone
CC1=CC=CC=C1NC(=O)C1C=C(C)NN=1,3500.0,4.0,2.0,0.0,215.25600000000003,12.0,1.0,CC1=CC=CC=C1NC(=O)C1C=C(C)NN=1,3.5440680443502757,"1H-Pyrazolecarboxamide, 5-methyl-N-(2-methylphenyl)-"
CC1=CC=CC=C1O,1864.0,1.0,2.0,0.0,108.14,7.0,1.0,CC1=CC=CC=C1O,3.2704459080179626,"Phenol, 2-methyl-, potassium salt"
CC1=CC=CC=C1OCC(O)CO,625.0,4.0,2.0,0.0,182.219,10.0,3.0,CC1=CC=CC=C1OCC(O)CO,2.7958800173440754,Mephenesin
CC1=CC=CC=C1OCC1CO1,3700.0,4.0,2.0,0.0,164.20399999999998,10.0,2.0,CC1=CC=CC=C1OCC1CO1,3.568201724066995,o-Cresyl glycidyl ether
CC1=CC=CC=C1[N+]([O-])=O,1483.0,1.0,2.0,0.0,137.138,7.0,2.0,CC1=CC=CC=C1[N+]([O-])=O,3.1711411510283822,2-Nitrotoluene
CC1=CC=CN2C(=O)C(=CN=C21)C1=NNN=N1,687.0,4.0,2.0,0.0,228.21500000000003,10.0,1.0,CC1=CC=CN2C(=O)C(=CN=C21)C1=NNN=N1,2.8369567370595505,Pemirolast potassium
CC1=CC=CO1,316.0,1.0,2.0,0.0,82.102,5.0,1.0,CC1=CC=CO1,2.499687082618404,2-Methylfuran
CC1=CC=CS1,3200.0,1.0,2.0,0.0,98.17000000000002,5.0,0.0,CC1=CC=CS1,3.505149978319906,"Thiophene, 2-methyl-"
CC1=CCC(=O)O1,3900.0,1.0,2.0,0.0,98.101,5.0,2.0,CC1=CCC(=O)O1,3.591064607026499,alpha-Angelica lactone
CC1=CCC(C)C(C)C1=O,1866.0,3.0,2.0,0.0,138.20999999999998,9.0,1.0,CC1=CCC(C)C(C)C1=O,3.2709116394104814,"2-Cyclohexen-1-one, 2,5,6-trimethyl-"
CC1=CCC(CC#N)C1(C)C,3510.0,3.0,2.0,0.0,149.237,10.0,0.0,CC1=CCC(CC#N)C1(C)C,3.545307116465824,CERAPP_35748
CC1=CCC(CC1=O)C(C)=C,5150.0,3.0,2.0,0.0,150.22099999999998,10.0,1.0,CC1=CCC(CC1=O)C(C)=C,3.711807229041191,R-(-)-Carvone
CC1=CCC(CC1O)C(C)=C,3000.0,3.0,2.0,0.0,152.23699999999997,10.0,1.0,CC1=CCC(CC1O)C(C)=C,3.4771212547196626,Carveol
CC1=CCC(CC=O)C1(C)C,2751.0,3.0,2.0,0.0,152.237,10.0,1.0,CC1=CCC(CC=O)C1(C)C,3.4394905903896835,"[(1R)-2,2,3-Trimethylcyclopent-3-en-1-yl]acetaldehyde"
CC1=CCC2CC1C2(C)C,1250.0,3.0,2.0,0.0,136.238,10.0,0.0,CC1=CCC2CC1C2(C)C,3.0969100130080562,(-)-alpha-Pinene
CC1=CCCC(C)(C)C1C(=O)OC,4150.0,4.0,2.0,0.0,182.263,11.0,2.0,CC1=CCCC(C)(C)C1C(=O)OC,3.6180480967120925,"Methyl 2,6,6-trimethylcyclohex-2-ene-1-carboxylate"
CC1=CCCC(C)(C)C1C=CC(C)=O,4238.0,4.0,1.0,0.0,192.3019999999999,13.0,1.0,CC1=CCCC(C)(C)C1C=CC(C)=O,3.627160952374776,alpha-Ionone
CC1=CCCC(C)(C)C1CCC(=O)CC,7500.0,4.0,0.0,0.0,208.34499999999997,14.0,1.0,CC1=CCCC(C)(C)C1CCC(=O)CC,3.8750612633917,CERAPP_44487
CC1=CN(C(=O)C=C1)C1C=CC=CC=1,1295.0,4.0,2.0,0.0,185.22600000000003,12.0,1.0,CC1=CN(C(=O)C=C1)C1C=CC=CC=1,3.1122697684172707,Pirfenidone
CC1=CN(C(N)=N1)C1C(Cl)=CC=CC=1Cl,250.0,4.0,2.0,0.0,242.109,10.0,0.0,CC1=CN(C(N)=N1)C1C(Cl)=CC=CC=1Cl,2.3979400086720375,"1H-Imidazol-2-amine, 1-(2,6-dichlorophenyl)-4-methyl-"
CC1=CN(C2C=CC(CO)O2)C(=O)NC1=O,4000.0,3.0,2.0,0.0,224.216,10.0,4.0,CC1=CN(C2C=CC(CO)O2)C(=O)NC1=O,3.6020599913279625,Stavudine
CC1=CN(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC1=O,3084.0,4.0,3.0,0.0,267.245,10.0,4.0,CC1=CN(C2CC(N=[N+]=[N-])C(CO)O2)C(=O)NC1=O,3.4891143693789193,3'-Azido-3'-deoxythymidine
CC1=CN(C2CC(O)C(CO)O2)C(=O)NC1=O,3500.0,3.0,2.0,0.0,242.23099999999997,10.0,5.0,CC1=CN(C2CC(O)C(CO)O2)C(=O)NC1=O,3.5440680443502757,Thymidine
CC1=CN(C2CC(O)C(COC(C3=CC=CC=C3)(C3=CC=C(C=C3)OC)C3=CC=C(C=C3)OC)O2)C(=O)NC1=O,3500.0,1.0,0.0,1.0,544.6040000000003,31.0,7.0,CC1=CN(C2CC(O)C(COC(C3=CC=CC=C3)(C3=CC=C(C=C3)OC)C3=CC=C(C=C3)OC)O2)C(=O)NC1=O,3.5440680443502757,"Thymidine, 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-"
CC1=CN=C(C=N1)C(=O)NCCC1C=CC(=CC=1)S(N)(=O)=O,3500.0,4.0,3.0,0.0,320.374,14.0,3.0,CC1=CN=C(C=N1)C(=O)NCCC1C=CC(=CC=1)S(N)(=O)=O,3.5440680443502757,5-Methyl-N-(2-(4-sulfamoylphenyl)ethyl)pyrazine-2-carboxamide
CC1=CN=C(N)S1,749.0,1.0,2.0,0.0,114.173,4.0,0.0,CC1=CN=C(N)S1,2.8744818176994666,2-Amino-5-methyl-thiazole
CC1=CN=CC(C)=C1,307.0,1.0,2.0,0.0,107.15599999999998,7.0,0.0,CC1=CN=CC(C)=C1,2.4871383754771865,"3,5-Dimethylpyridine"
CC1=CNC(CC)=N1,737.0,1.0,2.0,0.0,110.15999999999998,6.0,0.0,CC1=CNC(CC)=N1,2.8674674878590514,2-Ethyl-4-methyl-1H-imidazole
CC1=CNC2C=CC=CC=21,3450.0,2.0,2.0,0.0,131.17799999999997,9.0,0.0,CC1=CNC2C=CC=CC=21,3.537819095073274,3-Methylindole
CC1=CNC=N1,751.0,1.0,2.0,0.0,82.10600000000001,4.0,0.0,CC1=CNC=N1,2.8756399370041685,4-Methylimidazole
CC1=CNN=C1,534.0,1.0,2.0,0.0,82.106,4.0,0.0,CC1=CNN=C1,2.727541257028556,4-Methylpyrazole hydrochloride
CC1=COC2=NC(=NC(N)=C21)SCC=C,7500.0,4.0,2.0,0.0,221.285,10.0,1.0,CC1=COC2=NC(=NC(N)=C21)SCC=C,3.8750612633917,"Furo(2,3-d)pyrimidin-4-amine, 5-methyl-2-(2-propenylthio)-"
CC1=NC(=CN1C1C=CC(=CC=1)[N+]([O-])=O)[N+]([O-])=O,4813.0,4.0,2.0,0.0,248.198,10.0,4.0,CC1=NC(=CN1C1C=CC(=CC=1)[N+]([O-])=O)[N+]([O-])=O,3.6824158616773586,Nitrefazole
CC1=NC(=N)SC1/C(/O)=N/CC1C=CC=CC=1,800.0,4.0,2.0,0.0,247.323,12.0,1.0,CC1=NC(=N)SC1/C(/O)=N/CC1C=CC=CC=1,2.9030899869919438,
CC1=NC(=NC(O)=C1CCCC)N(C)C,2350.0,4.0,1.0,0.0,209.293,11.0,1.0,CC1=NC(=NC(O)=C1CCCC)N(C)C,3.3710678622717363,Dimethirimol
CC1=NC(=NC(OC(=O)N(C)C)=C1C)N(C)C,142.625,4.0,1.0,0.0,238.29099999999997,11.0,2.0,CC1=NC(=NC(OC(=O)N(C)C)=C1C)N(C)C,2.154195657426271,Pirimicarb
CC1=NC(=O)C(=CC1C1=CN2C=CN=C2C=C1)C#N,7804.0,4.0,3.0,0.0,250.261,14.0,1.0,CC1=NC(=O)C(=CC1C1=CN2C=CN=C2C=C1)C#N,3.8923172607224803,Olprinone hydrochloride
CC1=NC(=O)C(=CC1C1C=CN=CC=1)C#N,91.0,4.0,2.0,0.0,211.224,12.0,1.0,CC1=NC(=O)C(=CC1C1C=CN=CC=1)C#N,1.9590413923210936,Milrinone
CC1=NC(=O)N(C(=O)C1Cl)C(C)(C)C,5113.0,4.0,2.0,0.0,216.668,9.0,2.0,CC1=NC(=O)N(C(=O)C1Cl)C(C)(C)C,3.708675792726537,Terbacil
CC1=NC(=O)N(C(C)C)C(=O)C1Br,3400.0,4.0,2.0,0.0,247.092,8.0,2.0,CC1=NC(=O)N(C(C)C)C(=O)C1Br,3.531478917042255,Isocil
CC1=NC(=O)N(C(C)CC)C(=O)C1Br,3998.0,4.0,3.0,0.0,261.119,9.0,2.0,CC1=NC(=O)N(C(C)CC)C(=O)C1Br,3.601842789782098,Bromacil
CC1=NC(=O)NC(=O)C1CO,7500.0,0.0,2.0,0.0,156.14099999999996,6.0,3.0,CC1=NC(=O)NC(=O)C1CO,3.8750612633917,Pentoxyl
CC1=NC(C#N)=C(C(C1C(=O)OC(C)C)C1C=C(C=CC=1)[N+]([O-])=O)C(=O)OC,1560.0,4.0,1.0,0.0,385.3760000000001,19.0,6.0,CC1=NC(C#N)=C(C(C1C(=O)OC(C)C)C1C=C(C=CC=1)[N+]([O-])=O)C(=O)OC,3.1931245983544616,Nilvadipine
CC1=NC(C)(C(C(C1C(=O)OC=C)C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC)C1C=CC(=CC=1)N1CCN(CC1)C(C1C=CC=CC=1)C1C=CC=CC=1,1500.0,0.0,0.0,2.0,686.8090000000001,41.0,6.0,CC1=NC(C)(C(C(C1C(=O)OC=C)C1=CC(=CC=C1)[N+]([O-])=O)C(=O)OC)C1C=CC(=CC=1)N1CCN(CC1)C(C1C=CC=CC=1)C1C=CC=CC=1,3.1760912590556813,
CC1=NC(C)=C(C(C1C(=O)OC)C1C=CC=CC=1[N+]([O-])=O)C(=O)OC,1022.0,4.0,2.0,0.0,346.33900000000006,17.0,6.0,CC1=NC(C)=C(C(C1C(=O)OC)C1C=CC=CC=1[N+]([O-])=O)C(=O)OC,3.009450895798694,Nifedipine
CC1=NC(C)=C(C(C1C(=O)OCC)C1C=CC=CC=1C=CC(=O)OC(C)(C)C)C(=O)OCC,880.0,4.0,0.0,0.0,455.5510000000002,26.0,6.0,CC1=NC(C)=C(C(C1C(=O)OCC)C1C=CC=CC=1C=CC(=O)OC(C)(C)C)C(=O)OCC,2.9444826721501687,Lacidipine
CC1=NC(C)=C(C(O)=O)C(=C1C(=O)OC)C1C=C(C=CC=1F)[N+]([O-])=O,3500.0,4.0,3.0,0.0,348.28600000000006,16.0,6.0,CC1=NC(C)=C(C(O)=O)C(=C1C(=O)OC)C1C=C(C=CC=1F)[N+]([O-])=O,3.5440680443502757,TEI 1365
CC1=NC(C)=C(Cl)C(O)=C1Cl,10001.0,3.0,2.0,0.0,192.045,7.0,1.0,CC1=NC(C)=C(Cl)C(O)=C1Cl,4.000043427276863,Clopidol
CC1=NC(COC(N)=O)=C(C(C1C(=O)OC)C1C=CC=C(Cl)C=1Cl)C(=O)OC(C)C,7500.0,4.0,0.0,0.0,457.3100000000002,20.0,6.0,CC1=NC(COC(N)=O)=C(C(C1C(=O)OC)C1C=CC=C(Cl)C=1Cl)C(=O)OC(C)C,3.8750612633917,Lemildipine
CC1=NC(N)=C(CN(C=O)C(C)=C(CCOC(=O)C(C)C)SSC(CCOC(=O)C(C)C)=C(C)N(CC2C=NC(C)=NC=2N)C=O)C=N1,7500.0,1.0,0.0,3.0,702.9039999999999,32.0,6.0,CC1=NC(N)=C(CN(C=O)C(C)=C(CCOC(=O)C(C)C)SSC(CCOC(=O)C(C)C)=C(C)N(CC2C=NC(C)=NC=2N)C=O)C=N1,3.8750612633917,Bisibutiamine
CC1=NC(NCC)=NC(O)=C1CCCC,4000.0,4.0,1.0,0.0,209.293,11.0,1.0,CC1=NC(NCC)=NC(O)=C1CCCC,3.6020599913279625,Ethirimol
CC1=NC(NCC)=NC(OS(=O)(=O)N(C)C)=C1CCCC,4000.0,4.0,2.0,0.0,316.4270000000001,13.0,3.0,CC1=NC(NCC)=NC(OS(=O)(=O)N(C)C)=C1CCCC,3.6020599913279625,Bupirimate
CC1=NC2=CC(=NN2C=C1C(=O)OCC)OP(=S)(OCC)OCC,184.5,4.0,1.0,0.0,373.37100000000015,14.0,5.0,CC1=NC2=CC(=NN2C=C1C(=O)OCC)OP(=S)(OCC)OCC,2.265996370495079,Pyrazophos
CC1=NC2=CC(Cl)=CC=C2O1,1000.0,3.0,2.0,0.0,167.59499999999997,8.0,1.0,CC1=NC2=CC(Cl)=CC=C2O1,3.0,5-Chloro-2-methylbenzoxazole
CC1=NC2=CC=CC=C2C(=O)N1C1=CC=CC=C1C#N,1000.0,4.0,3.0,0.0,261.28399999999993,16.0,1.0,CC1=NC2=CC=CC=C2C(=O)N1C1=CC=CC=C1C#N,3.0,"Benzonitrile, 2-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, monohydrochloride"
CC1=NC2=CC=CC=C2C(=O)N1C1C=CC(Br)=CC=1C,240.0,4.0,2.0,0.0,329.1970000000001,16.0,1.0,CC1=NC2=CC=CC=C2C(=O)N1C1C=CC(Br)=CC=1C,2.380211241711606,"4(3H)-Quinazolinone, 3-(4-bromo-o-tolyl)-2-methyl-, monohydrochloride"
CC1=NC2=CC=CC=C2C(=O)N1C1C=CC=CC=1C,185.0,4.0,3.0,0.0,250.301,16.0,1.0,CC1=NC2=CC=CC=C2C(=O)N1C1C=CC=CC=1C,2.2671717284030137,Methaqualone
CC1=NC2=CC=CC=C2[Se]1,471.0,3.0,2.0,0.0,196.11099999999993,8.0,0.0,CC1=NC2=CC=CC=C2[Se]1,2.673020907128896,"Benzoselenazole, 2-methyl-"
CC1=NC2C(=CC=CC=2C)[Se]1,1060.0,4.0,2.0,0.0,210.138,9.0,0.0,CC1=NC2C(=CC=CC=2C)[Se]1,3.0253058652647704,"Benzoselenazole, 2,5-dimethyl-"
CC1=NC2C=CC(=CC=2C1(C)C)C(O)=O,7500.0,4.0,2.0,0.0,203.24099999999996,12.0,2.0,CC1=NC2C=CC(=CC=2C1(C)C)C(O)=O,3.8750612633917,"2,3,3-Trimethyl-3H-indole-5-carboxylic acid"
CC1=NC2C=NC3=CC=CC=C3C=2S1,950.0,4.0,2.0,0.0,200.266,11.0,0.0,CC1=NC2C=NC3=CC=CC=C3C=2S1,2.9777236052888476,"Thiazolo(4,5-c)quinoline, 2-methyl-, monoethanesulfonate"
CC1=NC=C(C)N=C1C,806.0,1.0,2.0,0.0,122.171,7.0,0.0,CC1=NC=C(C)N=C1C,2.906335041805091,"2,3,5-Trimethylpyrazine"
CC1=NC=C(CNC(=O)N(CCCl)N=O)C(N)=N1,113.0,4.0,3.0,0.0,272.69599999999997,9.0,2.0,CC1=NC=C(CNC(=O)N(CCCl)N=O)C(N)=N1,2.0530784434834195,Nimustine hydrochloride
CC1=NC=C(CO)C(CO)=C1O,4000.0,4.0,2.0,0.0,169.18,8.0,3.0,CC1=NC=C(CO)C(CO)=C1O,3.6020599913279625,Pyridoxine hydrochloride
CC1=NC=C(N1CC(O)CCl)[N+]([O-])=O,1780.0,4.0,2.0,0.0,219.628,7.0,3.0,CC1=NC=C(N1CC(O)CCl)[N+]([O-])=O,3.250420002308894,Ornidazole
CC1=NC=C(N1CCO)[N+]([O-])=O,4375.0,4.0,2.0,0.0,171.15599999999998,6.0,3.0,CC1=NC=C(N1CCO)[N+]([O-])=O,3.640978057358332,Metronidazole
CC1=NC=C(N1CCS(=O)(=O)CC)[N+]([O-])=O,3105.0,4.0,2.0,0.0,247.276,8.0,4.0,CC1=NC=C(N1CCS(=O)(=O)CC)[N+]([O-])=O,3.492061604512599,Tinidazole
CC1=NC=C(OC)S1,1250.0,1.0,2.0,0.0,129.184,5.0,1.0,CC1=NC=C(OC)S1,3.0969100130080562,"Thiazole, 5-methoxy-2-methyl-"
CC1=NC=C2CN=C(C3=CC=CC=C3F)C3=CC(Cl)=CC=C3N21,735.0,4.0,2.0,0.0,325.77400000000006,18.0,0.0,CC1=NC=C2CN=C(C3=CC=CC=C3F)C3=CC(Cl)=CC=C3N21,2.8662873390841948,Midazolam hydrochloride
CC1=NC=CN1C,1300.0,1.0,2.0,0.0,96.133,5.0,0.0,CC1=NC=CN1C,3.113943352306837,"1H-Imidazole, 1,2-dimethyl-"
CC1=NC=CN1CC1C=CC=CC=1,1000.0,4.0,2.0,0.0,172.23100000000002,11.0,0.0,CC1=NC=CN1CC1C=CC=CC=1,3.0,"1H-Imidazole, 2-methyl-1-(phenylmethyl)-"
CC1=NC=CN1CCC1N=C(N)N=C(N)N=1,3500.0,4.0,2.0,0.0,219.252,9.0,0.0,CC1=NC=CN1CCC1N=C(N)N=C(N)N=1,3.5440680443502757,"1,3,5-Triazine-2,4-diamine, 6-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-"
CC1=NC=CN=C1CC,600.0,1.0,2.0,0.0,122.17099999999998,7.0,0.0,CC1=NC=CN=C1CC,2.7781512503836434,3-Ethyl-2-methylpyrazine
CC1=NC=CN=C1N1CCCCC1,730.0,4.0,2.0,0.0,177.25099999999995,10.0,0.0,CC1=NC=CN=C1N1CCCCC1,2.863322860120456,"Pyrazine, 2-methyl-3-piperidino-, monohydrochloride"
CC1=NN(C(=O)N1C(F)F)C1=CC(NS(C)(=O)=O)=C(Cl)C=C1Cl,3327.5,4.0,2.0,0.0,387.1950000000001,11.0,3.0,CC1=NN(C(=O)N1C(F)F)C1=CC(NS(C)(=O)=O)=C(Cl)C=C1Cl,3.5221180641467127,Sulfentrazone
CC1=NN(C)C(O)=C1C(O)C1C=CC(=CC=1S(C)(=O)=O)C(F)(F)F,2751.0,4.0,1.0,0.0,364.3450000000001,14.0,4.0,CC1=NN(C)C(O)=C1C(O)C1C=CC(=CC=1S(C)(=O)=O)C(F)(F)F,3.4394905903896835,Pyrasulfotole
CC1=NN(C)C(OC2C=CC=CC=2)=C1C=NOCC1=CC=C(C=C1)C(=O)OC(C)(C)C,333.0,4.0,0.0,1.0,421.49700000000024,24.0,4.0,CC1=NN(C)C(OC2C=CC=CC=2)=C1C=NOCC1=CC=C(C=C1)C(=O)OC(C)(C)C,2.5224442335063197,Fenpyroximate
CC1=NN(C)C(OCC(=O)C2C=CC=CC=2)=C1C(=O)C1C=CC(Cl)=CC=1Cl,1644.0,4.0,0.0,0.0,403.2650000000001,20.0,3.0,CC1=NN(C)C(OCC(=O)C2C=CC=CC=2)=C1C(=O)C1C=CC(Cl)=CC=1Cl,3.215901813204032,Pyrazoxyfen
CC1=NN(C2=CC(=CC=C2)S(O)(=O)=O)C(=O)C1N=NC1C=C(Cl)C(Cl)=CC=1S(O)(=O)=O,7500.0,3.0,1.0,1.0,507.3330000000002,16.0,7.0,CC1=NN(C2=CC(=CC=C2)S(O)(=O)=O)C(=O)C1N=NC1C=C(Cl)C(Cl)=CC=1S(O)(=O)=O,3.8750612633917,"Benzenesulfonic acid, 4,5-dichloro-2-[2-[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-, calcium salt (1:1)"
CC1=NN(C2=CC(CC(Cl)C(=O)OCC)=C(Cl)C=C2F)C(=O)N1C(F)F,6321.5,4.0,1.0,0.0,412.1950000000001,15.0,3.0,CC1=NN(C2=CC(CC(Cl)C(=O)OCC)=C(Cl)C=C2F)C(=O)N1C(F)F,3.8008201422741443,Carfentrazone-ethyl
CC1=NN(C2=CC(Cl)=C(C=C2Cl)S(O)(=O)=O)C(=O)C1N=NC1C=C(C=CC=1S(O)(=O)=O)NC(=O)OCCCCCCCCCCCC,7500.0,0.0,0.0,2.0,734.6810000000002,29.0,9.0,CC1=NN(C2=CC(Cl)=C(C=C2Cl)S(O)(=O)=O)C(=O)C1N=NC1C=C(C=CC=1S(O)(=O)=O)NC(=O)OCCCCCCCCCCCC,3.8750612633917,C.I. Acid Yellow 218
CC1=NN(C2C=C(C=CC=2)S(O)(=O)=O)C(=O)C1N=NC1C=C(Cl)C(C)=CC=1S(O)(=O)=O,2751.0,3.0,1.0,0.0,486.9150000000002,17.0,7.0,CC1=NN(C2C=C(C=CC=2)S(O)(=O)=O)C(=O)C1N=NC1C=C(Cl)C(C)=CC=1S(O)(=O)=O,3.4394905903896835,C.I. Pigment 191
CC1=NN(C2C=C(C=CC=2Cl)S(O)(=O)=O)C(=O)C1N=NC1C=C(Cl)C=CC=1OC1=CC=CC=C1Cl,10001.0,1.0,0.0,2.0,553.8110000000001,22.0,5.0,CC1=NN(C2C=C(C=CC=2Cl)S(O)(=O)=O)C(=O)C1N=NC1C=C(Cl)C=CC=1OC1=CC=CC=C1Cl,4.000043427276863,"Benzenesulfonic acid, 4-chloro-3-[4-[2-[5-chloro-2-(2-chlorophenoxy)phenyl]diazenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, sodium salt (1:1)"
CC1=NN(C2C=CC(=CC=2)S(O)(=O)=O)C(=O)C1N=NC1=CC=CC=C1C(O)=O,10001.0,4.0,2.0,0.0,402.3880000000001,17.0,6.0,CC1=NN(C2C=CC(=CC=2)S(O)(=O)=O)C(=O)C1N=NC1=CC=CC=C1C(O)=O,4.000043427276863,"Disodium 2-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)azo)benzoate"
CC1=NN(C2C=CC(C)=CC=2)C(=O)C1N=NC1=CC=C(C=C1Cl)C1=CC(Cl)=C(C=C1)N=NC1C(=O)N(N=C1C)C1C=CC(C)=CC=1,10000.0,0.0,0.0,2.0,651.5580000000001,34.0,2.0,CC1=NN(C2C=CC(C)=CC=2)C(=O)C1N=NC1=CC=C(C=C1Cl)C1=CC(Cl)=C(C=C1)N=NC1C(=O)N(N=C1C)C1C=CC(C)=CC=1,4.0,CERAPP_36092
CC1=NN(C2C=CC=CC=2)C(=O)C1=CC1C(=O)N(N=C1C)C1C=CC=CC=1,6400.0,4.0,2.0,0.0,358.401,21.0,2.0,CC1=NN(C2C=CC=CC=2)C(=O)C1=CC1C(=O)N(N=C1C)C1C=CC=CC=1,3.806179973983887,"3H-Pyrazol-3-one, 4-[(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)methyl]-2,4-dihydro-5-methyl-2-phenyl-"
CC1=NN(C2C=CC=CC=2)C(=O)C1N=NC1=CC=C(C=C1Cl)C1=CC(Cl)=C(C=C1)N=NC1C(=O)N(N=C1C)C1C=CC=CC=1,10001.0,1.0,0.0,2.0,623.5040000000001,32.0,2.0,CC1=NN(C2C=CC=CC=2)C(=O)C1N=NC1=CC=C(C=C1Cl)C1=CC(Cl)=C(C=C1)N=NC1C(=O)N(N=C1C)C1C=CC=CC=1,4.000043427276863,Pyrazolone Orange
CC1=NN(C2C=CC=CC=2)C(=O)C1N=NC1C=C(C(=CC=1)C1=CC=C(C=C1S(O)(=O)=O)N=NC1C(=O)N(N=C1C)C1C=CC=CC=1)S(O)(=O)=O,2387.0,1.0,0.0,4.0,714.7420000000004,32.0,8.0,CC1=NN(C2C=CC=CC=2)C(=O)C1N=NC1C=C(C(=CC=1)C1=CC=C(C=C1S(O)(=O)=O)N=NC1C(=O)N(N=C1C)C1C=CC=CC=1)S(O)(=O)=O,3.3778524190067545,C.I. Acid Yellow 42
CC1=NN(N=C1C1C=CC=CC=1)C1C=C2OC(=O)C(=CC2=CC=1)C1C=CC=CC=1,2500.0,4.0,1.0,1.0,379.4190000000001,24.0,2.0,CC1=NN(N=C1C1C=CC=CC=1)C1C=C2OC(=O)C(=CC2=CC=1)C1C=CC=CC=1,3.3979400086720375,"2H-1-Benzopyran-2-one, 7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)-3-phenyl-"
CC1=NN2C(=NC3=CC=CC=C3C2=O)C1N=NC1C=CC(Cl)=CC=1[N+]([O-])=O,7500.0,4.0,1.0,0.0,382.76700000000005,17.0,3.0,CC1=NN2C(=NC3=CC=CC=C3C2=O)C1N=NC1C=CC(Cl)=CC=1[N+]([O-])=O,3.8750612633917,"Pyrazolo[5,1-b]quinazolin-9(1H)-one, 3-[2-(4-chloro-2-nitrophenyl)diazenyl]-2-methyl-"
CC1=NN=C(C(=O)N1N)C1C=CC=CC=1,1315.0,4.0,2.0,0.0,202.217,10.0,1.0,CC1=NN=C(C(=O)N1N)C1C=CC=CC=1,3.1189257528257768,Metamitron
CC1=NN=C(C2=CC(OC)=C(C=C2C1CC)OC)C1C=C(OC)C(=CC=1)OC,825.0,4.0,0.0,0.0,382.4600000000002,22.0,4.0,CC1=NN=C(C2=CC(OC)=C(C=C2C1CC)OC)C1C=C(OC)C(=CC=1)OC,2.916453948549925,Tofisopam
CC1=NN=C(NS(=O)(=O)C2C=CC(N)=CC=2)S1,3500.0,4.0,3.0,0.0,270.339,9.0,2.0,CC1=NN=C(NS(=O)(=O)C2C=CC(N)=CC=2)S1,3.5440680443502757,Sulfamethizole
CC1=NN=C(S1)SCC1CSC2C(NC(=O)CN3C=NN=N3)C(=O)N2C=1C(O)=O,10001.0,3.0,1.0,2.0,454.5190000000002,14.0,4.0,CC1=NN=C(S1)SCC1CSC2C(NC(=O)CN3C=NN=N3)C(=O)N2C=1C(O)=O,4.000043427276863,Cefazolin
CC1=NN=C2CN=C(C3=CC(Cl)=CC=C3N21)C1C=CC=CC=1,1888.0,4.0,2.0,0.0,308.77200000000005,17.0,0.0,CC1=NN=C2CN=C(C3=CC(Cl)=CC=C3N21)C1C=CC=CC=1,3.27600198996205,Alprazolam
CC1=NN=C2CN=C(C3=CC=CC=C3Cl)C3C=C(CC)SC=3N12,3509.0,4.0,2.0,0.0,342.855,17.0,0.0,CC1=NN=C2CN=C(C3=CC=CC=C3Cl)C3C=C(CC)SC=3N12,3.5451833682154064,Etizolam
CC1=NN=C2CN=C(C3C=C(Cl)C=CC=3N21)C1C=CC=CC=1Cl,7500.0,4.0,2.0,0.0,343.21700000000004,17.0,0.0,CC1=NN=C2CN=C(C3C=C(Cl)C=CC=3N21)C1C=CC=CC=1Cl,3.8750612633917,Triazolam
CC1=NN=NN1CCCC(=O)N(CC)CC,500.0,4.0,1.0,0.0,225.296,10.0,1.0,CC1=NN=NN1CCCC(=O)N(CC)CC,2.6989700043360187,"1H-Tetrazole-1-butanamide, N,N-diethyl-5-methyl-"
CC1=NOC(=O)C1N=NC1C=CC=CC=1Cl,126.0,4.0,2.0,0.0,237.646,10.0,2.0,CC1=NOC(=O)C1N=NC1C=CC=CC=1Cl,2.100370545117563,Drazoxolon
CC1=NSC(NC(=O)C2C=CC=CC=2)=C1C(=O)NC1C=CC(Cl)=CC=1,3000.0,4.0,1.0,0.0,371.8490000000001,18.0,2.0,CC1=NSC(NC(=O)C2C=CC=CC=2)=C1C(=O)NC1C=CC(Cl)=CC=1,3.4771212547196626,Denotivir
CC1=[N+](C)C2C=CC3C=CC=CC=3C=2C1(C)C,175.0,4.0,1.0,0.0,224.32699999999997,16.0,0.0,CC1=[N+](C)C2C=CC3C=CC=CC=3C=2C1(C)C,2.2430380486862944,"1H-Benz[e]indolium, 1,1,2,3-tetramethyl-, 4-methylbenzenesulfonate (1:1)"
CC1=[N+](C)C2C=CC=CC=2C1(C)C,707.0,4.0,2.0,0.0,174.26699999999994,12.0,0.0,CC1=[N+](C)C2C=CC=CC=2C1(C)C,2.8494194137968996,"3H-Indolium, 1,2,3,3-tetramethyl-, iodide (1:1)"
CC1=[N+](CCCCS([O-])(=O)=O)C2=CC=C3C=CC=CC3=C2C1(C)C,3500.0,4.0,1.0,0.0,345.4640000000001,19.0,3.0,CC1=[N+](CCCCS([O-])(=O)=O)C2=CC=C3C=CC=CC3=C2C1(C)C,3.5440680443502757,"1H-Benz[e]indolium, 1,1,2-trimethyl-3-(4-sulfobutyl)-, inner salt"
CC1C(=C(C(=C(C)C=1C)[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O,6000.0,4.0,2.0,0.0,266.29699999999997,13.0,4.0,CC1C(=C(C(=C(C)C=1C)[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O,3.7781512503836434,"1-tert-Butyl-3,4,5-trimethyl-2,6-dinitrobenzene"
CC1C(=C(C)C=C(C)C=1NC1=CC=C(NC2C(C)=C(C(C)=CC=2C)S(O)(=O)=O)C2=C1C(=O)C1=CC=CC=C1C2=O)S(O)(=O)=O,3350.0,0.0,0.0,2.0,634.7320000000003,32.0,8.0,CC1C(=C(C)C=C(C)C=1NC1=CC=C(NC2C(C)=C(C(C)=CC=2C)S(O)(=O)=O)C2=C1C(=O)C1=CC=CC=C1C2=O)S(O)(=O)=O,3.525044807036845,C.I. Acid Blue 80
CC1C(=C(NC(CC)CC)C(=CC=1C)[N+]([O-])=O)[N+]([O-])=O,1150.0,4.0,1.0,0.0,281.312,13.0,4.0,CC1C(=C(NC(CC)CC)C(=CC=1C)[N+]([O-])=O)[N+]([O-])=O,3.060697840353612,Pendimethalin
CC1C(=C2C(=CC=1[N+]([O-])=O)C(C)(C)CC2(C)C)[N+]([O-])=O,7500.0,4.0,2.0,0.0,278.308,14.0,4.0,CC1C(=C2C(=CC=1[N+]([O-])=O)C(C)(C)CC2(C)C)[N+]([O-])=O,3.8750612633917,"1,1,3,3,5-Pentamethyl-4,6-dinitro-2,3-dihydro-1H-indene"
CC1C(=CC(=C(OC)C=1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O,339.0,4.0,3.0,0.0,268.26899999999995,12.0,5.0,CC1C(=CC(=C(OC)C=1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O,2.530199698203082,Musk ambrette
CC1C(=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O)C(N)=O,600.0,4.0,2.0,0.0,225.16,8.0,5.0,CC1C(=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O)C(N)=O,2.7781512503836434,Zoalene
CC1C(=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O,977.0,4.0,2.0,0.0,227.132,7.0,6.0,CC1C(=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O,2.989894563718773,"2,4,6-Trinitrotoluene"
CC1C(=CC2=CC=C(C=C2)S(C)=O)C2C=CC(F)=CC=2C=1CC(O)=O,264.0,4.0,1.0,0.0,356.41800000000006,20.0,3.0,CC1C(=CC2=CC=C(C=C2)S(C)=O)C2C=CC(F)=CC=2C=1CC(O)=O,2.4216039268698313,Sulindac
CC1C(=CC=CC=1C(=O)Cl)OC,3162.0,4.0,2.0,0.0,184.62199999999996,9.0,2.0,CC1C(=CC=CC=1C(=O)Cl)OC,3.49996186559619,"Benzoyl chloride, 3-methoxy-2-methyl-"
CC1C(=CC=CC=1C)C#N,3000.0,2.0,2.0,0.0,131.178,9.0,0.0,CC1C(=CC=CC=1C)C#N,3.4771212547196626,"2,3-Dimethylbenzonitrile"
CC1C(=CC=CC=1C)N1CCN(CCN2C(=O)C3=C(N=CN3C)N(C)C2=O)CC1,3500.0,4.0,1.0,0.0,396.49500000000023,21.0,2.0,CC1C(=CC=CC=1C)N1CCN(CCN2C(=O)C3=C(N=CN3C)N(C)C2=O)CC1,3.5440680443502757,"Theobromine, 1-(2-(4-(2,3-dimethylphenyl)-1-piperazinyl)ethyl)-, dihydrochloride"
CC1C(=CC=CC=1C)NC1=CC(Cl)=NC(=N1)SCC(=O)NCCO,7500.0,4.0,1.0,0.0,366.87400000000014,16.0,2.0,CC1C(=CC=CC=1C)NC1=CC(Cl)=NC(=N1)SCC(=O)NCCO,3.8750612633917,"4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio(N-beta-hydroxyethyl)acetamide"
CC1C(=CC=CC=1C)NC1C=C(Cl)N=C(N=1)SCC(O)=O,2213.0,4.0,2.0,0.0,323.80500000000006,14.0,2.0,CC1C(=CC=CC=1C)NC1C=C(Cl)N=C(N=1)SCC(O)=O,3.344981413927258,Pirinixic acid
CC1C(=CC=CC=1C)NC1C=CC=CC=1C(O)=O,740.0,4.0,1.0,0.0,241.29,15.0,2.0,CC1C(=CC=CC=1C)NC1C=CC=CC=1C(O)=O,2.8692317197309762,Mefenamic acid
CC1C(=CC=CC=1C)S(O)(=O)=O,2755.0,4.0,2.0,0.0,186.232,8.0,3.0,CC1C(=CC=CC=1C)S(O)(=O)=O,3.4401216031878037,Xylenesulfonic acid
CC1C(=CC=CC=1[N+]([O-])=O)[N+]([O-])=O,177.0,3.0,2.0,0.0,182.13499999999996,7.0,4.0,CC1C(=CC=CC=1[N+]([O-])=O)[N+]([O-])=O,2.247973266361807,"2,6-Dinitrotoluene"
CC1C(=N)C(=O)C2C(COC(N)=O)C3(OC)C4NC4CN3C=2C1=O,30.0,3.0,3.0,0.0,334.33200000000005,15.0,5.0,CC1C(=N)C(=O)C2C(COC(N)=O)C3(OC)C4NC4CN3C=2C1=O,1.4771212547196624,Mitomycin C
CC1C(=NC(=NC=1N)C(CC(N)=O)NCC(N)C(N)=O)C(=O)NC(C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)C1=CNC=N1)C(=O)NC(C)C(O)C(C)C(=O)NC(C(C)O)C(=O)NCCC1=NC(=CS1)C1=NC(=CS1)C(=O)NCCCNC(C)C1=CC=CC=C1,3500.0,0.0,1.0,3.0,1473.6140000000005,61.0,21.0,CC1C(=NC(=NC=1N)C(CC(N)=O)NCC(N)C(N)=O)C(=O)NC(C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)C1=CNC=N1)C(=O)NC(C)C(O)C(C)C(=O)NC(C(C)O)C(=O)NCCC1=NC(=CS1)C1=NC(=CS1)C(=O)NCCCNC(C)C1=CC=CC=C1,3.5440680443502757,Peplomycin sulfate
CC1C(=O)C(=C(C(COC(N)=O)OC)C(=O)C=1N1CC1)N1CC1,27.3,3.0,2.0,0.0,321.3330000000001,15.0,5.0,CC1C(=O)C(=C(C(COC(N)=O)OC)C(=O)C=1N1CC1)N1CC1,1.436162647040756,Carboquone
CC1C(=O)C(=O)C=CN1C,3500.0,1.0,2.0,0.0,139.154,7.0,2.0,CC1C(=O)C(=O)C=CN1C,3.5440680443502757,Deferiprone
CC1C(=O)C(C(CCCCCC(O)=O)C2C=CC=CC=2)=C(C)C(=O)C=1C,3750.0,4.0,0.0,0.0,354.446,22.0,4.0,CC1C(=O)C(C(CCCCCC(O)=O)C2C=CC=CC=2)=C(C)C(=O)C=1C,3.574031267727719,"(+-)-7-(3,5,6-trimethyl-1,4-benzoquinon-2-yl)-7-phenylheptanoic acid"
CC1C(=O)C(OC)=C(OC)C(=O)C=1CCCCCCCCCCO,10000.0,4.0,2.0,0.0,338.444,19.0,5.0,CC1C(=O)C(OC)=C(OC)C(=O)C=1CCCCCCCCCCO,4.0,Idebenone
CC1C(=O)C2C=CC(OC)=C(CN(C)C)C=2OC=1C1C=CC=CC=1,27.0,4.0,1.0,0.0,323.3920000000001,20.0,3.0,CC1C(=O)C2C=CC(OC)=C(CN(C)C)C=2OC=1C1C=CC=CC=1,1.4313637641589874,Dimefline
CC1C(=O)C2C=CC=C(C(=O)OC(C)(C)CN3CCCCC3)C=2OC=1C1C=CC=CC=1,1977.0,4.0,0.0,1.0,419.52100000000024,26.0,4.0,CC1C(=O)C2C=CC=C(C(=O)OC(C)(C)CN3CCCCC3)C=2OC=1C1C=CC=CC=1,3.2960066693136723,Terflavoxate hydrochloride
CC1C(=O)C=C(C)C(=O)C=1C,200.0,3.0,2.0,0.0,150.177,9.0,2.0,CC1C(=O)C=C(C)C(=O)C=1C,2.3010299956639813,"2,5-Cyclohexadiene-1,4-dione, 2,3,5-trimethyl-"
CC1C(=O)OC2CCN3CC=C(COC(=O)C(C)(O)C1(C)O)C32,66.0,4.0,3.0,0.0,325.361,16.0,6.0,CC1C(=O)OC2CCN3CC=C(COC(=O)C(C)(O)C1(C)O)C32,1.8195439355418688,Monocrotaline
CC1C(C(=O)NC2C=CC=CC=2)=C(C)OC=1C,1470.0,4.0,2.0,0.0,229.279,14.0,2.0,CC1C(C(=O)NC2C=CC=CC=2)=C(C)OC=1C,3.167317334748176,Methfuroxam
CC1C(C(=O)NCCO)=[N+]([O-])C2C=CC=CC=2[N+]=1[O-],1717.0,3.0,3.0,0.0,263.253,12.0,4.0,CC1C(C(=O)NCCO)=[N+]([O-])C2C=CC=CC=2[N+]=1[O-],3.2347702951609163,Olaquindox
CC1C(C)(C)C2C(CCC3=CN=CN=C32)C1(C)C,1150.0,4.0,1.0,0.0,244.382,16.0,0.0,CC1C(C)(C)C2C(CCC3=CN=CN=C32)C1(C)C,3.060697840353612,"5H-Cyclopenta[h]quinazoline, 6,6a,7,8,9,9a-hexahydro-7,7,8,9,9-pentamethyl-"
CC1C(C)(C)C2C=CC=CC=2C1(C)C,4500.0,4.0,1.0,0.0,188.31399999999996,14.0,0.0,CC1C(C)(C)C2C=CC=CC=2C1(C)C,3.6532125137753435,"1H-Indene, 2,3-dihydro-1,1,2,3,3-pentamethyl-"
CC1C(C)(C)C2CCC3COCOC3C=2C1(C)C,3125.0,4.0,2.0,0.0,250.38199999999992,16.0,2.0,CC1C(C)(C)C2CCC3COCOC3C=2C1(C)C,3.494850021680094,"Indeno[4,5-d]-1,3-dioxin, 4,4a,5,6,7,8,9,9b-octahydro-7,7,8,9,9-pentamethyl-"
CC1C(CC(=O)C=1CC=C)OC(=O)C1C(C)(C)C1(C)C,174.0,4.0,2.0,0.0,276.376,17.0,3.0,CC1C(CC(=O)C=1CC=C)OC(=O)C1C(C)(C)C1(C)C,2.2405492482826,Terallethrin
CC1C(CCN1CC1C=CC=CC=1)NC(=O)C1=CC(Cl)=C(C=C1OC)NC,367.0,4.0,0.0,0.0,387.91100000000006,21.0,2.0,CC1C(CCN1CC1C=CC=CC=1)NC(=O)C1=CC(Cl)=C(C=C1OC)NC,2.5646660642520893,Nemonapride
CC1C(CC[N+]1(CC)CC)=C(C1C=CC=CC=1)C1C=CC=CC=1,1090.0,4.0,2.0,1.0,306.47300000000007,22.0,0.0,CC1C(CC[N+]1(CC)CC)=C(C1C=CC=CC=1)C1C=CC=CC=1,3.037426497940624,Prifinium bromide
CC1C(Cl)=C(C=CC=1Cl)OC(C)/C(/O)=N/C1C=CC=CC=1,7500.0,4.0,2.0,1.0,324.207,16.0,2.0,CC1C(Cl)=C(C=CC=1Cl)OC(C)/C(/O)=N/C1C=CC=CC=1,3.8750612633917,Clomeprop
CC1C(Cl)=C(O)C=C(C)C=1Cl,3500.0,3.0,2.0,0.0,191.057,8.0,1.0,CC1C(Cl)=C(O)C=C(C)C=1Cl,3.5440680443502757,"2,4-Dichloro-3,5-dimethylphenol"
CC1C(Cl)=C(O)C=CC=1Cl,3200.0,3.0,2.0,0.0,177.03,7.0,1.0,CC1C(Cl)=C(O)C=CC=1Cl,3.505149978319906,"Phenol, 2,4-dichloro-3-methyl-"
CC1C(Cl)=CC(=CC=1Cl)C(=O)NC(C)(CC)C(=O)CCl,7500.0,4.0,1.0,0.0,336.6460000000001,14.0,2.0,CC1C(Cl)=CC(=CC=1Cl)C(=O)NC(C)(CC)C(=O)CCl,3.8750612633917,Zoxamide
CC1C(Cl)=CC(=CC=1Cl)C1C=CC(O)=NN=1,10001.0,4.0,3.0,0.0,255.104,11.0,1.0,CC1C(Cl)=CC(=CC=1Cl)C1C=CC(O)=NN=1,4.000043427276863,Diclomezine
CC1C(Cl)=CC=CC=1NC1N=CC=CC=1C(O)=O,335.0,4.0,3.0,0.0,262.69599999999997,13.0,2.0,CC1C(Cl)=CC=CC=1NC1N=CC=CC=1C(O)=O,2.525044807036845,Clonixin
CC1C(Cl)=CC=CC=1[N+]([O-])=O,2409.0,3.0,2.0,0.0,171.58299999999997,7.0,2.0,CC1C(Cl)=CC=CC=1[N+]([O-])=O,3.3818367999983434,1-Chloro-2-methyl-3-nitrobenzene
CC1C(F)=C(C=C2C=1C(=O)C(=CN2C1CC1)C(O)=O)N1CCNC(C)C1,3029.0,4.0,2.0,0.0,359.4010000000001,19.0,3.0,CC1C(F)=C(C=C2C=1C(=O)C(=CN2C1CC1)C(O)=O)N1CCNC(C)C1,3.481299273332856,Grepafloxacin
CC1C(N)=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O,1394.0,4.0,2.0,0.0,197.15,7.0,4.0,CC1C(N)=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O,3.144262773761991,"2-Amino-4,6-dinitrotoluene"
CC1C(N)=CC=CC=1N,1750.0,2.0,2.0,0.0,122.17099999999998,7.0,0.0,CC1C(N)=CC=CC=1N,3.2430380486862944,"2,6-Diaminotoluene dihydrochloride"
CC1C(N=NC2=CC(Cl)=C(Cl)C=C2)C(=O)N(C)C(=O)C=1C#N,7500.0,4.0,3.0,0.0,337.16600000000005,14.0,2.0,CC1C(N=NC2=CC(Cl)=C(Cl)C=C2)C(=O)N(C)C(=O)C=1C#N,3.8750612633917,"3-Pyridinecarbonitrile, 5-[(3,4-dichlorophenyl)azo]-1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-"
CC1C(N=NC2=CC=C(C=C2)S(=O)(=O)NCC(CCCC)CC)C(=O)N(CCCC)C(=O)C=1C#N,3375.0,2.0,0.0,1.0,501.6530000000003,25.0,4.0,CC1C(N=NC2=CC=C(C=C2)S(=O)(=O)NCC(CCCC)CC)C(=O)N(CCCC)C(=O)C=1C#N,3.5282737771670436,"Benzenesulfonamide, 4-[2-(1-butyl-5-cyano-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)diazenyl]-N-(2-ethylhexyl)-"
CC1C(N=NC2C=C(C=CC=2)OS(=O)(=O)C2C=CC=CC=2)C(=O)N(C)C(=O)C=1C#N,3500.0,4.0,2.0,0.0,424.43800000000016,20.0,5.0,CC1C(N=NC2C=C(C=CC=2)OS(=O)(=O)C2C=CC=CC=2)C(=O)N(C)C(=O)C=1C#N,3.5440680443502757,"3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-5-[[3-[(phenylsulfonyl)oxy]phenyl]azo]-"
CC1C(N=NC2C=CC(=CC=2)C(=O)OCC2C=CC=CC=2)C(=O)N(CCCC)C(=O)C=1C#N,3500.0,4.0,0.0,0.0,444.4910000000002,25.0,4.0,CC1C(N=NC2C=CC(=CC=2)C(=O)OCC2C=CC=CC=2)C(=O)N(CCCC)C(=O)C=1C#N,3.5440680443502757,"Benzoic acid, 4-[2-(1-butyl-5-cyano-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)diazenyl]-, phenylmethyl ester"
CC1C(N=NC2C=CC(=CC=2)C(=O)OCCOCCOC)C(=O)N(CC)C(=O)C=1C#N,7500.0,4.0,1.0,0.0,428.44500000000033,21.0,6.0,CC1C(N=NC2C=CC(=CC=2)C(=O)OCCOCCOC)C(=O)N(CC)C(=O)C=1C#N,3.8750612633917,"Benzoic acid, 4-[(5-cyano-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)azo]-, 2-(2-methoxyethoxy)ethyl ester"
CC1C(N=NC2C=CC(Cl)=CC=2[N+]([O-])=O)C(=O)N(CC)C(=O)C=1C#N,6995.0,4.0,2.0,0.0,361.7450000000002,15.0,4.0,CC1C(N=NC2C=CC(Cl)=CC=2[N+]([O-])=O)C(=O)N(CC)C(=O)C=1C#N,3.8447877188278463,"5-[(4-Chloro-2-nitrophenyl)azo]-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile"
CC1C(N=NC2C=CC=CC=2[N+]([O-])=O)C(=O)N(CC)C(=O)C=1C#N,7500.0,4.0,3.0,0.0,327.3000000000001,15.0,4.0,CC1C(N=NC2C=CC=CC=2[N+]([O-])=O)C(=O)N(CC)C(=O)C=1C#N,3.8750612633917,"3-Pyridinecarbonitrile, 1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-5-[(2-nitrophenyl)azo]-2-oxo-"
CC1C(NC(=O)C(=NOC(C)(C)C(O)=O)C2=CSC(N)=N2)C(=O)N1S(O)(=O)=O,10000.0,3.0,1.0,0.0,435.44000000000017,13.0,8.0,CC1C(NC(=O)C(=NOC(C)(C)C(O)=O)C2=CSC(N)=N2)C(=O)N1S(O)(=O)=O,4.0,Aztreonam
CC1C(O)=C(C(=O)OC)C(C)=CC=1O,7500.0,4.0,2.0,0.0,196.202,10.0,4.0,CC1C(O)=C(C(=O)OC)C(C)=CC=1O,3.8750612633917,"Methyl 2,4-dihydroxy-3,6-dimethylbenzoate"
CC1C(O)=C(C=C(C)C=1CC1NCCN=1)C(C)(C)C,0.74,4.0,3.0,0.0,260.3809999999999,16.0,1.0,CC1C(O)=C(C=C(C)C=1CC1NCCN=1)C(C)(C)C,-0.13076828026902382,Oxymetazoline hydrochloride
CC1C(O)=CC(C)=C(O)C=1C,3200.0,3.0,2.0,0.0,152.19299999999998,9.0,2.0,CC1C(O)=CC(C)=C(O)C=1C,3.505149978319906,"2,3,5-Trimethylhydroquinone"
CC1C(O)=CC=CC=1O,200.0,1.0,2.0,0.0,124.13899999999995,7.0,2.0,CC1C(O)=CC=CC=1O,2.3010299956639813,"2-Methyl-1,3-benzenediol"
CC1C(SC(=O)N1C(=O)NC1CCCCC1)C1C=CC(Cl)=CC=1,7500.0,4.0,1.0,0.0,352.88700000000017,17.0,2.0,CC1C(SC(=O)N1C(=O)NC1CCCCC1)C1C=CC(Cl)=CC=1,3.8750612633917,Hexythiazox
CC1C2=CC=C(C=C2OC(=O)C=1Cl)OP(=O)(OCC)OCC,10.0,4.0,1.0,0.0,346.7030000000001,14.0,6.0,CC1C2=CC=C(C=C2OC(=O)C=1Cl)OP(=O)(OCC)OCC,1.0,Coumaphos oxon
CC1C2=CC=C3C=CC=CC3=C2C(C)=C2C=CC=CC=12,327.0,3.0,2.0,1.0,256.348,20.0,0.0,CC1C2=CC=C3C=CC=CC3=C2C(C)=C2C=CC=CC=12,2.514547752660286,"7,12-Dimethylbenz(a)anthracene"
CC1C2C(C(=O)C3=C1C=CC=C3O)C(=O)C1(O)C(C(C(=O)C(C(N)=O)C1=O)N(C)C)C2O,2600.0,3.0,1.0,0.0,444.44000000000017,22.0,8.0,CC1C2C(C(=O)C3=C1C=CC=C3O)C(=O)C1(O)C(C(C(=O)C(C(N)=O)C1=O)N(C)C)C2O,3.4149733479708178,Doxycycline
CC1C2C=CC(=CC=2OC(=O)C=1CCN(CC)CC)OCC(=O)OCC,8000.0,4.0,1.0,0.0,361.4380000000001,20.0,5.0,CC1C2C=CC(=CC=2OC(=O)C=1CCN(CC)CC)OCC(=O)OCC,3.9030899869919438,Carbocromen
CC1C2C=CC(=CC=2OC(=O)C=1Cl)OP(=O)(OCC(C)Cl)OCC(C)Cl,686.0,4.0,0.0,1.0,443.6470000000001,16.0,6.0,CC1C2C=CC(=CC=2OC(=O)C=1Cl)OP(=O)(OCC(C)Cl)OCC(C)Cl,2.8363241157067516,
CC1C2C=CC(=CC=2OC(=O)C=1Cl)OP(=S)(OCC)OCC,25.0,4.0,0.0,0.0,362.7710000000001,14.0,5.0,CC1C2C=CC(=CC=2OC(=O)C=1Cl)OP(=S)(OCC)OCC,1.3979400086720377,Coumaphos
CC1C2C=CC(OCC(=O)OCC)=C(Cl)C=2OC(=O)C=1CCN(CC)CC,1250.0,4.0,0.0,0.0,395.88300000000015,20.0,5.0,CC1C2C=CC(OCC(=O)OCC)=C(Cl)C=2OC(=O)C=1CCN(CC)CC,3.0969100130080562,Cloricromen hydrochloride
CC1C2CC(CC1C=O)C2(C)C,2080.0,4.0,2.0,0.0,166.26399999999998,11.0,1.0,CC1C2CC(CC1C=O)C2(C)C,3.3180633349627615,CERAPP_42142
CC1C2CC(CC2C2CC(O)CCC2)C1(C)C,7500.0,4.0,1.0,0.0,236.39899999999992,16.0,1.0,CC1C2CC(CC2C2CC(O)CCC2)C1(C)C,3.8750612633917,"3-(5,5,6-Trimethylbicyclo[2.2.1]hept-2-yl)cyclohexanol"
CC1C2CC3C=CC(O)=CC=3C1(C)CCN2CCC1C=CC=CC=1,90.0,4.0,2.0,0.0,321.46399999999994,22.0,1.0,CC1C2CC3C=CC(O)=CC=3C1(C)CCN2CCC1C=CC=CC=1,1.954242509439325,(+)-Phenazocine hydrobromide
CC1C2CCC(C)(OC=2C(C)=C(C)C=1O)C(O)=O,4300.0,4.0,3.0,0.0,250.29399999999995,14.0,4.0,CC1C2CCC(C)(OC=2C(C)=C(C)C=1O)C(O)=O,3.6334684555795866,"2H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-"
CC1C2CCC(CC(CC)OC(=O)C(C)C3CCC(CC(CC)OC(=O)C(C)C4CCC(CC(CC)OC(=O)C(C)C5CCC(CC(CC)OC1=O)O5)O4)O3)O2,2500.0,0.0,0.0,4.0,793.0480000000001,44.0,12.0,CC1C2CCC(CC(CC)OC(=O)C(C)C3CCC(CC(CC)OC(=O)C(C)C4CCC(CC(CC)OC(=O)C(C)C5CCC(CC(CC)OC1=O)O5)O4)O3)O2,3.3979400086720375,Tetranactin
CC1C=C(C#CC)N=C(NC2C=CC=CC=2)N=1,7500.0,4.0,2.0,0.0,223.279,14.0,0.0,CC1C=C(C#CC)N=C(NC2C=CC=CC=2)N=1,3.8750612633917,Mepanipyrim
CC1C=C(C#N)C(N=NC2C=CC(=CC=2NS(C)(=O)=O)N(CC)CC)=C(C=1)C#N,7500.0,4.0,0.0,0.0,410.5030000000001,20.0,2.0,CC1C=C(C#N)C(N=NC2C=CC(=CC=2NS(C)(=O)=O)N(CC)CC)=C(C=1)C#N,3.8750612633917,"Methanesulfonamide, N-[2-[(2,6-dicyano-4-methylphenyl)azo]-5-(diethylamino)phenyl]-"
CC1C=C(C(=C(C=1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O,3600.0,4.0,2.0,0.0,281.312,13.0,4.0,CC1C=C(C(=C(C=1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O,3.5563025007672873,Dipropalin
CC1C=C(C(=CC=1)N=NC1=C2C=CC=CC2=CC(=C1O)C(O)=O)S(O)(=O)=O,5701.0,4.0,1.0,0.0,386.38500000000016,18.0,6.0,CC1C=C(C(=CC=1)N=NC1=C2C=CC=CC2=CC(=C1O)C(O)=O)S(O)(=O)=O,3.755951041004132,D&C Red No. 7
CC1C=C(C(=CC=1)NC1C=CC(NC2=CC=C(C)C=C2S(O)(=O)=O)=C2C=1C(=O)C1C(C2=O)=C(O)C=CC=1O)S(O)(=O)=O,10000.0,2.0,0.0,1.0,610.6220000000004,28.0,10.0,CC1C=C(C(=CC=1)NC1C=CC(NC2=CC=C(C)C=C2S(O)(=O)=O)=C2C=1C(=O)C1C(C2=O)=C(O)C=CC=1O)S(O)(=O)=O,4.0,Toluidine Green
CC1C=C(C(=CC=1)[N+]([O-])=O)[N+]([O-])=O,807.0,3.0,2.0,0.0,182.135,7.0,4.0,CC1C=C(C(=CC=1)[N+]([O-])=O)[N+]([O-])=O,2.90687353472207,"3,4-Dinitrotoluene"
CC1C=C(C(=CC=1Cl)N=NC1=C2C=CC=CC2=CC(=C1O)C(O)=O)S(O)(=O)=O,6675.0,4.0,1.0,0.0,420.83,18.0,6.0,CC1C=C(C(=CC=1Cl)N=NC1=C2C=CC=CC2=CC(=C1O)C(O)=O)S(O)(=O)=O,3.824451270036613,"2-Naphthalenecarboxylic acid, 4-[(5-chloro-4-methyl-2-sulfophenyl)azo]-3-hydroxy-, barium salt (1:1)"
CC1C=C(C(=NC=1)C1NC(C)(C(C)C)C(=O)N=1)C(O)=O,7500.0,4.0,3.0,0.0,275.308,14.0,3.0,CC1C=C(C(=NC=1)C1NC(C)(C(C)C)C(=O)N=1)C(O)=O,3.8750612633917,Imazapic ammonium salt
CC1C=C(C(N)=CC=1)S(O)(=O)=O,10001.0,4.0,2.0,0.0,187.22000000000003,7.0,3.0,CC1C=C(C(N)=CC=1)S(O)(=O)=O,4.000043427276863,2-Amino-5-methylbenzenesulfonic acid
CC1C=C(C(N)=CC=1Cl)S(O)(=O)=O,10001.0,4.0,2.0,0.0,221.665,7.0,3.0,CC1C=C(C(N)=CC=1Cl)S(O)(=O)=O,4.000043427276863,2-Amino-4-chloro-5-methylbenzenesulfonic acid
CC1C=C(C(O)=C(C)C=1)C(C)(C)C,956.0,4.0,2.0,0.0,178.27499999999998,12.0,1.0,CC1C=C(C(O)=C(C)C=1)C(C)(C)C,2.9804578922761,"6-tert-Butyl-2,4-dimethylphenol"
CC1C=C(C(O)=C(C=1)C(C)(C)C)C(C)(C)C,3445.0,4.0,1.0,0.0,220.356,15.0,1.0,CC1C=C(C(O)=C(C=1)C(C)(C)C)C(C)(C)C,3.5371892262436444,Butylated hydroxytoluene
CC1C=C(C(O)=C(C=1)C(C)(C)C)N1N=C2C=C(Cl)C=CC2=N1,3813.0,4.0,2.0,0.0,315.8040000000001,17.0,1.0,CC1C=C(C(O)=C(C=1)C(C)(C)C)N1N=C2C=C(Cl)C=CC2=N1,3.5812668052736707,Bumetrizole
CC1C=C(C(OC(=O)NC)=C(C=1)C(C)(C)C)C(C)(C)C,10001.0,4.0,2.0,0.0,277.408,17.0,2.0,CC1C=C(C(OC(=O)NC)=C(C=1)C(C)(C)C)C(C)(C)C,4.000043427276863,Terbucarb
CC1C=C(C)C(C)=CC=1C,6989.0,3.0,2.0,0.0,134.22199999999998,10.0,0.0,CC1C=C(C)C(C)=CC=1C,3.8444150404738244,"1,2,4,5-Tetramethylbenzene"
CC1C=C(C)C(C)=CC=1N,1417.5,3.0,2.0,0.0,135.21,9.0,0.0,CC1C=C(C)C(C)=CC=1N,3.1515230675649444,"2,4,5-Trimethylaniline"
CC1C=C(C)C(CNC(=O)C2C=CC=CC=2)=C(C)C=1NC1C=C(C(N)=C2C=1C(=O)C1=CC=CC=C1C2=O)S(O)(=O)=O,7567.0,2.0,0.0,1.0,569.6390000000004,31.0,6.0,CC1C=C(C)C(CNC(=O)C2C=CC=CC=2)=C(C)C=1NC1C=C(C(N)=C2C=1C(=O)C1=CC=CC=C1C2=O)S(O)(=O)=O,3.878923733967567,"2-Anthracenesulfonic acid, 1-amino-4-[[3-[(benzoylamino)methyl]-2,4,6-trimethylphenyl]amino]-9,10-dihydro-9,10-dioxo-, monosodium salt"
CC1C=C(C)C(Cl)=C(O)C=1,3500.0,2.0,2.0,0.0,156.61200000000002,8.0,1.0,CC1C=C(C)C(Cl)=C(O)C=1,3.5440680443502757,"Phenol, 2-chloro-3,5-dimethyl-"
CC1C=C(C)C(N)=CC=1,1259.0,3.0,2.0,0.0,121.183,8.0,0.0,CC1C=C(C)C(N)=CC=1,3.1000257301078626,"2,4-Dimethylaniline hydrochloride"
CC1C=C(C)C=C(C)C=1C,5157.0,3.0,2.0,0.0,134.222,10.0,0.0,CC1C=C(C)C=C(C)C=1C,3.712397131406715,"1,2,3,5-Tetramethylbenzene"
CC1C=C(C)C=C(C)C=1C(=O)Cl,2300.0,4.0,2.0,0.0,182.65,10.0,1.0,CC1C=C(C)C=C(C)C=1C(=O)Cl,3.361727836017593,Mesitoyl chloride
CC1C=C(C)C=C(C)C=1C(=O)P(=O)(C1C=CC=CC=1)C1C=CC=CC=1,6251.0,4.0,2.0,0.0,348.38200000000006,22.0,2.0,CC1C=C(C)C=C(C)C=1C(=O)P(=O)(C1C=CC=CC=1)C1C=CC=CC=1,3.7959494989028033,"Diphenyl(2,4,6-trimethylbenzoyl)phosphine oxide"
CC1C=C(C)C=C(C)C=1C1C(=O)C2=CC=CC=C2C1=O,1000.0,4.0,2.0,0.0,264.32399999999996,18.0,2.0,CC1C=C(C)C=C(C)C=1C1C(=O)C2=CC=CC=C2C1=O,3.0,"1H-Indene-1,3(2H)-dione, 2-(2,4,6-trimethylphenyl)-"
CC1C=C(C)C=C(C)C=1C=O,2751.0,3.0,2.0,0.0,148.20499999999998,10.0,1.0,CC1C=C(C)C=C(C)C=1C=O,3.4394905903896835,"2,4,6-Trimethylbenzaldehyde"
CC1C=C(C)C=C(C)C=1N,701.5,3.0,2.0,0.0,135.21,9.0,0.0,CC1C=C(C)C=C(C)C=1N,2.8460276753643785,"2,4,6-Trimethylaniline"
CC1C=C(C)C=C(C)C=1O,3500.0,3.0,2.0,0.0,136.194,9.0,1.0,CC1C=C(C)C=C(C)C=1O,3.5440680443502757,"2,4,6-Trimethylphenol"
CC1C=C(C)C=C(C)N=1,400.0,2.0,2.0,0.0,121.183,8.0,0.0,CC1C=C(C)C=C(C)N=1,2.6020599913279625,"2,4,6-Trimethylpyridine"
CC1C=C(C)C=CC=1N1C(=O)C2=CC=CC3=C(N)C=CC(=C32)C1=O,3500.0,4.0,2.0,0.0,316.3600000000001,20.0,2.0,CC1C=C(C)C=CC=1N1C(=O)C2=CC=CC3=C(N)C=CC(=C32)C1=O,3.5440680443502757,"1H-Benz[de]isoquinoline-1,3(2H)-dione, 6-amino-2-(2,4-dimethylphenyl)-"
CC1C=C(C)CC(C)C1CO,3500.0,3.0,2.0,0.0,154.253,10.0,1.0,CC1C=C(C)CC(C)C1CO,3.5440680443502757,"2,4,6-Trimethylcyclohex-3-ene-1-methanol"
CC1C=C(C)CCC1COC(C)=O,3500.0,4.0,2.0,0.0,182.263,11.0,2.0,CC1C=C(C)CCC1COC(C)=O,3.5440680443502757,"2,4-Dimethylcyclohex-3-ene-1-methyl acetate"
CC1C=C(C)N=C(N=1)N=NC(C)C1=CC=CC=C1C,525.0,4.0,2.0,0.0,254.33700000000005,15.0,0.0,CC1C=C(C)N=C(N=1)N=NC(C)C1=CC=CC=C1C,2.720159303405957,Ferimzone
CC1C=C(C)N=C(NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)N=1,7500.0,4.0,2.0,0.0,364.3830000000001,15.0,5.0,CC1C=C(C)N=C(NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)N=1,3.8750612633917,Sulfometuron-methyl
CC1C=C(C)N=C(NC2C=CC=CC=2)N=1,4149.0,4.0,2.0,0.0,199.25700000000003,12.0,0.0,CC1C=C(C)N=C(NC2C=CC=CC=2)N=1,3.617943434828973,Pyrimethanil
CC1C=C(C)N=CC=1,200.0,1.0,2.0,0.0,107.156,7.0,0.0,CC1C=C(C)N=CC=1,2.3010299956639813,"2,4-Dimethylpyridine"
CC1C=C(C2CCCCC2)N(O)C(=O)C=1,2350.0,4.0,2.0,0.0,207.273,12.0,2.0,CC1C=C(C2CCCCC2)N(O)C(=O)C=1,3.3710678622717363,Ciclopirox
CC1C=C(C=C(C)C=1CC1NCCN=1)C(C)(C)C,230.0,4.0,2.0,0.0,244.38199999999995,16.0,0.0,CC1C=C(C=C(C)C=1CC1NCCN=1)C(C)(C)C,2.361727836017593,Xylometazoline
CC1C=C(C=C(C)C=1N(C)C)OC(=O)NC,14.0,4.0,2.0,0.0,222.288,12.0,2.0,CC1C=C(C=C(C)C=1N(C)C)OC(=O)NC,1.146128035678238,Mexacarbate
CC1C=C(C=C(C)C=1N(CC=C)CC=C)OC(=O)NC,89.0,4.0,2.0,0.0,274.36400000000003,16.0,2.0,CC1C=C(C=C(C)C=1N(CC=C)CC=C)OC(=O)NC,1.9493900066449128,Allyxycarb
CC1C=C(C=C(C)C=1S(C)(=O)=O)OC(=O)NC,1000.0,4.0,3.0,0.0,257.311,11.0,4.0,CC1C=C(C=C(C)C=1S(C)(=O)=O)OC(=O)NC,3.0,Methiocarb sulfone
CC1C=C(C=C(C)C=1S(C)=O)OC(=O)NC,42.0,4.0,2.0,0.0,241.312,11.0,3.0,CC1C=C(C=C(C)C=1S(C)=O)OC(=O)NC,1.6232492903979006,Methiocarb sulfoxide
CC1C=C(C=C(C)C=1SC)OC(=O)NC,38.0,4.0,2.0,0.0,225.313,11.0,2.0,CC1C=C(C=C(C)C=1SC)OC(=O)NC,1.5797835966168101,Methiocarb
CC1C=C(C=C(C=1)OC(=O)NC)C(C)C,52.0,4.0,2.0,0.0,207.273,12.0,2.0,CC1C=C(C=C(C=1)OC(=O)NC)C(C)C,1.7160033436347992,Promecarb
CC1C=C(C=C(C=1)[N+]([O-])=O)[N+]([O-])=O,216.0,3.0,2.0,0.0,182.135,7.0,4.0,CC1C=C(C=C(C=1)[N+]([O-])=O)[N+]([O-])=O,2.3344537511509307,"3,5-Dinitrotoluene"
CC1C=C(C=C(C=1O)C(C)(C)C)C(C)(CC(=O)OCCOC(=O)CC(C)(C1=CC(=C(O)C=C1)C(C)(C)C)C1=CC(=C(O)C=C1)C(C)(C)C)C1=CC(=C(O)C=C1)C(C)(C)C,10001.0,0.0,0.0,2.0,809.097,51.0,8.0,CC1C=C(C=C(C=1O)C(C)(C)C)C(C)(CC(=O)OCCOC(=O)CC(C)(C1=CC(=C(O)C=C1)C(C)(C)C)C1=CC(=C(O)C=C1)C(C)(C)C)C1=CC(=C(O)C=C1)C(C)(C)C,4.000043427276863,"2-{[3,3-Bis(3-tert-butyl-4-hydroxyphenyl)butanoyl]oxy}ethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-3-(3-tert-butyl-4-hydroxyphenyl)butanoate"
CC1C=C(C=C(C=1O)C(O)=O)N=NC1C=CC(=CC=1)C1C=CC(=CC=1)N=NC1C(N)=C(C=C(C)C=1N)N=NC1C=CC(=CC=1)S(O)(=O)=O,9960.0,0.0,0.0,4.0,664.7040000000003,33.0,6.0,CC1C=C(C=C(C=1O)C(O)=O)N=NC1C=CC(=CC=1)C1C=CC(=CC=1)N=NC1C(N)=C(C=C(C)C=1N)N=NC1C=CC(=CC=1)S(O)(=O)=O,3.998259338423699,"C.I. Direct Brown 154, disodium salt"
CC1C=C(C=C(C=1O)[N+]([O-])=O)[N+]([O-])=O,9.0,4.0,2.0,0.0,198.134,7.0,5.0,CC1C=C(C=C(C=1O)[N+]([O-])=O)[N+]([O-])=O,0.9542425094393249,"2-Methyl-4,6-dinitrophenol"
CC1C=C(C=CC=1)C(C)C,2970.0,3.0,2.0,0.0,134.222,10.0,0.0,CC1C=C(C=CC=1)C(C)C,3.4727564493172123,m-Cymene
CC1C=C(C=CC=1)C(O)=O,3500.0,1.0,2.0,0.0,136.15,8.0,2.0,CC1C=C(C=CC=1)C(O)=O,3.5440680443502757,3-Methylbenzoic acid
CC1C=C(C=CC=1)N(C)C(=S)OC1=CC2C3CC(CC3)C=2C=C1,1800.0,4.0,2.0,1.0,323.4610000000001,20.0,1.0,CC1C=C(C=CC=1)N(C)C(=S)OC1=CC2C3CC(CC3)C=2C=C1,3.255272505103306,Tolciclate
CC1C=C(C=CC=1)N(CCC#N)CC,3710.0,4.0,2.0,0.0,188.274,12.0,0.0,CC1C=C(C=CC=1)N(CCC#N)CC,3.569373909615046,3-(Ethyl(3-methylphenyl)amino)propanenitrile
CC1C=C(C=CC=1)N(CCO)CC,1370.0,4.0,2.0,0.0,179.26299999999998,11.0,1.0,CC1C=C(C=CC=1)N(CCO)CC,3.1367205671564067,2-(N-Ethyl-m-toluidino)ethanol
CC1C=C(C=CC=1)N(CCO)CCO,3100.0,4.0,1.0,0.0,195.262,11.0,2.0,CC1C=C(C=CC=1)N(CCO)CCO,3.4913616938342726,"Ethanol, 2,2'-[(3-methylphenyl)imino]bis-"
CC1C=C(C=CC=1)N1CCN(CC=CC2C=C3CCC(=O)NC3=CC=2)CC1,500.0,4.0,1.0,0.0,361.4890000000002,23.0,1.0,CC1C=C(C=CC=1)N1CCN(CC=CC2C=C3CCC(=O)NC3=CC=2)CC1,2.6989700043360187,
CC1C=C(C=CC=1)N=NC1C=CC(=CC=1)N(C)C,1500.0,4.0,1.0,0.0,239.32200000000003,15.0,0.0,CC1C=C(C=CC=1)N=NC1C=CC(=CC=1)N(C)C,3.1760912590556813,3'-Methyl-4-dimethylaminoazobenzene
CC1C=C(C=CC=1)NC(=S)N(C)C,2200.0,4.0,2.0,0.0,194.303,10.0,0.0,CC1C=C(C=CC=1)NC(=S)N(C)C,3.342422680822206,Methiuron
CC1C=C(C=CC=1)NC(N)=O,1330.0,3.0,2.0,0.0,150.181,8.0,1.0,CC1C=C(C=CC=1)NC(N)=O,3.123851640967086,"Urea, (3-methylphenyl)-"
CC1C=C(C=CC=1)NC1C=CN=CC=1S(=O)(=O)NC(=O)NC(C)C,7500.0,4.0,2.0,0.0,348.4280000000001,16.0,3.0,CC1C=C(C=CC=1)NC1C=CN=CC=1S(=O)(=O)NC(=O)NC(C)C,3.8750612633917,Torsemide
CC1C=C(C=CC=1)NCC,580.0,3.0,2.0,0.0,135.20999999999998,9.0,0.0,CC1C=C(C=CC=1)NCC,2.7634279935629373,N-Ethyl-3-methylaniline
CC1C=C(C=CC=1)OCC(O)CNCCC1=CC(OC)=C(C=C1)OC,460.0,4.0,2.0,0.0,345.43900000000014,20.0,4.0,CC1C=C(C=CC=1)OCC(O)CNCCC1=CC(OC)=C(C=C1)OC,2.662757831681574,Bevantolol hydrochloride
CC1C=C(C=CC=1/C=C/C1=[N+](C)C2C=CC=CC=2C1(C)C)N(CCC#N)CC,1250.0,4.0,0.0,1.0,372.5360000000002,25.0,0.0,CC1C=C(C=CC=1/C=C/C1=[N+](C)C2C=CC=CC=2C1(C)C)N(CCC#N)CC,3.0969100130080562,"3H-Indolium, 2-[2-[4-[(2-cyanoethyl)ethylamino]-2-methylphenyl]ethenyl]-1,3,3-trimethyl-, phosphate (1:1)"
CC1C=C(C=CC=1C=C(C#N)C#N)N(CCOC1C=CC(=CC=1)C1CCCCC1)CC,6625.0,3.0,0.0,1.0,413.5650000000001,27.0,1.0,CC1C=C(C=CC=1C=C(C#N)C#N)N(CCOC1C=CC(=CC=1)C1CCCCC1)CC,3.8211858826088454,"Propanedinitrile, [[4-[[2-(4-cyclohexylphenoxy)ethyl]ethylamino]-2-methylphenyl]methylene]-"
CC1C=C(C=CC=1N(C)C)OC(=O)NC,40.0,4.0,2.0,0.0,208.26099999999997,11.0,2.0,CC1C=C(C=CC=1N(C)C)OC(=O)NC,1.6020599913279623,Aminocarb
CC1C=C(C=CC=1N)N(CCNS(C)(=O)=O)CC,400.0,4.0,2.0,0.0,271.38599999999997,12.0,2.0,CC1C=C(C=CC=1N)N(CCNS(C)(=O)=O)CC,2.6020599913279625,N-{2-[(4-amino-3-methylphenyl)(ethyl)amino]ethyl}methanesulfonamide
CC1C=C(C=CC=1N=C=O)C1C=C(C)C(=CC=1)N=C=O,2751.0,4.0,2.0,0.0,264.284,16.0,2.0,CC1C=C(C=CC=1N=C=O)C1C=C(C)C(=CC=1)N=C=O,3.4394905903896835,"3,3'-Dimethyl-4,4'-diphenylene diisocyanate"
CC1C=C(C=CC=1N=NC1=C2C=CC=CC2=CC=C1O)S(O)(=O)=O,3892.0,4.0,2.0,0.0,342.3760000000001,17.0,4.0,CC1C=C(C=CC=1N=NC1=C2C=CC=CC2=CC=C1O)S(O)(=O)=O,3.5901728315963144,"C.I. Acid Orange 8, monosodium salt"
CC1C=C(C=CC=1N=NC1C(=CC(=CC=1C#N)[N+]([O-])=O)C#N)N(CC)CC,5500.0,4.0,0.0,0.0,362.3930000000001,19.0,2.0,CC1C=C(C=CC=1N=NC1C(=CC(=CC=1C#N)[N+]([O-])=O)C#N)N(CC)CC,3.7403626894942437,"1,3-Benzenedicarbonitrile, 2-[[4-(diethylamino)-2-methylphenyl]azo]-5-nitro-"
CC1C=C(C=CC=1N=NC1C(=CC2=CC(=CC(N)=C2C=1O)S(O)(=O)=O)S(O)(=O)=O)C1C=C(C)C(=CC=1)N=NC1C(=CC2=CC(=CC(N)=C2C=1O)S(O)(=O)=O)S(O)(=O)=O,6200.0,0.0,0.0,4.0,872.8940000000001,34.0,14.0,CC1C=C(C=CC=1N=NC1C(=CC2=CC(=CC(N)=C2C=1O)S(O)(=O)=O)S(O)(=O)=O)C1C=C(C)C(=CC=1)N=NC1C(=CC2=CC(=CC(N)=C2C=1O)S(O)(=O)=O)S(O)(=O)=O,3.792391689498254,C.I. Direct Blue 14
CC1C=C(C=CC=1N=NC1C(Cl)=CC(=CC=1Cl)[N+]([O-])=O)N(CCCl)CC,5500.0,3.0,0.0,1.0,415.7080000000002,17.0,2.0,CC1C=C(C=CC=1N=NC1C(Cl)=CC(=CC=1Cl)[N+]([O-])=O)N(CCCl)CC,3.7403626894942437,"Benzenamine, N-(2-chloroethyl)-4-[(2,6-dichloro-4-nitrophenyl)azo]-N-ethyl-3-methyl-"
CC1C=C(C=CC=1N=NC1C=C(C(O)=CC=1)C(O)=O)C1=CC(C)=C(C=C1)N=NC1C(N)=C(C=C(C)C=1N)S(O)(=O)=O,6830.0,1.0,0.0,2.0,574.6190000000003,28.0,6.0,CC1C=C(C=CC=1N=NC1C=C(C(O)=CC=1)C(O)=O)C1=CC(C)=C(C=C1)N=NC1C(N)=C(C=C(C)C=1N)S(O)(=O)=O,3.8344207036815328,C.I. Direct Orange 6
CC1C=C(C=CC=1N=O)N(CCO)CC,336.0,4.0,1.0,0.0,208.26099999999997,11.0,2.0,CC1C=C(C=CC=1N=O)N(CCO)CC,2.526339277389844,"Ethanol, 2-[ethyl(3-methyl-4-nitrosophenyl)amino]-"
CC1C=C(C=CC=1NC(=O)CC(C)=O)C1C=C(C)C(=CC=1)NC(=O)CC(C)=O,10001.0,4.0,0.0,0.0,380.4440000000002,22.0,4.0,CC1C=C(C=CC=1NC(=O)CC(C)=O)C1C=C(C)C(=CC=1)NC(=O)CC(C)=O,4.000043427276863,"Butanamide, N,N'-(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[3-oxo-"
CC1C=C(C=CC=1NCC)C(C1C=C(C)C(=CC=1)NCC)=C1C=C(C)C(C=C1)=NCC,1062.0,2.0,0.0,1.0,413.60900000000015,28.0,0.0,CC1C=C(C=CC=1NCC)C(C1C=C(C)C(=CC=1)NCC)=C1C=C(C)C(C=C1)=NCC,3.0261245167454502,"Benzenamine, N-ethyl-4-[[4-(ethylamino)-3-methylphenyl][4-(ethylimino)-3-methyl-2,5-cyclohexadien-1-ylidene]methyl]-2-methyl-, monoacetate"
CC1C=C(C=CC=1O)C(C)(C)C1C=C(C)C(O)=CC=1,3500.0,4.0,1.0,0.0,256.34499999999997,17.0,2.0,CC1C=C(C=CC=1O)C(C)(C)C1C=C(C)C(O)=CC=1,3.5440680443502757,"3,3'-Dimethylbisphenol A"
CC1C=C(C=CC=1O)C1(C(=O)NC2C=CC=CC1=2)C1C=C(C)C(O)=CC=1,520.0,4.0,2.0,0.0,345.3980000000001,22.0,3.0,CC1C=C(C=CC=1O)C1(C(=O)NC2C=CC=CC1=2)C1C=C(C)C(O)=CC=1,2.716003343634799,Isatin bis-cresol
CC1C=C(C=CC=1O)C1(CCCCC1)C1=CC(C)=C(O)C=C1,2751.0,4.0,2.0,0.0,296.40999999999997,20.0,2.0,CC1C=C(C=CC=1O)C1(CCCCC1)C1=CC(C)=C(O)C=C1,3.4394905903896835,"Phenol, 4,4'-cyclohexylidenebis[2-methyl-"
CC1C=C(C=CC=1OC(=O)C1C=CC(=CC=1)OCCCCOC(=O)C=C)OC(=O)C1C=CC(=CC=1)OCCCCOC(=O)C=C,6251.0,0.0,0.0,2.0,616.6630000000004,35.0,10.0,CC1C=C(C=CC=1OC(=O)C1C=CC(=CC=1)OCCCCOC(=O)C=C)OC(=O)C1C=CC(=CC=1)OCCCCOC(=O)C=C,3.7959494989028033,"2-methylbenzene-1,4-diyl bis{4-[4-(acryloyloxy)butoxy]benzoate}"
CC1C=C(C=CC=1OC(=O)C1C=CC(=CC=1)OCCCOC(=O)C=C)OC(=O)C1C=CC(=CC=1)OCCCOC(=O)C=C,2751.0,1.0,0.0,2.0,588.6090000000004,33.0,10.0,CC1C=C(C=CC=1OC(=O)C1C=CC(=CC=1)OCCCOC(=O)C=C)OC(=O)C1C=CC(=CC=1)OCCCOC(=O)C=C,3.4394905903896835,"2-Methyl-1,4-phenylene bis{4-[3-(acryloyloxy)propoxy]benzoate}"
CC1C=C(C=CC=1OP(=S)(OC)OC)C#N,500.0,4.0,3.0,0.0,257.251,10.0,3.0,CC1C=C(C=CC=1OP(=S)(OC)OC)C#N,2.6989700043360187,"Phosphorothioic acid, O,O-dimethyl ester, O-ester with 4,3-cresotonitrile"
CC1C=C(C=CC=1S(C)(=O)=O)OP(=S)(OC)OC,125.0,4.0,2.0,0.0,310.333,10.0,5.0,CC1C=C(C=CC=1S(C)(=O)=O)OP(=S)(OC)OC,2.0969100130080562,Fenthion sulfone
CC1C=C(C=CC=1S(C)=O)OP(=S)(OC)OC,125.0,4.0,2.0,0.0,294.334,10.0,4.0,CC1C=C(C=CC=1S(C)=O)OP(=S)(OC)OC,2.0969100130080562,Mesulfenfos
CC1C=C(C=CC=1SC)OP(=O)(NC)OCC,5.0,4.0,2.0,0.0,275.31,11.0,3.0,CC1C=C(C=CC=1SC)OP(=O)(NC)OCC,0.6989700043360189,Merpofos
CC1C=C(C=CC=1SC)OP(=S)(OC)OC,287.0,4.0,1.0,0.0,278.335,10.0,3.0,CC1C=C(C=CC=1SC)OP(=S)(OC)OC,2.4578818967339924,Fenthion
CC1C=C(C=CC=1SC)OP(=S)(OCC)OCC,14.0,4.0,1.0,0.0,306.38900000000007,12.0,3.0,CC1C=C(C=CC=1SC)OP(=S)(OCC)OCC,1.146128035678238,Fenthion-ethyl
CC1C=C(CC(O)=O)N(C)C=1C(=O)C1C=CC(Cl)=CC=1,27.0,4.0,3.0,0.0,291.73400000000004,15.0,3.0,CC1C=C(CC(O)=O)N(C)C=1C(=O)C1C=CC(Cl)=CC=1,1.4313637641589874,Zomepirac
CC1C=C(CC)C(=C(CC)C=1)C1C(=O)N2CCOCCN2C=1OC(=O)C(C)(C)C,7500.0,4.0,1.0,0.0,400.51900000000023,23.0,4.0,CC1C=C(CC)C(=C(CC)C=1)C1C(=O)N2CCOCCN2C=1OC(=O)C(C)(C)C,3.8750612633917,Pinoxaden
CC1C=C(CC)C(N)=C(CC)C=1,443.0,4.0,2.0,0.0,163.26399999999998,11.0,0.0,CC1C=C(CC)C(N)=C(CC)C=1,2.6464037262230695,"2,6-Diethyl-4-methylaniline"
CC1C=C(CC2=CC(C)=C(N)C=C2)C=CC=1N,1800.0,4.0,2.0,0.0,226.323,15.0,0.0,CC1C=C(CC2=CC(C)=C(N)C=C2)C=CC=1N,3.255272505103306,"4,4'-Methylenebis(2-methylaniline)"
CC1C=C(CC2=CC(C)=C(O)C(C)=C2)C=C(C)C=1O,3501.0,4.0,1.0,0.0,256.34499999999997,17.0,2.0,CC1C=C(CC2=CC(C)=C(O)C(C)=C2)C=C(C)C=1O,3.5441921107650325,"Phenol, 4,4'-methylenebis[2,6-dimethyl-"
CC1C=C(CC2=CC(C)=C(OCC3CO3)C(C)=C2)C=C(C)C=1OCC1CO1,3500.0,4.0,0.0,0.0,368.4730000000002,23.0,4.0,CC1C=C(CC2=CC(C)=C(OCC3CO3)C(C)=C2)C=C(C)C=1OCC1CO1,3.5440680443502757,"Oxirane, 2,2'-[methylenebis[(2,6-dimethyl-4,1-phenylene)oxymethylene]]bis-"
CC1C=C(CC2C=C(C)C=C(C3CCCCC3)C=2O)C(O)=C(C=1)C1CCCCC1,2751.0,3.0,0.0,1.0,392.5830000000002,27.0,2.0,CC1C=C(CC2C=C(C)C=C(C3CCCCC3)C=2O)C(O)=C(C=1)C1CCCCC1,3.4394905903896835,"2,2'-Methanediylbis(6-cyclohexyl-4-methylphenol)"
CC1C=C(CC2C=C(C)C=C(C=2O)C2(C)CCCCC2)C(O)=C(C=1)C1(C)CCCCC1,3500.0,2.0,0.0,1.0,420.6370000000002,29.0,2.0,CC1C=C(CC2C=C(C)C=C(C=2O)C2(C)CCCCC2)C(O)=C(C=1)C1(C)CCCCC1,3.5440680443502757,"2,2'-Methanediylbis[4-methyl-6-(1-methylcyclohexyl)phenol]"
CC1C=C(CCC(=O)OCCOCCOCCOC(=O)CCC2C=C(C)C(O)=C(C=2)C(C)(C)C)C=C(C=1O)C(C)(C)C,7000.0,0.0,0.0,2.0,586.7660000000003,34.0,8.0,CC1C=C(CCC(=O)OCCOCCOCCOC(=O)CCC2C=C(C)C(O)=C(C=2)C(C)(C)C)C=C(C=1O)C(C)(C)C,3.845098040014257,Triethylene glycol bis(3-tert-butyl-4-hydroxy-5-methylphenyl)propionate
CC1C=C(CCCCCCCCC)C(O)=C(CC2C=C(C)C=C(CCCCCCCCC)C=2O)C=1,10001.0,0.0,0.0,1.0,480.7770000000005,33.0,2.0,CC1C=C(CCCCCCCCC)C(O)=C(CC2C=C(C)C=C(CCCCCCCCC)C=2O)C=1,4.000043427276863,"Phenol, 2,2'-methylenebis[4-methyl-6-nonyl-"
CC1C=C(CCCCCCCOC2C=CC(=CC=2)C2=NCCO2)ON=1,8000.0,4.0,1.0,0.0,342.4390000000001,20.0,3.0,CC1C=C(CCCCCCCOC2C=CC(=CC=2)C2=NCCO2)ON=1,3.9030899869919438,Disoxaril
CC1C=C(Cl)C(Cl)=CC=1C1CCN(N=1)C1C=CC(=CC=1)S(=O)(=O)CCS(O)(=O)=O,3500.0,4.0,0.0,0.0,477.3910000000003,18.0,5.0,CC1C=C(Cl)C(Cl)=CC=1C1CCN(N=1)C1C=CC(=CC=1)S(=O)(=O)CCS(O)(=O)=O,3.5440680443502757,"Ethanesulfonic acid, 2-[[4-[3-(4,5-dichloro-2-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]-, sodium salt (1:1)"
CC1C=C(Cl)C(OP(=S)(OC)OC)=C(Cl)C=1,4250.0,4.0,2.0,0.0,301.131,9.0,3.0,CC1C=C(Cl)C(OP(=S)(OC)OC)=C(Cl)C=1,3.6283889300503116,Tolclofos-methyl
CC1C=C(Cl)C=C2SC(C3SC4C=C(Cl)C=C(C)C=4C=3OS(O)(=O)=O)=C(OS(O)(=O)=O)C=12,4360.0,2.0,0.0,2.0,555.4600000000003,18.0,8.0,CC1C=C(Cl)C=C2SC(C3SC4C=C(Cl)C=C(C)C=4C=3OS(O)(=O)=O)=C(OS(O)(=O)=O)C=12,3.639486489268586,"[2,2'-Bibenzo[b]thiophene]-3,3'-diol, 6,6'-dichloro-4,4'-dimethyl-, bis(hydrogen sulfate), disodium salt"
CC1C=C(Cl)C=CC=1N,1058.0,2.0,2.0,0.0,141.60099999999997,7.0,0.0,CC1C=C(Cl)C=CC=1N,3.024485667699167,4-Chloro-2-methylaniline
CC1C=C(Cl)C=CC=1O,2192.0,1.0,2.0,0.0,142.585,7.0,1.0,CC1C=C(Cl)C=CC=1O,3.3408405498123317,4-Chloro-2-methylphenol
CC1C=C(Cl)C=CC=1OC(C)C(=O)OCCCCCCCC,500.0,4.0,1.0,1.0,326.86400000000003,18.0,3.0,CC1C=C(Cl)C=CC=1OC(C)C(=O)OCCCCCCCC,2.6989700043360187,Octyl (R)-2-(4-chloro-2-methylphenoxy)propionate
CC1C=C(Cl)C=CC=1OC(C)C(O)=O,957.5,4.0,2.0,0.0,214.648,10.0,3.0,CC1C=C(Cl)C=CC=1OC(C)C(O)=O,2.9811387826406603,Mecoprop-dimethylammonium
CC1C=C(Cl)C=CC=1OCC(=O)NC1C=CC=CC=1,4500.0,4.0,2.0,0.0,275.735,15.0,2.0,CC1C=C(Cl)C=CC=1OCC(=O)NC1C=CC=CC=1,3.6532125137753435,"Acetamide, 2-(4-chloro-2-methylphenoxy)-N-phenyl-"
CC1C=C(Cl)C=CC=1OCC(=O)OCC(CCCC)CC,1150.0,4.0,1.0,0.0,312.837,17.0,3.0,CC1C=C(Cl)C=CC=1OCC(=O)OCC(CCCC)CC,3.060697840353612,MCPA-2-ethylhexyl
CC1C=C(Cl)C=CC=1OCC(=O)OCCCC,914.0,4.0,2.0,0.0,256.729,13.0,3.0,CC1C=C(Cl)C=CC=1OCC(=O)OCCCC,2.960946195733831,MCPA-butyl
CC1C=C(Cl)C=CC=1OCC(=O)OCCCCCC(C)C,700.0,4.0,1.0,0.0,312.837,17.0,3.0,CC1C=C(Cl)C=CC=1OCC(=O)OCCCCCC(C)C,2.845098040014257,MCPA-isooctyl
CC1C=C(Cl)C=CC=1OCC(=O)SCC,790.0,4.0,2.0,0.0,244.743,11.0,2.0,CC1C=C(Cl)C=CC=1OCC(=O)SCC,2.8976270912904414,MCPA-thioethyl
CC1C=C(Cl)C=CC=1OCC(O)=O,800.0,4.0,2.0,0.0,200.621,9.0,3.0,CC1C=C(Cl)C=CC=1OCC(O)=O,2.9030899869919438,MCPA dimethylamine salt
CC1C=C(Cl)C=CC=1OCCCC(=O)OCC,1420.0,4.0,2.0,0.0,256.729,13.0,3.0,CC1C=C(Cl)C=CC=1OCCCC(=O)OCC,3.1522883443830563,MCPB ethyl
CC1C=C(Cl)C=CC=1OCCCC(O)=O,1348.0,4.0,2.0,0.0,228.67499999999995,11.0,3.0,CC1C=C(Cl)C=CC=1OCCCC(O)=O,3.129689892199301,MCPB
CC1C=C(N)C(=CC=1)OC,1450.0,3.0,2.0,0.0,137.18199999999996,8.0,1.0,CC1C=C(N)C(=CC=1)OC,3.161368002234975,2-Methoxy-5-methylaniline
CC1C=C(N)C(=CC=1S(=O)(=O)NC)OC,150.0,4.0,2.0,0.0,230.28899999999996,9.0,3.0,CC1C=C(N)C(=CC=1S(=O)(=O)NC)OC,2.1760912590556813,"Benzenesulfonamide, 4-amino-5-methoxy-N,2-dimethyl-"
CC1C=C(N)C2=CC=CC=C2N=1,275.0,3.0,2.0,0.0,158.204,10.0,0.0,CC1C=C(N)C2=CC=CC=C2N=1,2.439332693830263,4-Amino-2-methylquinoline
CC1C=C(N)C=CC=1N,100.0,2.0,2.0,0.0,122.171,7.0,0.0,CC1C=C(N)C=CC=1N,2.0,"2-Methyl-1,4-benzenediamine"
CC1C=C(N)N(N=1)C1C=CC=CC=1,2500.0,4.0,2.0,0.0,173.21900000000002,10.0,0.0,CC1C=C(N)N(N=1)C1C=CC=CC=1,3.3979400086720375,3-Methyl-1-phenyl-1H-pyrazol-5-amine
CC1C=C(N)N=CC=1,200.0,1.0,2.0,0.0,108.144,6.0,0.0,CC1C=C(N)N=CC=1,2.3010299956639813,4-Methylpyridin-2-amine
CC1C=C(N2N=CN=C2N=1)N(CC)CC,235.0,4.0,2.0,0.0,205.265,10.0,0.0,CC1C=C(N2N=CN=C2N=1)N(CC)CC,2.3710678622717363,Trapidil
CC1C=C(N=C(Cl)N=1)N(C)C,1.25,4.0,2.0,0.0,171.63100000000003,7.0,0.0,CC1C=C(N=C(Cl)N=1)N(C)C,0.09691001300805642,Crimidine
CC1C=C(N=C(N=1)N(CC)CC)OP(=S)(OC)OC,1423.0,4.0,2.0,0.0,305.34000000000003,11.0,3.0,CC1C=C(N=C(N=1)N(CC)CC)OP(=S)(OC)OC,3.153204900084284,Pirimiphos-methyl
CC1C=C(N=C(N=1)N(CC)CC)OP(=S)(OCC)OCC,166.0,4.0,2.0,0.0,333.3940000000001,13.0,3.0,CC1C=C(N=C(N=1)N(CC)CC)OP(=S)(OCC)OCC,2.220108088040055,Pirimiphos-ethyl
CC1C=C(N=C(NC2C=CC=CC=2)N=1)C1CC1,3500.0,4.0,2.0,0.0,225.29500000000004,14.0,0.0,CC1C=C(N=C(NC2C=CC=CC=2)N=1)C1CC1,3.5440680443502757,Cyprodinil
CC1C=C(N=NC2C(=CC3=CC(=CC=C3C=2O)NC2=CC=CC=C2)S(O)(=O)=O)C(=CC=1N=NC1C=C2C(=CC=CC2=C(C=1)S(O)(=O)=O)S(O)(=O)=O)OC,1150.0,0.0,0.0,4.0,777.8150000000003,34.0,11.0,CC1C=C(N=NC2C(=CC3=CC(=CC=C3C=2O)NC2=CC=CC=C2)S(O)(=O)=O)C(=CC=1N=NC1C=C2C(=CC=CC2=C(C=1)S(O)(=O)=O)S(O)(=O)=O)OC,3.060697840353612,C.I. Direct Violet 35
CC1C=C(N=NC2C3=CC=C(C=C3C=CC=2O)S(O)(=O)=O)C(=CC=1S(O)(=O)=O)OC,10000.0,4.0,0.0,0.0,452.4660000000001,18.0,8.0,CC1C=C(N=NC2C3=CC=C(C=C3C=CC=2O)S(O)(=O)=O)C(=CC=1S(O)(=O)=O)OC,4.0,Allura Red C.I.16035
CC1C=C(NC(=O)C(N=NC2C=C(C=CC=2Cl)C(=O)NC2=CC(Cl)=CC=C2C)C(C)=O)C(C)=CC=1NC(=O)C(N=NC1C=C(C=CC=1Cl)C(=O)NC1=CC(Cl)=CC=C1C)C(C)=O,7500.0,0.0,0.0,2.0,916.6499999999996,44.0,6.0,CC1C=C(NC(=O)C(N=NC2C=C(C=CC=2Cl)C(=O)NC2=CC(Cl)=CC=C2C)C(C)=O)C(C)=CC=1NC(=O)C(N=NC1C=C(C=CC=1Cl)C(=O)NC1=CC(Cl)=CC=C1C)C(C)=O,3.8750612633917,C.I. Pigment Yellow 95
CC1C=C(NC(=O)C2=CC3C=CC=CC=3C(N=NC3=CC(Cl)=CC=C3C)=C2O)C(C)=CC=1NC(=O)C1=CC2C=CC=CC=2C(N=NC2=CC(Cl)=CC=C2C)=C1O,6251.0,0.0,0.0,2.0,781.7000000000002,44.0,4.0,CC1C=C(NC(=O)C2=CC3C=CC=CC=3C(N=NC3=CC(Cl)=CC=C3C)=C2O)C(C)=CC=1NC(=O)C1=CC2C=CC=CC=2C(N=NC2=CC(Cl)=CC=C2C)=C1O,3.7959494989028033,"2-Naphthalenecarboxamide, N,N'-(2,5-dimethyl-1,4-phenylene)bis[4-[2-(5-chloro-2-methylphenyl)diazenyl]-3-hydroxy-"
CC1C=C(NC(=O)NC2=CC(C)=C(C=C2OC)N=NC2=CC(=C3C=CC=C(C3=C2)S(O)(=O)=O)S(O)(=O)=O)C(=CC=1N=NC1=CC(=C2C=CC=C(C2=C1)S(O)(=O)=O)S(O)(=O)=O)OC,7500.0,0.0,0.0,4.0,928.958,37.0,15.0,CC1C=C(NC(=O)NC2=CC(C)=C(C=C2OC)N=NC2=CC(=C3C=CC=C(C3=C2)S(O)(=O)=O)S(O)(=O)=O)C(=CC=1N=NC1=CC(=C2C=CC=C(C2=C1)S(O)(=O)=O)S(O)(=O)=O)OC,3.8750612633917,C.I. Direct Yellow 34
CC1C=C(NC(C)=O)C(=CC=1)OC,2677.0,4.0,2.0,0.0,179.21899999999997,10.0,2.0,CC1C=C(NC(C)=O)C(=CC=1)OC,3.4276483711869328,"Acetamide, N-(2-methoxy-5-methylphenyl)-"
CC1C=C(O)C(=CC=1)C(C)C,980.0,3.0,2.0,0.0,150.221,10.0,1.0,CC1C=C(O)C(=CC=1)C(C)C,2.9912260756924947,Thymol
CC1C=C(O)C(=CC=1SC1=CC(=C(O)C=C1C)C(C)(C)C)C(C)(C)C,2345.0,3.0,1.0,1.0,358.54700000000014,22.0,2.0,CC1C=C(O)C(=CC=1SC1=CC(=C(O)C=C1C)C(C)(C)C)C(C)(C)C,3.370142847051102,"4,4'-Thiobis(6-tert-butyl-m-cresol)"
CC1C=C(O)C(CCCCC)=CC=1,1500.0,4.0,2.0,0.0,178.27499999999998,12.0,1.0,CC1C=C(O)C(CCCCC)=CC=1,3.1760912590556813,Amylmetacresol
CC1C=C(O)C=C(C)C=1Cl,3830.0,2.0,2.0,0.0,156.61199999999997,8.0,1.0,CC1C=C(O)C=C(C)C=1Cl,3.583198773968623,"Phenol, 4-chloro-3,5-dimethyl-, sodium salt"
CC1C=C(O)C=C(C)C=1S(C)(=O)=O,1000.0,4.0,2.0,0.0,200.25899999999996,9.0,3.0,CC1C=C(O)C=C(C)C=1S(C)(=O)=O,3.0,"4-(Methylsulfonyl)-3,5-xylenol"
CC1C=C(O)C=C(C)C=1SC,2751.0,4.0,2.0,0.0,168.26099999999997,9.0,1.0,CC1C=C(O)C=C(C)C=1SC,3.4394905903896835,"4-(Methylthio)-3,5-xylenol"
CC1C=C(O)C=C(O)C=1,844.0,1.0,2.0,0.0,124.13899999999995,7.0,2.0,CC1C=C(O)C=C(O)C=1,2.926342446625655,"1,3-Benzenediol, 5-methyl-"
CC1C=C(O)C=CC=1C,727.0,1.0,2.0,0.0,122.167,8.0,1.0,CC1C=C(O)C=CC=1C,2.8615344108590377,"3,4-Dimethylphenol"
CC1C=C(O)C=CC=1Cl,2480.0,1.0,2.0,0.0,142.58499999999998,7.0,1.0,CC1C=C(O)C=CC=1Cl,3.3944516808262164,Potassium p-chloro-m-cresolate
CC1C=C(O)C=CC=1N=NC1C=CC(=CC=1)NC1C=CC(=CC=1[N+]([O-])=O)S(O)(=O)=O,7500.0,4.0,0.0,1.0,428.42600000000016,19.0,6.0,CC1C=C(O)C=CC=1N=NC1C=CC(=CC=1)NC1C=CC(=CC=1[N+]([O-])=O)S(O)(=O)=O,3.8750612633917,"Benzenesulfonic acid, 4-[[4-[2-(4-hydroxy-2-methylphenyl)diazenyl]phenyl]amino]-3-nitro-, sodium salt (1:1)"
CC1C=C(O)C=CC=1S(C)(=O)=O,7000.0,4.0,2.0,0.0,186.23199999999997,8.0,3.0,CC1C=C(O)C=CC=1S(C)(=O)=O,3.845098040014257,"Phenol, 3-methyl-4-(methylsulfonyl)-"
CC1C=C(O)C=CC=1SC,2971.0,3.0,2.0,0.0,154.23399999999995,8.0,1.0,CC1C=C(O)C=CC=1SC,3.472902651803664,3-Methyl-4-(methylthio)phenol
CC1C=C(O)C=CC=1[N+]([O-])=O,1200.0,1.0,2.0,0.0,153.13699999999997,7.0,3.0,CC1C=C(O)C=CC=1[N+]([O-])=O,3.0791812460476247,4-Nitro-m-cresol
CC1C=C(O)N2N=CN=C2N=1,4500.0,1.0,2.0,0.0,150.14100000000002,6.0,1.0,CC1C=C(O)N2N=CN=C2N=1,3.6532125137753435,"5-Methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol"
CC1C=C(O)N=C([O-])C=1[N+]1C=CC=CC=1,3500.0,4.0,2.0,0.0,202.213,11.0,2.0,CC1C=C(O)N=C([O-])C=1[N+]1C=CC=CC=1,3.5440680443502757,"1,3'-Bipyridinium, 1',2'-dihydro-6'-hydroxy-4'-methyl-2'-oxo-, inner salt"
CC1C=C(OC)C(=CC=1)OC(=O)OC,3500.0,4.0,2.0,0.0,196.20199999999997,10.0,4.0,CC1C=C(OC)C(=CC=1)OC(=O)OC,3.5440680443502757,"Carbonic acid, 2-methoxy-4-methylphenyl methyl ester"
CC1C=C(OC)C(O)=CC=1,740.0,2.0,2.0,0.0,138.166,8.0,2.0,CC1C=C(OC)C(O)=CC=1,2.8692317197309762,2-Methoxy-4-methylphenol
CC1C=C2C(=CC=1)C(=NC(=O)N2C(C)C)C1C=CC=CC=1,759.0,4.0,2.0,0.0,278.355,18.0,1.0,CC1C=C2C(=CC=1)C(=NC(=O)N2C(C)C)C1C=CC=CC=1,2.88024177589548,Proquazone
CC1C=C2C(C(C=O)=C(O)C(O)=C2C(C)C)=C(O)C=1C1=C(O)C2=C(C=O)C(O)=C(O)C(C(C)C)=C2C=C1C,2315.0,1.0,0.0,2.0,518.5620000000004,30.0,8.0,CC1C=C2C(C(C=O)=C(O)C(O)=C2C(C)C)=C(O)C=1C1=C(O)C2=C(C=O)C(O)=C(O)C(C(C)C)=C2C=C1C,3.364550995353972,Gossypol
CC1C=C2C=CC(=O)OC2=CC=1,1680.0,4.0,2.0,0.0,160.172,10.0,2.0,CC1C=C2C=CC(=O)OC2=CC=1,3.225309281725863,6-Methyl coumarin
CC1C=C2N=C(C)SC2=CC=1,957.0,4.0,2.0,0.0,163.245,9.0,0.0,CC1C=C2N=C(C)SC2=CC=1,2.9809119377768436,"Benzothiazole, 2,5-dimethyl-"
CC1C=C2N=C(C=CC3=NC4C=C(C)C=CC=4O3)OC2=CC=1,10000.0,4.0,2.0,0.0,290.322,18.0,2.0,CC1C=C2N=C(C=CC3=NC4C=C(C)C=CC=4O3)OC2=CC=1,4.0,
CC1C=C2N=C(OC2=CC=1)C1C=CC(C=CC2C=CC(=CC=2)C(O)=O)=CC=1,3500.0,3.0,1.0,1.0,355.39300000000003,23.0,3.0,CC1C=C2N=C(OC2=CC=1)C1C=CC(C=CC2C=CC(=CC=2)C(O)=O)=CC=1,3.5440680443502757,"Benzoic acid, 4-[2-[4-(5-methyl-2-benzoxazolyl)phenyl]ethenyl]-"
CC1C=C2N=C(OC2=CC=1)C1C=CC(C=CC2C=CC(=CC=2)C2=NC3=CC(C)=CC=C3O2)=CC=1,3500.0,2.0,1.0,1.0,442.5180000000002,30.0,2.0,CC1C=C2N=C(OC2=CC=1)C1C=CC(C=CC2C=CC(=CC=2)C2=NC3=CC(C)=CC=C3O2)=CC=1,3.5440680443502757,"Benzoxazole, 2,2'-(1,2-ethenediyldi-4,1-phenylene)bis[5-methyl-"
CC1C=C2NC(=O)NC2=CC=1N=NC1C(=O)NC(=O)NC1=O,6000.0,4.0,3.0,0.0,302.25000000000006,12.0,4.0,CC1C=C2NC(=O)NC2=CC=1N=NC1C(=O)NC(=O)NC1=O,3.7781512503836434,"2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[(2,3-dihydro-6-methyl-2-oxo-1H-benzimidazol-5-yl)azo]-"
CC1C=C2NC(=S)NC2=CC=1,335.0,3.0,2.0,0.0,164.23300000000003,8.0,0.0,CC1C=C2NC(=S)NC2=CC=1,2.525044807036845,"1,3-Dihydro-4(or 5)-methyl-2H-benzimidazole-2-thione"
CC1C=C2OC(=O)C=CC2=CC=1,3800.0,4.0,2.0,0.0,160.172,10.0,2.0,CC1C=C2OC(=O)C=CC2=CC=1,3.57978359661681,"2H-1-Benzopyran-2-one, 7-methyl-"
CC1C=C2OCC(=O)COC2=CC=1,3500.0,4.0,2.0,0.0,178.18699999999998,10.0,3.0,CC1C=C2OCC(=O)COC2=CC=1,3.5440680443502757,"7-Methyl-2H-1,5-benzodioxepin-3(4H)-one"
CC1C=C2SC(=NC2=CC=1)C1C=CC(N)=CC=1,6316.0,4.0,1.0,0.0,240.331,14.0,0.0,CC1C=C2SC(=NC2=CC=1)C1C=CC(N)=CC=1,3.8004421213362565,Dehydrothio-4-toluidine
CC1C=CC(=C(C=1)OP(=S)(NC(C)CC)OCC)[N+]([O-])=O,630.0,4.0,1.0,0.0,332.3620000000001,13.0,4.0,CC1C=CC(=C(C=1)OP(=S)(NC(C)CC)OCC)[N+]([O-])=O,2.7993405494535817,Butamiphos
CC1C=CC(=C(N)C=1)S(O)(=O)=O,8480.0,4.0,2.0,0.0,187.22,7.0,3.0,CC1C=CC(=C(N)C=1)S(O)(=O)=O,3.9283958522567137,"Benzenesulfonic acid, 2-amino-4-methyl-"
CC1C=CC(=C(O)C=1)C(C)(C)C,356.0,4.0,2.0,0.0,164.24800000000002,11.0,1.0,CC1C=CC(=C(O)C=1)C(C)(C)C,2.5514499979728753,2-tert-Butyl-5-methylphenol
CC1C=CC(=C(OC2=CC=CC=C2CC(O)=O)C=1C)C(O)=O,2751.0,4.0,3.0,0.0,300.31000000000006,17.0,5.0,CC1C=CC(=C(OC2=CC=CC=C2CC(O)=O)C=1C)C(O)=O,3.4394905903896835,"2-[2-(Carboxymethyl)phenoxy]-3,4-dimethylbenzoic acid"
CC1C=CC(=CC=1)C(=O)C(C)CN1CCCCC1,1450.0,4.0,2.0,0.0,245.36599999999993,16.0,1.0,CC1C=CC(=CC=1)C(=O)C(C)CN1CCCCC1,3.161368002234975,Tolperisone hydrochloride
CC1C=CC(=CC=1)C(=O)C1=CC=C(CC(=O)N2CCN(C)CC2)N1C,1000.0,4.0,3.0,0.0,339.4390000000001,20.0,2.0,CC1C=CC(=CC=1)C(=O)C1=CC=C(CC(=O)N2CCN(C)CC2)N1C,3.0,"Piperazine, 1-methyl-4-((1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl)acetyl)-"
CC1C=CC(=CC=1)C(=O)C1=CC=C(CC(=O)NCC(=O)NC2C=C(C=CC=2OC)OC)N1C,1470.0,4.0,1.0,0.0,449.5070000000002,25.0,5.0,CC1C=CC(=CC=1)C(=O)C1=CC=C(CC(=O)NCC(=O)NC2C=C(C=CC=2OC)OC)N1C,3.167317334748176,"1H-Pyrrole-2-acetamide, N-(2-((2,5-dimethoxyphenyl)amino)-2-oxoethyl)-1-methyl-5-(4-methylbenzoyl)-"
CC1C=CC(=CC=1)C(=O)C1=CC=C(CC(O)=O)N1C,603.5,4.0,3.0,0.0,257.289,15.0,3.0,CC1C=CC(=CC=1)C(=O)C1=CC=C(CC(O)=O)N1C,2.780677274433368,Tolmetin sodium dihydrate
CC1C=CC(=CC=1)C(=O)C1C=CC=CC=1,10000.0,4.0,2.0,0.0,196.249,14.0,1.0,CC1C=CC(=CC=1)C(=O)C1C=CC=CC=1,4.0,4-Methylbenzophenone
CC1C=CC(=CC=1)C(=O)CC,1150.0,3.0,2.0,0.0,148.20499999999998,10.0,1.0,CC1C=CC(=CC=1)C(=O)CC,3.060697840353612,p-Methylpropiophenone
CC1C=CC(=CC=1)C(=O)COC1=C(C(=O)C2C=CC(Cl)=C(C)C=2Cl)C(C)=NN1C,10001.0,4.0,0.0,1.0,431.3190000000002,22.0,3.0,CC1C=CC(=CC=1)C(=O)COC1=C(C(=O)C2C=CC(Cl)=C(C)C=2Cl)C(C)=NN1C,4.000043427276863,Benzofenap
CC1C=CC(=CC=1)C(=O)OC,2987.0,3.0,2.0,0.0,150.177,9.0,2.0,CC1C=CC(=CC=1)C(=O)OC,3.475235222604128,Methyl 4-methylbenzoate
CC1C=CC(=CC=1)C(=O)OOC(=O)C1C=CC(C)=CC=1,3500.0,4.0,3.0,0.0,270.284,16.0,4.0,CC1C=CC(=CC=1)C(=O)OOC(=O)C1C=CC(C)=CC=1,3.5440680443502757,"Peroxide, bis(4-methylbenzoyl)"
CC1C=CC(=CC=1)C(C)(C)C,1552.0,3.0,2.0,0.0,148.24900000000002,11.0,0.0,CC1C=CC(=CC=1)C(C)(C)C,3.1908917169221698,4-tert-Butyltoluene
CC1C=CC(=CC=1)C(C)=O,1400.0,3.0,2.0,0.0,134.17799999999997,9.0,1.0,CC1C=CC(=CC=1)C(C)=O,3.146128035678238,p-Methylacetophenone
CC1C=CC(=CC=1)C(C)C,4750.0,3.0,2.0,0.0,134.222,10.0,0.0,CC1C=CC(=CC=1)C(C)C,3.6766936096248664,p-Cymene
CC1C=CC(=CC=1)C(C)C=O,3500.0,3.0,2.0,0.0,148.205,10.0,1.0,CC1C=CC(=CC=1)C(C)C=O,3.5440680443502757,2-(4-Methylphenyl)propanal
CC1C=CC(=CC=1)C(O)(CC1C=CC(Cl)=CC=1)C1C=CC(=CC=1)OCCN(CC)CC,3500.0,3.0,0.0,1.0,438.01100000000014,27.0,2.0,CC1C=CC(=CC=1)C(O)(CC1C=CC(Cl)=CC=1)C1C=CC(=CC=1)OCCN(CC)CC,3.5440680443502757,Triparanol
CC1C=CC(=CC=1)C1(O)CCN(CCCC(=O)C2C=CC(F)=CC=2)CC1,152.0,4.0,0.0,0.0,355.4530000000001,22.0,2.0,CC1C=CC(=CC=1)C1(O)CCN(CCCC(=O)C2C=CC(F)=CC=2)CC1,2.1818435879447726,Moperone
CC1C=CC(=CC=1)C1=CC=CC=C1C#N,1250.0,4.0,1.0,0.0,193.249,14.0,0.0,CC1C=CC(=CC=1)C1=CC=CC=C1C#N,3.0969100130080562,4'-Methylbiphenyl-2-carbonitrile
CC1C=CC(=CC=1)C1C=CC=CC=1,2570.0,4.0,1.0,0.0,168.239,13.0,0.0,CC1C=CC(=CC=1)C1C=CC=CC=1,3.4099331233312946,4-Phenyltoluene
CC1C=CC(=CC=1)C=C1C2CCC(C1=O)C2(C)C,3500.0,4.0,1.0,0.0,240.346,17.0,1.0,CC1C=CC(=CC=1)C=C1C2CCC(C1=O)C2(C)C,3.5440680443502757,Enzacamene
CC1C=CC(=CC=1)N(C)/N=C/C1=[N+](C)C2C=CC=CC=2C1(C)C,553.5,4.0,1.0,0.0,306.43300000000005,20.0,0.0,CC1C=CC(=CC=1)N(C)/N=C/C1=[N+](C)C2C=CC=CC=2C1(C)C,2.7431176252147416,"3H-Indolium, 1,3,3-trimethyl-2-[[2-methyl-2-(4-methylphenyl)hydrazinylidene]methyl]-, formate (1:1)"
CC1C=CC(=CC=1)N(C)C,1293.0,3.0,2.0,0.0,135.21,9.0,0.0,CC1C=CC(=CC=1)N(C)C,3.111598524880394,"N,N,4-Trimethylaniline"
CC1C=CC(=CC=1)N(CC(C)O)CC(C)O,128.0,4.0,1.0,0.0,223.31600000000003,13.0,2.0,CC1C=CC(=CC=1)N(CC(C)O)CC(C)O,2.1072099696478683,CERAPP_39934
CC1C=CC(=CC=1)N(CC1NCCN=1)C1=CC(O)=CC=C1,1250.0,4.0,3.0,0.0,281.35900000000004,17.0,1.0,CC1C=CC(=CC=1)N(CC1NCCN=1)C1=CC(O)=CC=C1,3.0969100130080562,Phentolamine
CC1C=CC(=CC=1)N/N=N/C,380.9,3.0,2.0,0.0,149.197,8.0,0.0,CC1C=CC(=CC=1)N/N=N/C,2.580810972660946,"1-Triazene, 1-methyl-3-(4-methylphenyl)-"
CC1C=CC(=CC=1)NC1=CC(=C(C=C1C(O)=O)NC1C=CC(C)=CC=1)C(O)=O,6251.0,4.0,0.0,1.0,376.4120000000001,22.0,4.0,CC1C=CC(=CC=1)NC1=CC(=C(C=C1C(O)=O)NC1C=CC(C)=CC=1)C(O)=O,3.7959494989028033,"2,5-Di-p-toluidinoterephthalic acid"
CC1C=CC(=CC=1)NC1=CC=C(NC2C=CC(C)=CC=2)C2=C1C(=O)C1C=CC=CC=1C2=O,5873.0,3.0,1.0,1.0,418.4960000000002,28.0,2.0,CC1C=CC(=CC=1)NC1=CC=C(NC2C=CC(C)=CC=2)C2=C1C(=O)C1C=CC=CC=1C2=O,3.768860000842957,D & C Green No. 6
CC1C=CC(=CC=1)NC1=CC=C2C3=C1C(=O)C1C=CC=CC=1C3=CC(=O)N2C,5000.0,4.0,1.0,0.0,366.4200000000001,24.0,2.0,CC1C=CC(=CC=1)NC1=CC=C2C3=C1C(=O)C1C=CC=CC=1C3=CC(=O)N2C,3.6989700043360187,"3H-Dibenz[f,ij]isoquinoline-2,7-dione, 3-methyl-6-[(4-methylphenyl)amino]-"
CC1C=CC(=CC=1)NC1=CC=CC2=C1C(=O)C1C(=CC=CC=1NC1C=CC(C)=CC=1)C2=O,10001.0,3.0,1.0,1.0,418.49600000000015,28.0,2.0,CC1C=CC(=CC=1)NC1=CC=CC2=C1C(=O)C1C(=CC=CC=1NC1C=CC(C)=CC=1)C2=O,4.000043427276863,"9,10-Anthracenedione, 1,8-bis[(4-methylphenyl)amino]-"
CC1C=CC(=CC=1)NC1=NC(NC2C=CC(C)=CC=2)=C(C#N)C(C)=C1N=NC1=CC=CC=C1C(F)(F)F,3500.0,1.0,0.0,2.0,500.5280000000002,28.0,0.0,CC1C=CC(=CC=1)NC1=NC(NC2C=CC(C)=CC=2)=C(C#N)C(C)=C1N=NC1=CC=CC=C1C(F)(F)F,3.5440680443502757,"3-Pyridinecarbonitrile, 4-methyl-2,6-bis[(4-methylphenyl)amino]-5-[2-[2-(trifluoromethyl)phenyl]diazenyl]-"
CC1C=CC(=CC=1)NC1C=CC(O)=C2C=1C(=O)C1C=CC=CC=1C2=O,5000.0,4.0,2.0,0.0,329.3550000000001,21.0,3.0,CC1C=CC(=CC=1)NC1C=CC(O)=C2C=1C(=O)C1C=CC=CC=1C2=O,3.6989700043360187,D&C Violet 2
CC1C=CC(=CC=1)OC,1920.0,1.0,2.0,0.0,122.16699999999996,8.0,1.0,CC1C=CC(=CC=1)OC,3.2833012287035497,1-Methoxy-4-methylbenzene
CC1C=CC(=CC=1)OC(=O)C1C=CC=CC=1,2644.0,4.0,2.0,0.0,212.24800000000005,14.0,2.0,CC1C=CC(=CC=1)OC(=O)C1C=CC=CC=1,3.4222614508136027,p-Tolyl benzoate
CC1C=CC(=CC=1)OC(=O)C1C=CC=CC=1O,1300.0,4.0,2.0,0.0,228.24700000000004,14.0,3.0,CC1C=CC(=CC=1)OC(=O)C1C=CC=CC=1O,3.113943352306837,Salicylic acid p-tolyl ester
CC1C=CC(=CC=1)OC(=O)CCCCCCC,1600.0,4.0,0.0,0.0,234.339,15.0,2.0,CC1C=CC(=CC=1)OC(=O)CCCCCCC,3.2041199826559246,4-Methylphenyl octanoate
CC1C=CC(=CC=1)OC(C)=O,1840.0,3.0,2.0,0.0,150.177,9.0,2.0,CC1C=CC(=CC=1)OC(C)=O,3.2648178230095364,4-Tolyl acetate
CC1C=CC(=CC=1)OP(=O)(OC1C=CC(C)=CC=1)OC1C=CC(C)=CC=1,10001.0,3.0,0.0,1.0,368.3690000000001,21.0,4.0,CC1C=CC(=CC=1)OP(=O)(OC1C=CC(C)=CC=1)OC1C=CC(C)=CC=1,4.000043427276863,Tris(4-methylphenyl) phosphate
CC1C=CC(=CC=1)S(=O)(=O)N(C)CC1C=CC(=CC=1)NC1C=C(C(N)=C2C=1C(=O)C1=CC=CC=C1C2=O)S(O)(=O)=O,3500.0,2.0,0.0,1.0,591.6670000000004,29.0,7.0,CC1C=CC(=CC=1)S(=O)(=O)N(C)CC1C=CC(=CC=1)NC1C=C(C(N)=C2C=1C(=O)C1=CC=CC=C1C2=O)S(O)(=O)=O,3.5440680443502757,"2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-[[4-[[methyl[(4-methylphenyl)sulfonyl]amino]methyl]phenyl]amino]-9,10-dioxo-, sodium salt (1:1)"
CC1C=CC(=CC=1)S(=O)(=O)N(C)N=O,2700.0,4.0,2.0,0.0,214.246,8.0,3.0,CC1C=CC(=CC=1)S(=O)(=O)N(C)N=O,3.4313637641589874,"Benzenesulfonamide, N,4-dimethyl-N-nitroso-"
CC1C=CC(=CC=1)S(=O)(=O)NC(=O)NC1C=C(C=CC=1)OS(=O)(=O)C1C=CC(C)=CC=1,2751.0,4.0,0.0,0.0,460.5330000000002,21.0,6.0,CC1C=CC(=CC=1)S(=O)(=O)NC(=O)NC1C=C(C=CC=1)OS(=O)(=O)C1C=CC(C)=CC=1,3.4394905903896835,Pergafast 201
CC1C=CC(=CC=1)S(=O)(=O)NC(=O)NCCCC,2490.0,4.0,3.0,0.0,270.354,12.0,3.0,CC1C=CC(=CC=1)S(=O)(=O)NC(=O)NCCCC,3.3961993470957363,Tolbutamide
CC1C=CC(=CC=1)S(=O)(=O)NC(=O)NN1CC2CCCC2C1,3000.0,4.0,3.0,0.0,323.4180000000001,15.0,3.0,CC1C=CC(=CC=1)S(=O)(=O)NC(=O)NN1CC2CCCC2C1,3.4771212547196626,Gliclazide
CC1C=CC(=CC=1)S(=O)(=O)NC(=O)NN1CCCCCC1,7500.0,4.0,3.0,0.0,311.4070000000001,14.0,3.0,CC1C=CC(=CC=1)S(=O)(=O)NC(=O)NN1CCCCCC1,3.8750612633917,Tolazamide
CC1C=CC(=CC=1)S(=O)(=O)NC1=CC(=CC2C=C(C(N=NC3C=C(Cl)C=CC=3OC3C=CC=CC=3)=C(O)C=21)S(O)(=O)=O)S(O)(=O)=O,7500.0,1.0,0.0,2.0,704.1600000000002,29.0,10.0,CC1C=CC(=CC=1)S(=O)(=O)NC1=CC(=CC2C=C(C(N=NC3C=C(Cl)C=CC=3OC3C=CC=CC=3)=C(O)C=21)S(O)(=O)=O)S(O)(=O)=O,3.8750612633917,"2,7-Naphthalenedisulfonic acid, 3-[2-(5-chloro-2-phenoxyphenyl)diazenyl]-4-hydroxy-5-[[(4-methylphenyl)sulfonyl]amino]-, sodium salt (1:2)"
CC1C=CC(=CC=1)S(=O)(=O)NC1=CC(OC)=C(N)C2C(=O)C3C=CC=CC=3C(=O)C1=2,3500.0,4.0,2.0,0.0,422.4620000000002,22.0,5.0,CC1C=CC(=CC=1)S(=O)(=O)NC1=CC(OC)=C(N)C2C(=O)C3C=CC=CC=3C(=O)C1=2,3.5440680443502757,C.I. Disperse Red 86
CC1C=CC(=CC=1)S(=O)(=O)NC1C=C(NC2C=C(C(N)=C3C=2C(=O)C2=CC=CC=C2C3=O)S(O)(=O)=O)C(C)=CC=1,7500.0,2.0,0.0,1.0,577.6400000000003,28.0,7.0,CC1C=CC(=CC=1)S(=O)(=O)NC1C=C(NC2C=C(C(N)=C3C=2C(=O)C2=CC=CC=C2C3=O)S(O)(=O)=O)C(C)=CC=1,3.8750612633917,"2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-4-((2-methyl-5-(((4-methylphenyl)sulfonyl)amino)phenyl)amino)-9,10-dioxo-, monosodium salt"
CC1C=CC(=CC=1)S(=O)(=O)OC,341.0,4.0,2.0,0.0,186.232,8.0,3.0,CC1C=CC(=CC=1)S(=O)(=O)OC,2.5327543789924976,Methyl toluene-4-sulfonate
CC1C=CC(=CC=1)S(=O)(=O)OC1=C(C(=O)C2C=CC(Cl)=CC=2Cl)C(C)=NN1C,9550.0,4.0,0.0,0.0,439.3200000000001,19.0,4.0,CC1C=CC(=CC=1)S(=O)(=O)OC1=C(C(=O)C2C=CC(Cl)=CC=2Cl)C(C)=NN1C,3.9800033715837464,Pyrazolynate
CC1C=CC(=CC=1)S(=O)(=O)OC1C=C(C)C(=CC=1)N=NC1=CC(=CC=C1)NC1=CC=C(C=C1[N+]([O-])=O)S(O)(=O)=O,7500.0,1.0,0.0,2.0,582.6160000000002,26.0,8.0,CC1C=CC(=CC=1)S(=O)(=O)OC1C=C(C)C(=CC=1)N=NC1=CC(=CC=C1)NC1=CC=C(C=C1[N+]([O-])=O)S(O)(=O)=O,3.8750612633917,C.I. Acid Orange 67
CC1C=CC(=CC=1)S(=O)(=O)OC1C=CC(=CC=1)NC1C=C(C(N)=C2C=1C(=O)C1=CC=CC=C1C2=O)S(O)(=O)=O,3500.0,2.0,0.0,1.0,564.5970000000003,27.0,8.0,CC1C=CC(=CC=1)S(=O)(=O)OC1C=CC(=CC=1)NC1C=C(C(N)=C2C=1C(=O)C1=CC=CC=C1C2=O)S(O)(=O)=O,3.5440680443502757,"2-Anthracenesulfonic acid, 1-amino-4-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]amino]-9,10-dihydro-9,10-dioxo-, monosodium salt"
CC1C=CC(=CC=1)S(=O)(=O)OCCC1=CC=CS1,3500.0,4.0,3.0,0.0,282.38599999999997,13.0,3.0,CC1C=CC(=CC=1)S(=O)(=O)OCCC1=CC=CS1,3.5440680443502757,2-(2-Thienyl)ethyl toluene-p-sulphonate
CC1C=CC(=CC=1)SC1C=CC(=CC=1)C(=O)C1C=CC=CC=1,3500.0,4.0,2.0,1.0,304.41400000000004,20.0,1.0,CC1C=CC(=CC=1)SC1C=CC(=CC=1)C(=O)C1C=CC=CC=1,3.5440680443502757,"Methanone, [4-[(4-methylphenyl)thio]phenyl]phenyl-"
CC1C=CC(=CC=1)SN(C)C(=O)OC1=CC=CC2CC(C)(C)OC=21,25.0,4.0,2.0,0.0,343.44800000000015,19.0,3.0,CC1C=CC(=CC=1)SN(C)C(=O)OC1=CC=CC2CC(C)(C)OC=21,1.3979400086720377,"Carbamic acid, methyl((4-methylphenyl)thio)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester"
CC1C=CC(=CC=1)SN1C(=O)C2=CC=CC=C2C1=O,5060.0,4.0,3.0,0.0,269.325,15.0,2.0,CC1C=CC(=CC=1)SN1C(=O)C2=CC=CC=C2C1=O,3.7041505168397992,"1H-Isoindole-1,3(2H)-dione, 2-[(4-methylphenyl)thio]-"
CC1C=CC(=CC=1)SP(=S)(CC)OC,93.0,4.0,1.0,0.0,246.337,10.0,1.0,CC1C=CC(=CC=1)SP(=S)(CC)OC,1.968482948553935,
CC1C=CC(=CC=1)SP(=S)(CC)OCC,46.0,4.0,1.0,0.0,260.36400000000003,11.0,1.0,CC1C=CC(=CC=1)SP(=S)(CC)OCC,1.662757831681574,O-Ethyl S-(4-methylphenyl) ethylphosphonodithioate
CC1C=CC(=CC=1)SP(=S)(CCl)OC(C)C,204.0,4.0,1.0,1.0,294.809,11.0,1.0,CC1C=CC(=CC=1)SP(=S)(CCl)OC(C)C,2.3096301674258988,
CC1C=CC(=CC=1)SP(O)(=O)OCC,50.0,4.0,2.0,0.0,232.241,9.0,3.0,CC1C=CC(=CC=1)SP(O)(=O)OCC,1.6989700043360187,"Phosphorothioic acid, O-ethyl S-(4-methylphenyl) ester (9CI)"
CC1C=CC(=CC=1C)C(=O)NS(=O)(=O)C1C=CC(N)=CC=1,2800.0,4.0,3.0,0.0,304.37100000000004,15.0,3.0,CC1C=CC(=CC=1C)C(=O)NS(=O)(=O)C1C=CC(N)=CC=1,3.4471580313422194,"N-Sulfanilyl-3,4-xylamide"
CC1C=CC(=CC=1C)OC(=O)NC,290.0,4.0,2.0,0.0,179.21899999999997,10.0,2.0,CC1C=CC(=CC=1C)OC(=O)NC,2.462397997898956,Xylylcarb
CC1C=CC(=CC=1Cl)NC(=O)N(C)C,10000.0,4.0,2.0,0.0,212.68,10.0,1.0,CC1C=CC(=CC=1Cl)NC(=O)N(C)C,4.0,Chlorotoluron
CC1C=CC(=CC=1N)C(N)=O,1983.0,3.0,2.0,0.0,150.181,8.0,1.0,CC1C=CC(=CC=1N)C(N)=O,3.2973227142053028,3-Amino-4-methylbenzamide
CC1C=CC(=CC=1N)[N+]([O-])=O,574.0,2.0,2.0,0.0,152.153,7.0,2.0,CC1C=CC(=CC=1N)[N+]([O-])=O,2.7589118923979736,"Benzenamine, 2-methyl-5-nitro-, monohydrochloride"
CC1C=CC(=CC=1N=NC1C2C=CC=CC=2C=C(C(=O)NC2=CC(Cl)=C(C=C2Cl)NC(=O)C2=CC3C=CC=CC=3C(N=NC3C=C(C=CC=3C)C(=O)OC(C)C)=C2O)C=1O)C(=O)OC(C)C,7500.0,0.0,0.0,4.0,925.8259999999998,50.0,8.0,CC1C=CC(=CC=1N=NC1C2C=CC=CC=2C=C(C(=O)NC2=CC(Cl)=C(C=C2Cl)NC(=O)C2=CC3C=CC=CC=3C(N=NC3C=C(C=CC=3C)C(=O)OC(C)C)=C2O)C=1O)C(=O)OC(C)C,3.8750612633917,"Benzoic acid, 3,3'-[(2,5-dichloro-1,4-phenylene)bis[iminocarbonyl(2-hydroxy-3,1-naphthalenediyl)-2,1-diazenediyl]]bis[4-methyl-, 1,1'-bis(1-methylethyl) ester"
CC1C=CC(=CC=1OP(=S)(OC)OC)C(C)C,750.0,4.0,1.0,0.0,274.322,12.0,3.0,CC1C=CC(=CC=1OP(=S)(OC)OC)C(C)C,2.8750612633917,"Phosphorothioic acid, O-carvacryl O,O-dimethyl ester"
CC1C=CC(=CC=1S(=O)(=O)Cl)[N+]([O-])=O,7470.0,4.0,2.0,0.0,235.648,7.0,4.0,CC1C=CC(=CC=1S(=O)(=O)Cl)[N+]([O-])=O,3.873320601815399,"o-Toluenesulfonyl chloride, 5-nitro-"
CC1C=CC(=CC=1S(N)(=O)=O)C(O)CNCCOC1=CC=CC=C1OC,10000.0,4.0,1.0,0.0,380.4660000000001,18.0,5.0,CC1C=CC(=CC=1S(N)(=O)=O)C(O)CNCCOC1=CC=CC=C1OC,4.0,
CC1C=CC(=CC=1[N+]([O-])=O)C(O)=O,2751.0,4.0,2.0,0.0,181.147,8.0,4.0,CC1C=CC(=CC=1[N+]([O-])=O)C(O)=O,3.4394905903896835,4-Methyl-3-nitrobenzoic acid
CC1C=CC(=CC=1[N+]([O-])=O)S(C)(=O)=O,1166.0,4.0,2.0,0.0,215.23,8.0,4.0,CC1C=CC(=CC=1[N+]([O-])=O)S(C)(=O)=O,3.0666985504229953,4-Methylsulfonyl-2-nitrotoluene
CC1C=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O,431.0,3.0,2.0,0.0,182.135,7.0,4.0,CC1C=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O,2.6344772701607315,"2,4-Dinitrotoluene"
CC1C=CC(=O)C(C)CC(CC=O)C(OC2OC(C)C(OC3CC(C)(O)C(O)C(C)O3)C(C2O)N(C)C)C(C)C(O)CC(=O)OC(CC)C(COC2OC(C)C(O)C(OC)C2OC)C=1,7500.0,1.0,1.0,3.0,916.112,46.0,17.0,CC1C=CC(=O)C(C)CC(CC=O)C(OC2OC(C)C(OC3CC(C)(O)C(O)C(C)O3)C(C2O)N(C)C)C(C)C(O)CC(=O)OC(CC)C(COC2OC(C)C(O)C(OC)C2OC)C=1,3.8750612633917,Tylosin lactate
CC1C=CC(C(C)C)=C(C=1)OC(=O)NC,500.0,4.0,2.0,0.0,207.273,12.0,2.0,CC1C=CC(C(C)C)=C(C=1)OC(=O)NC,2.6989700043360187,"Carbamic acid, methyl-, thymyl ester"
CC1C=CC(C(C)C)=C(OC(=O)NC)C=1Cl,250.0,4.0,2.0,0.0,241.718,12.0,2.0,CC1C=CC(C(C)C)=C(OC(=O)NC)C=1Cl,2.3979400086720375,"Carbamic acid, methyl-, 6-chlorothymyl ester"
CC1C=CC(C(N)=O)=C(O)C=1,2751.0,3.0,2.0,0.0,151.16500000000002,8.0,2.0,CC1C=CC(C(N)=O)=C(O)C=1,3.4394905903896835,4-Methylsalicylamide
CC1C=CC(C)=C2C(=O)C=C(C)OC=12,2960.0,4.0,2.0,0.0,188.22599999999997,12.0,2.0,CC1C=CC(C)=C2C(=O)C=C(C)OC=12,3.4712917110589387,
CC1C=CC(C)=CC=1,4425.0,1.0,2.0,0.0,106.168,8.0,0.0,CC1C=CC(C)=CC=1,3.6459132750338443,p-Xylene
CC1C=CC(CC)=C(O)C=1,530.0,3.0,2.0,0.0,136.194,9.0,1.0,CC1C=CC(CC)=C(O)C=1,2.724275869600789,"m-Cresol, 6-ethyl-"
CC1C=CC(CC)=CC=1,4850.0,3.0,2.0,0.0,120.19499999999996,9.0,0.0,CC1C=CC(CC)=CC=1,3.6857417386022635,4-Ethyltoluene
CC1C=CC(CC)=CN=1,1116.0,2.0,2.0,0.0,121.18299999999998,8.0,0.0,CC1C=CC(CC)=CN=1,3.04766419460156,5-Ethyl-2-methylpyridine
CC1C=CC(CCC(C)C(O)C(C)C(=O)C(CC)C2OC(CC2C)(CC)C2CCC(O)(CC)C(C)O2)=C(C=1O)C(O)=O,122.0,0.0,0.0,2.0,590.7980000000002,34.0,8.0,CC1C=CC(CCC(C)C(O)C(C)C(=O)C(CC)C2OC(CC2C)(CC)C2CCC(O)(CC)C(C)O2)=C(C=1O)C(O)=O,2.0863598306747484,Lasalocid sodium
CC1C=CC(CCCCCC)=C(O)C=1,2300.0,4.0,0.0,0.0,192.302,13.0,1.0,CC1C=CC(CCCCCC)=C(O)C=1,3.361727836017593,6-Hexyl-m-cresol
CC1C=CC(COC(C)=O)=CC=1,7500.0,4.0,2.0,0.0,164.204,10.0,2.0,CC1C=CC(COC(C)=O)=CC=1,3.8750612633917,4-Methylbenzyl acetate
CC1C=CC(COCCN(CC)CC)=CC=1,531.0,4.0,1.0,0.0,221.344,14.0,1.0,CC1C=CC(COCCN(CC)CC)=CC=1,2.725094521081469,"N,N-Diethyl-2-(4-methylbenzyloxy) ethylamine hydrochloride"
CC1C=CC(Cl)=C(NC2=CC=CC=C2C(=O)OCOCC)C=1Cl,307.0,4.0,0.0,1.0,354.23300000000006,17.0,3.0,CC1C=CC(Cl)=C(NC2=CC=CC=C2C(=O)OCOCC)C=1Cl,2.4871383754771865,Terofenamate
CC1C=CC(Cl)=C(NC2=CC=CC=C2C(O)=O)C=1Cl,100.0,4.0,2.0,0.0,296.153,14.0,2.0,CC1C=CC(Cl)=C(NC2=CC=CC=C2C(O)=O)C=1Cl,2.0,Meclofenamic acid
CC1C=CC(Cl)=CC=1NC(=O)C1C=C2C=CC=CC2=CC=1O,6251.0,4.0,2.0,0.0,311.7680000000001,18.0,2.0,CC1C=CC(Cl)=CC=1NC(=O)C1C=C2C=CC=CC2=CC=1O,3.7959494989028033,"2-Naphthalenecarboxamide, N-(5-chloro-2-methylphenyl)-3-hydroxy-"
CC1C=CC(N)=C(Cl)C=1O,1360.0,2.0,2.0,0.0,157.60000000000002,7.0,1.0,CC1C=CC(N)=C(Cl)C=1O,3.1335389083702174,5-Amino-6-chloro-o-cresol
CC1C=CC(N)=CC=1Br,180.0,3.0,2.0,0.0,186.052,7.0,0.0,CC1C=CC(N)=CC=1Br,2.255272505103306,"Benzenamine, 3-bromo-4-methyl- (9CI)"
CC1C=CC(N)=CC=1Cl,502.5,2.0,2.0,0.0,141.601,7.0,0.0,CC1C=CC(N)=CC=1Cl,2.7011360660925265,3-Chloro-4-methylbenzenamine hydrochloride
CC1C=CC(N)=CC=1N,112.0,2.0,2.0,0.0,122.17100000000002,7.0,0.0,CC1C=CC(N)=CC=1N,2.0492180226701815,"2,4-Diaminotoluene dihydrochloride"
CC1C=CC(N)=CC=1O,3600.0,1.0,2.0,0.0,123.155,7.0,1.0,CC1C=CC(N)=CC=1O,3.5563025007672873,5-Amino-2-methylphenol
CC1C=CC(N)=CC=1S(=O)(=O)NC1C=CC=CC=1,681.0,4.0,3.0,0.0,262.334,13.0,2.0,CC1C=CC(N)=CC=1S(=O)(=O)NC1C=CC=CC=1,2.833147111912785,"Benzenesulfonamide, 5-amino-2-methyl-N-phenyl-"
CC1C=CC(N)=CC=1[N+]([O-])=O,6860.0,2.0,2.0,0.0,152.15300000000002,7.0,2.0,CC1C=CC(N)=CC=1[N+]([O-])=O,3.8363241157067516,4-Methyl-3-nitroaniline
CC1C=CC(O)=C(C=1)C(C)(C)C,2800.0,4.0,2.0,0.0,164.248,11.0,1.0,CC1C=CC(O)=C(C=1)C(C)(C)C,3.4471580313422194,2-tert-Butyl-4-methylphenol
CC1C=CC(OC2C=CC(=CC=2Cl)C(C)CC)=C(CC(O)=O)C=1,1109.0,4.0,1.0,1.0,332.827,19.0,3.0,CC1C=CC(OC2C=CC(=CC=2Cl)C(C)CC)=C(CC(O)=O)C=1,3.04493154614916,
CC1C=CC(OC2C=CC(CC)=CC=2Cl)=C(CC(O)=O)C=1,2853.0,4.0,2.0,0.0,304.773,17.0,3.0,CC1C=CC(OC2C=CC(CC)=CC=2Cl)=C(CC(O)=O)C=1,3.4553017716570764,
CC1C=CC(OP(=S)(NC(C)C)OC)=C(C=1)[N+]([O-])=O,309.0,4.0,2.0,0.0,304.30800000000005,11.0,4.0,CC1C=CC(OP(=S)(NC(C)C)OC)=C(C=1)[N+]([O-])=O,2.4899584794248346,Amiprofos-methyl
CC1C=CC2=C(C=1)N(C(C)C)C(=O)N=C2C1C=C(O)C=CC=1,1595.0,4.0,2.0,0.0,294.35400000000004,18.0,2.0,CC1C=CC2=C(C=1)N(C(C)C)C(=O)N=C2C1C=C(O)C=CC=1,3.2027606873931997,Compound 50-892
CC1C=CC2=C(C=1)SC(C1C=CC(=CC=1)N(C)C)=[N+]2C,200.0,4.0,2.0,0.0,283.42,17.0,0.0,CC1C=CC2=C(C=1)SC(C1C=CC(=CC=1)N(C)C)=[N+]2C,2.3010299956639813,"Benzothiazolium, 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-, chloride (1:1)"
CC1C=CC2=C(N=1)N(CC)C=C(C(O)=O)C2=O,1490.0,4.0,2.0,0.0,232.239,12.0,3.0,CC1C=CC2=C(N=1)N(CC)C=C(C(O)=O)C2=O,3.173186268412274,Nalidixic acid
CC1C=CC2C=1C=C(C=CC=2C)C(C)C,1550.0,4.0,1.0,0.0,198.309,15.0,0.0,CC1C=CC2C=1C=C(C=CC=2C)C(C)C,3.1903316981702914,Guaiazulene
CC1C=CC2C=CC=CC=2N=1,1230.0,3.0,2.0,0.0,143.189,10.0,0.0,CC1C=CC2C=CC=CC=2N=1,3.089905111439398,Quinaldine
CC1C=CC2CC3C4CCCCC4(CCN3C)C=2C=1,690.0,4.0,2.0,0.0,255.40499999999992,18.0,0.0,CC1C=CC2CC3C4CCCCC4(CCN3C)C=2C=1,2.838849090737255,Dimemorfan phosphate
CC1C=CC2N=C(SC=2C=1S(O)(=O)=O)C1C=CC(N)=CC=1,6251.0,4.0,3.0,0.0,320.39500000000004,14.0,3.0,CC1C=CC2N=C(SC=2C=1S(O)(=O)=O)C1C=CC(N)=CC=1,3.7959494989028033,2-(4-Aminophenyl)-6-methylbenzothiazole sulfonic acid
CC1C=CC2SC3C=CC(=CC=3C(=O)CC=2C=1)C(C)C(O)=O,100.0,4.0,2.0,0.0,312.39000000000004,18.0,3.0,CC1C=CC2SC3C=CC(=CC=3C(=O)CC=2C=1)C(C)C(O)=O,2.0,
CC1C=CC=C(C(=O)C2C=CC=CC=2)C=1C,4920.0,4.0,1.0,0.0,210.276,15.0,1.0,CC1C=CC=C(C(=O)C2C=CC=CC=2)C=1C,3.69196510276736,
CC1C=CC=C(C(O)=O)C=1O,445.0,1.0,2.0,0.0,152.149,8.0,3.0,CC1C=CC=C(C(O)=O)C=1O,2.6483600109809315,2-Hydroxy-3-methylbenzoic acid
CC1C=CC=C(C)C=1N,1579.0,3.0,2.0,0.0,121.183,8.0,0.0,CC1C=CC=C(C)C=1N,3.1983821300082944,"2,6-Dimethylaniline"
CC1C=CC=C(C)C=1N(C(C)C(=O)OC)C(=O)CC1C=CC=CC=1,3187.0,4.0,2.0,0.0,325.4080000000001,20.0,3.0,CC1C=CC=C(C)C=1N(C(C)C(=O)OC)C(=O)CC1C=CC=CC=1,3.5033820634737327,Benalaxyl
CC1C=CC=C(C)C=1N(C(C)C(=O)OC)C(=O)COC,617.5,4.0,2.0,0.0,279.336,15.0,4.0,CC1C=CC=C(C)C=1N(C(C)C(=O)OC)C(=O)COC,2.7906369619317033,Metalaxyl
CC1C=CC=C(C)C=1N(C1CCOC1=O)C(=O)CCl,2600.0,4.0,3.0,0.0,281.739,14.0,3.0,CC1C=CC=C(C)C=1N(C1CCOC1=O)C(=O)CCl,3.4149733479708178,Ofurace
CC1C=CC=C(C)C=1N(CCOC)C(=O)CCl,1600.0,4.0,2.0,0.0,255.745,13.0,2.0,CC1C=CC=C(C)C=1N(CCOC)C(=O)CCl,3.2041199826559246,Dimethachlor
CC1C=CC=C(C)C=1N(CN1C=CC=N1)C(=O)CCl,1750.0,4.0,3.0,0.0,277.755,14.0,1.0,CC1C=CC=C(C)C=1N(CN1C=CC=N1)C(=O)CCl,3.2430380486862944,Metazachlor
CC1C=CC=C(C)C=1N(COCC(C)C)C(=O)CCl,1775.0,4.0,1.0,0.0,283.799,15.0,2.0,CC1C=CC=C(C)C=1N(COCC(C)C)C(=O)CCl,3.249198357391113,Delachlor
CC1C=CC=C(C)C=1NC(=O)C1=CC(=C(Cl)C=C1O)S(N)(=O)=O,1640.0,4.0,2.0,0.0,354.81500000000005,15.0,4.0,CC1C=CC=C(C)C=1NC(=O)C1=CC(=C(Cl)C=C1O)S(N)(=O)=O,3.214843848047698,Xipamide
CC1C=CC=C(C)C=1NC(=O)C1CCCCN1C,7500.0,4.0,2.0,0.0,246.35399999999996,15.0,1.0,CC1C=CC=C(C)C=1NC(=O)C1CCCCN1C,3.8750612633917,Mepivacaine
CC1C=CC=C(C)C=1NC(=O)CC12CCCN1CCC2,255.0,4.0,3.0,0.0,272.392,17.0,1.0,CC1C=CC=C(C)C=1NC(=O)CC12CCCN1CCC2,2.406540180433955,Pilsicainide
CC1C=CC=C(C)C=1NC(=O)CN(CC)CC,317.0,4.0,1.0,0.0,234.343,14.0,1.0,CC1C=CC=C(C)C=1NC(=O)CN(CC)CC,2.5010592622177517,Lidocaine hydrochloride monohydrate
CC1C=CC=C(C)C=1NC(=O)CN1CCCC1=O,1182.0,4.0,2.0,0.0,246.30999999999997,14.0,2.0,CC1C=CC=C(C)C=1NC(=O)CN1CCCC1=O,3.0726174765452368,Nefiracetam
CC1C=CC=C(C)C=1NC(=O)CN1CCN(CCCC(C2C=CC(F)=CC=2)C2C=CC(F)=CC=2)CC1,3200.0,0.0,0.0,1.0,491.6260000000002,30.0,1.0,CC1C=CC=C(C)C=1NC(=O)CN1CCN(CCCC(C2C=CC(F)=CC=2)C2C=CC(F)=CC=2)CC1,3.505149978319906,Lidoflazine
CC1C=CC=C(C)C=1NC(=O)C[N+](CC1C=CC=CC=1)(CC)CC,640.0,4.0,1.0,0.0,325.476,21.0,1.0,CC1C=CC=C(C)C=1NC(=O)C[N+](CC1C=CC=CC=1)(CC)CC,2.806179973983887,Denatonium- parent
CC1C=CC=C(C)C=1NC(=O)N=C1CCCN1C,830.0,4.0,2.0,0.0,245.32599999999996,14.0,1.0,CC1C=CC=C(C)C=1NC(=O)N=C1CCCN1C,2.9190780923760737,Xilobam
CC1C=CC=C(C)C=1NC1=NC=CC=C1C(O)=O,2.3,4.0,2.0,0.0,242.278,14.0,2.0,CC1C=CC=C(C)C=1NC1=NC=CC=C1C(O)=O,0.36172783601759284,Metanixin
CC1C=CC=C(C)C=1NC1=NCCCS1,130.0,4.0,2.0,0.0,220.341,12.0,0.0,CC1C=CC=C(C)C=1NC1=NCCCS1,2.113943352306837,Xylazine hydrochloride
CC1C=CC=C(C)C=1O,883.0,1.0,2.0,0.0,122.167,8.0,1.0,CC1C=CC=C(C)C=1O,2.9459607035775686,"2,6-Dimethylphenol"
CC1C=CC=C(C)C=1OCC(C)=O,2985.0,4.0,2.0,0.0,178.231,11.0,2.0,CC1C=CC=C(C)C=1OCC(C)=O,3.4749443354653877,"1-(2,6-Dimethylphenoxy)acetone"
CC1C=CC=C(C)C=1OCC(C)N,330.0,4.0,2.0,0.0,179.26299999999998,11.0,1.0,CC1C=CC=C(C)C=1OCC(C)N,2.5185139398778875,Mexiletine
CC1C=CC=C(C)C=1OCC(O)=O,250.0,4.0,2.0,0.0,180.20299999999995,10.0,3.0,CC1C=CC=C(C)C=1OCC(O)=O,2.3979400086720375,"Acetic acid, (2,6-dimethylphenoxy)- (9CI)"
CC1C=CC=C(C)C=1OP(=O)(OC1C(C)=CC=CC=1C)OC1C(C)=CC=CC=1C,10001.0,3.0,0.0,1.0,410.45000000000016,24.0,4.0,CC1C=CC=C(C)C=1OP(=O)(OC1C(C)=CC=CC=1C)OC1C(C)=CC=CC=1C,4.000043427276863,"Tris(2,6-dimethylphenyl) phosphate"
CC1C=CC=C(C)N=1,400.0,1.0,2.0,0.0,107.156,7.0,0.0,CC1C=CC=C(C)N=1,2.6020599913279625,"2,6-Dimethylpyridine"
CC1C=CC=C(C=1)/C(/NC1C=C(Cl)C=CC=1OC)=NC1CCCCC1,1000.0,3.0,1.0,1.0,356.8970000000001,21.0,1.0,CC1C=CC=C(C=1)/C(/NC1C=C(Cl)C=CC=1OC)=NC1CCCCC1,3.0,"Benzenecarboximidamide, N-(5-chloro-2-methoxyphenyl)-N'-cyclohexyl-3-methyl-, monohydrochloride"
CC1C=CC=C(C=1)C(=O)N(CC)CC,1988.0,4.0,2.0,0.0,191.274,12.0,1.0,CC1C=CC=C(C=1)C(=O)N(CC)CC,3.2984163800612945,DEET
CC1C=CC=C(C=1)N(C)C(=S)OC1=CC2=CC=CC=C2C=C1,6000.0,4.0,2.0,0.0,307.41800000000006,19.0,1.0,CC1C=CC=C(C=1)N(C)C(=S)OC1=CC2=CC=CC=C2C=C1,3.7781512503836434,Tolnaftate
CC1C=CC=C(C=1)N(CCCl)CC,1150.0,4.0,2.0,0.0,197.70900000000003,11.0,0.0,CC1C=CC=C(C=1)N(CCCl)CC,3.060697840353612,"Benzenamine, N-(2-chloroethyl)-N-ethyl-3-methyl-"
CC1C=CC=C(C=1)N=NN(C)C,300.0,4.0,2.0,0.0,163.22400000000002,9.0,0.0,CC1C=CC=C(C=1)N=NN(C)C,2.4771212547196626,"1-(3-TOLYL)-3,3-DIMETHYLTRIAZENE"
CC1C=CC=C(C=1)NC(=O)OC1C=C(C=CC=1)NC(=O)OC,5500.0,4.0,2.0,0.0,300.314,16.0,4.0,CC1C=CC=C(C=1)NC(=O)OC1C=C(C=CC=1)NC(=O)OC,3.7403626894942437,Phenmedipham
CC1C=CC=C(C=1)NC1C=CC(NC)=C2C(=O)C3C=CC=CC=3C(=O)C=12,3500.0,4.0,2.0,0.0,342.3980000000001,22.0,2.0,CC1C=CC=C(C=1)NC1C=CC(NC)=C2C(=O)C3C=CC=CC=3C(=O)C=12,3.5440680443502757,"9,10-Anthracenedione, 1-(methylamino)-4-[(3-methylphenyl)amino]-"
CC1C=CC=C(C=1)O/C(/O)=N/C,441.0,4.0,2.0,0.0,165.19199999999998,9.0,2.0,CC1C=CC=C(C=1)O/C(/O)=N/C,2.6444385894678386,Metolcarb
CC1C=CC=C(C=1C)N1CCN(CCC(O)C2C=C3CCC(=O)NC3=CC=2)CC1,500.0,4.0,1.0,0.0,393.53100000000023,24.0,2.0,CC1C=CC=C(C=1C)N1CCN(CCC(O)C2C=C3CCC(=O)NC3=CC=2)CC1,2.6989700043360187,
CC1C=CC=C(CC(C)(C)CO)C=1,3440.0,4.0,2.0,0.0,178.275,12.0,1.0,CC1C=CC=C(CC(C)(C)CO)C=1,3.53655844257153,"2,2-Dimethyl-3-(3-methylphenyl)propanol"
CC1C=CC=C(CC)C=1N,885.0,3.0,2.0,0.0,135.20999999999995,9.0,0.0,CC1C=CC=C(CC)C=1N,2.9469432706978256,2-Ethyl-6-methylaniline
CC1C=CC=C(CC)C=1NC1=CC=C(NC2C(CC)=CC=CC=2C)C2=C1C(=O)C1=CC=CC=C1C2=O,6251.0,2.0,0.0,1.0,474.6040000000002,32.0,2.0,CC1C=CC=C(CC)C=1NC1=CC=C(NC2C(CC)=CC=CC=2C)C2=C1C(=O)C1=CC=CC=C1C2=O,3.7959494989028033,"9,10-Anthracenedione, 1,4-bis[(2-ethyl-6-methylphenyl)amino]-"
CC1C=CC=C(Cl)C=1NC(=O)C=C1SCC(=O)N1C,1350.0,4.0,3.0,0.0,296.77900000000005,13.0,2.0,CC1C=CC=C(Cl)C=1NC(=O)C=C1SCC(=O)N1C,3.130333768495006,Ralitoline
CC1C=CC=C(N)N=1,100.0,1.0,2.0,0.0,108.14400000000002,6.0,0.0,CC1C=CC=C(N)N=1,2.0,6-Methylpyridin-2-amine
CC1C=CC=C2C=CC=CC2=1,1840.0,3.0,2.0,0.0,142.201,11.0,0.0,CC1C=CC=C2C=CC=CC2=1,3.2648178230095364,1-Methylnaphthalene
CC1C=CC=C2SC3=NN=CN3C2=1,250.0,4.0,2.0,0.0,189.243,9.0,0.0,CC1C=CC=C2SC3=NN=CN3C2=1,2.3979400086720375,"2,7,8,9-Tricyclazole"
CC1C=CC=CC=1,4079.0,1.0,2.0,0.0,92.141,7.0,0.0,CC1C=CC=CC=1,3.6105537053170944,Benzylsodium
CC1C=CC=CC=1C,4223.0,1.0,2.0,0.0,106.168,8.0,0.0,CC1C=CC=CC=1C,3.625621081424908,o-Xylene
CC1C=CC=CC=1C(=O)NC1=CC(=CC=C1)OC(C)C,10000.0,4.0,2.0,0.0,269.344,17.0,2.0,CC1C=CC=CC=1C(=O)NC1=CC(=CC=C1)OC(C)C,4.0,Mepronil
CC1C=CC=CC=1C(=O)NC1C=CC=CC=1,6000.0,4.0,2.0,0.0,211.264,14.0,1.0,CC1C=CC=CC=1C(=O)NC1C=CC=CC=1,3.7781512503836434,Mebenil
CC1C=CC=CC=1C(=O)OC,3300.0,3.0,2.0,0.0,150.17699999999996,9.0,2.0,CC1C=CC=CC=1C(=O)OC,3.5185139398778875,Methyl 2-methylbenzoate
CC1C=CC=CC=1C(C)C,2130.0,3.0,2.0,0.0,134.22199999999998,10.0,0.0,CC1C=CC=CC=1C(C)C,3.3283796034387376,1-Methyl-2-(propan-2-yl)benzene
CC1C=CC=CC=1Cl,3038.0,1.0,2.0,0.0,126.586,7.0,0.0,CC1C=CC=CC=1Cl,3.4825877695267677,2-Chlorotoluene
CC1C=CC=CC=1N,710.0,1.0,2.0,0.0,107.156,7.0,0.0,CC1C=CC=CC=1N,2.8512583487190755,2-Methylaniline
CC1C=CC=CC=1N1C(=O)C2C=C(N)C=CC=2N=C1CF,249.0,4.0,3.0,0.0,283.30600000000004,16.0,1.0,CC1C=CC=CC=1N1C(=O)C2C=C(N)C=CC=2N=C1CF,2.3961993470957363,Afloqualone
CC1C=CC=CC=1N=C=O,1600.0,1.0,2.0,0.0,133.15,8.0,1.0,CC1C=CC=CC=1N=C=O,3.2041199826559246,1-Isocyanato-2-methylbenzene
CC1C=CC=CC=1N=NC1C(N)=CC=C2C=CC=CC2=1,120.0,4.0,2.0,1.0,261.32800000000003,17.0,0.0,CC1C=CC=CC=1N=NC1C(N)=CC=C2C=CC=CC2=1,2.0791812460476247,C.I. Solvent Yellow 6
CC1C=CC=CC=1NC(=N)NC(N)=N,1540.0,4.0,2.0,0.0,191.23800000000003,9.0,0.0,CC1C=CC=CC=1NC(=N)NC(N)=N,3.187520720836463,1-(o-Tolyl)biguanide
CC1C=CC=CC=1NC(=N)NC1=CC=CC=C1C,120.0,4.0,1.0,0.0,239.32200000000003,15.0,0.0,CC1C=CC=CC=1NC(=N)NC1=CC=CC=C1C,2.0791812460476247,"1,3-Bis(2-methylphenyl)guanidine"
CC1C=CC=CC=1NC(=O)C1C=C2C=CC=CC2=C(N=NC2C=C(Cl)C(Cl)=CC=2Cl)C=1O,10000.0,1.0,1.0,1.0,484.7700000000002,24.0,2.0,CC1C=CC=CC=1NC(=O)C1C=C2C=CC=CC2=C(N=NC2C=C(Cl)C(Cl)=CC=2Cl)C=1O,4.0,C.I. Pigment Red 112
CC1C=CC=CC=1NC(=O)C1C=C2C=CC=CC2=C(N=NC2C=CC(=CC=2C)[N+]([O-])=O)C=1O,10001.0,3.0,0.0,1.0,440.4590000000001,25.0,4.0,CC1C=CC=CC=1NC(=O)C1C=C2C=CC=CC2=C(N=NC2C=CC(=CC=2C)[N+]([O-])=O)C=1O,4.000043427276863,"2-Naphthalenecarboxamide, 3-hydroxy-4-[(2-methyl-4-nitrophenyl)azo]-N-(2-methylphenyl)-"
CC1C=CC=CC=1NCCO,2200.0,3.0,2.0,0.0,151.209,9.0,1.0,CC1C=CC=CC=1NCCO,3.342422680822206,"Ethanol, 2-[(2-methylphenyl)amino]-"
CC1C=CC=CC=1O,736.0,1.0,2.0,0.0,108.14,7.0,1.0,CC1C=CC=CC=1O,2.866877814337499,"Phenol, methyl-, compd. with 2-aminoethanol (1:1)"
CC1C=CC=CC=1OCC(O)COC(N)=O,1050.0,4.0,2.0,0.0,225.24399999999997,11.0,4.0,CC1C=CC=CC=1OCC(O)COC(N)=O,3.0211892990699383,
CC1C=CC=CC=1OCC1C=CC=CC=1C(=NOC)C(=O)OC,7500.0,4.0,2.0,0.0,313.353,18.0,4.0,CC1C=CC=CC=1OCC1C=CC=CC=1C(=NOC)C(=O)OC,3.8750612633917,Kresoxim-methyl
CC1C=CC=CC=1OP(=O)(OC1C=CC=CC=1C)OC1C=CC=CC=1C,3875.0,3.0,0.0,1.0,368.36900000000014,21.0,4.0,CC1C=CC=CC=1OP(=O)(OC1C=CC=CC=1C)OC1C=CC=CC=1C,3.588271706842329,Tri-o-cresyl phosphate
CC1C=CC=CC=1OP(OC1C=CC=CC=1C)OC1C=CC=CC=1C,1150.0,3.0,0.0,1.0,352.3700000000001,21.0,3.0,CC1C=CC=CC=1OP(OC1C=CC=CC=1C)OC1C=CC=CC=1C,3.060697840353612,"Phosphorous acid, tris(methylphenyl) ester"
CC1C=CC=CC=1P(C1C=CC=CC=1C)C1C=CC=CC=1C,3500.0,4.0,2.0,0.0,304.37300000000005,21.0,0.0,CC1C=CC=CC=1P(C1C=CC=CC=1C)C1C=CC=CC=1C,3.5440680443502757,"Phosphine, tris(2-methylphenyl)-"
CC1C=CC=CC=1S(N)(=O)=O,2920.0,4.0,2.0,0.0,171.22099999999998,7.0,2.0,CC1C=CC=CC=1S(N)(=O)=O,3.4653828514484184,o-Toluenesulfonamide
CC1C=CC=CC=CC=CC=CC=CC=CC(CC2OC(O)(CC(O)C2C(O)=O)CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C1O)OC1OC(C)C(O)C(N)C1O,7500.0,1.0,1.0,3.0,924.0910000000003,47.0,17.0,CC1C=CC=CC=CC=CC=CC=CC=CC(CC2OC(O)(CC(O)C2C(O)=O)CC(O)CC(O)C(O)CCC(O)CC(O)CC(=O)OC(C)C(C)C1O)OC1OC(C)C(O)C(N)C1O,3.8750612633917,Amphotericin B
CC1C=CC=CN=1,951.0,1.0,2.0,0.0,93.129,6.0,0.0,CC1C=CC=CN=1,2.978180516937414,2-Methylpyridine
CC1C=CC=NC=1N,100.0,1.0,2.0,0.0,108.14400000000002,6.0,0.0,CC1C=CC=NC=1N,2.0,2-Amino-3-methylpyridine
CC1C=CCC(C)(C)C=1C(=O)OCC,2751.0,4.0,2.0,0.0,194.27399999999997,12.0,2.0,CC1C=CCC(C)(C)C=1C(=O)OCC,3.4394905903896835,"1,3-Cyclohexadiene-1-carboxylic acid, 2,6,6-trimethyl-, ethyl ester"
CC1C=CCC(C)(C)C=1C=O,1150.0,3.0,2.0,0.0,150.221,10.0,1.0,CC1C=CCC(C)(C)C=1C=O,3.060697840353612,"2,6,6-Trimethylcyclohexa-1,3-dienylmethanal"
CC1C=CN(CO)N=1,1650.0,1.0,2.0,0.0,112.132,5.0,1.0,CC1C=CN(CO)N=1,3.2174839442139063,N-Hydroxymethyl-3-methylpyrazole
CC1C=CN(N=1)C(=O)NCCCCCCCl,5250.0,4.0,2.0,0.0,243.73799999999991,11.0,1.0,CC1C=CN(N=1)C(=O)NCCCCCCCl,3.720159303405957,"1H-Pyrazole-1-carboxamide, N-(6-chlorohexyl)-3-methyl-"
CC1C=CN2C(C=1)=NC=C(C(=O)NCCC)C2=O,250.0,4.0,2.0,0.0,245.282,13.0,2.0,CC1C=CN2C(C=1)=NC=C(C(=O)NCCC)C2=O,2.3979400086720375,"4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 8-methyl-4-oxo-N-propyl-"
CC1C=CN2N=C(N=C2N=1)S(=O)(=O)NC1C(F)=CC=CC=1F,6251.0,4.0,3.0,0.0,325.30000000000007,12.0,2.0,CC1C=CN2N=C(N=C2N=1)S(=O)(=O)NC1C(F)=CC=CC=1F,3.7959494989028033,Flumetsulam
CC1C=CN=C(N=1)SCCC(F)=C(F)F,844.0,4.0,2.0,0.0,234.246,9.0,0.0,CC1C=CN=C(N=1)SCCC(F)=C(F)F,2.926342446625655,
CC1C=CN=CC=1,628.0,1.0,2.0,0.0,93.129,6.0,0.0,CC1C=CN=CC=1,2.797959643737196,4-Methylpyridine
CC1C=CNN=1,929.75,1.0,2.0,0.0,82.10600000000001,4.0,0.0,CC1C=CNN=1,2.9683661870310103,3-Methylpyrazole
CC1C=COC=1C,300.0,1.0,2.0,0.0,96.129,6.0,1.0,CC1C=COC=1C,2.4771212547196626,"Furan, dimethyl-"
CC1C=CSC=1C=CC1=NCCCN1C,926.0,4.0,2.0,0.0,220.34099999999995,12.0,0.0,CC1C=CSC=1C=CC1=NCCCN1C,2.966610986681934,Morantel citrate
CC1C=NC(=C(C=1)C(=O)OC)C(=O)OC,7500.0,4.0,2.0,0.0,209.20099999999996,10.0,4.0,CC1C=NC(=C(C=1)C(=O)OC)C(=O)OC,3.8750612633917,"2,3-Pyridinedicarboxylic acid, 5-methyl-, 2,3-dimethyl ester"
CC1C=NC(C)=CC=1,800.0,1.0,2.0,0.0,107.156,7.0,0.0,CC1C=NC(C)=CC=1,2.9030899869919438,"2,5-Dimethylpyridine"
CC1C=NC(C)=CN=1,1020.0,1.0,2.0,0.0,108.144,6.0,0.0,CC1C=NC(C)=CN=1,3.0086001717619175,"2,5-Dimethylpyrazine"
CC1C=NC(CC)=CN=1,900.0,1.0,2.0,0.0,122.17099999999998,7.0,0.0,CC1C=NC(CC)=CN=1,2.9542425094393248,"Pyrazine, 2-ethyl-5-methyl-"
CC1C=NC=C(C)N=1,880.0,1.0,2.0,0.0,108.144,6.0,0.0,CC1C=NC=C(C)N=1,2.9444826721501687,"2,6-Dimethylpyrazine"
CC1C=NC=CC=1,650.0,1.0,2.0,0.0,93.129,6.0,0.0,CC1C=NC=CC=1,2.8129133566428557,3-Methylpyridine
CC1C=NC=CC=1N,446.0,1.0,2.0,0.0,108.144,6.0,0.0,CC1C=NC=CC=1N,2.649334858712142,3-Methyl-4-aminopyridine
CC1C=NC=CN=1,1800.0,1.0,2.0,0.0,94.117,5.0,0.0,CC1C=NC=CN=1,3.255272505103306,2-Methylpyrazine
CC1C=NN(C)C=1,913.0,1.0,2.0,0.0,96.133,5.0,0.0,CC1C=NN(C)C=1,2.960470777534299,"1,4-Dimethylpyrazole"
CC1CC(=CC)C(=O)OC2CCN3CC=C(COC(=O)C1(O)CO)C32,34.0,4.0,2.0,0.0,351.3990000000001,18.0,6.0,CC1CC(=CC)C(=O)OC2CCN3CC=C(COC(=O)C1(O)CO)C32,1.5314789170422551,Retrorsine
CC1CC(=CC)C(=O)OC2CC[N+]3([O-])CC=C(COC(=O)C1(O)CO)C32,48.0,4.0,2.0,0.0,367.39800000000014,18.0,7.0,CC1CC(=CC)C(=O)OC2CC[N+]3([O-])CC=C(COC(=O)C1(O)CO)C32,1.6812412373755872,Isatidine
CC1CC(=N)N(N=1)C1=CC(=CC=C1)S(O)(=O)=O,4500.0,4.0,3.0,0.0,253.28299999999996,10.0,3.0,CC1CC(=N)N(N=1)C1=CC(=CC=C1)S(O)(=O)=O,3.6532125137753435,"Benzenesulfonic acid, 3-(4,5-dihydro-5-imino-3-methyl-1H-pyrazol-1-yl)-"
CC1CC(=O)C(CC=CCCCC(O)=O)C1C=CC(O)C(C)(C)CCCC,22.0,4.0,0.0,1.0,378.5530000000002,23.0,4.0,CC1CC(=O)C(CC=CCCCC(O)=O)C1C=CC(O)C(C)(C)CCCC,1.3424226808222062,
CC1CC(=O)C2(O)OC3C(OC2O1)C(O)C(NC)C(O)C3NC,7500.0,3.0,2.0,0.0,332.353,14.0,7.0,CC1CC(=O)C2(O)OC3C(OC2O1)C(O)C(NC)C(O)C3NC,3.8750612633917,Spectinomycin dihydrochloride
CC1CC(=O)CC(C)(C)C1,3500.0,3.0,2.0,0.0,140.22599999999997,9.0,1.0,CC1CC(=O)CC(C)(C)C1,3.5440680443502757,"3,3,5-Trimethylcyclohexanone"
CC1CC(=O)CC(C)(C)C=1,2225.0,3.0,2.0,0.0,138.20999999999998,9.0,1.0,CC1CC(=O)CC(C)(C)C=1,3.3473300153169503,beta-Isophorone
CC1CC(=O)CCCCCCCCCCCC1,7500.0,4.0,1.0,1.0,238.4149999999999,16.0,1.0,CC1CC(=O)CCCCCCCCCCCC1,3.8750612633917,3-Methylcyclopentadecan-1-one
CC1CC(=O)N(C)N=1,1150.0,1.0,2.0,0.0,112.132,5.0,1.0,CC1CC(=O)N(C)N=1,3.060697840353612,"3H-Pyrazol-3-one, 2,4-dihydro-2,5-dimethyl-"
CC1CC(=O)N(CCCC)C(=O)C=1C#N,10000.0,4.0,2.0,0.0,206.245,11.0,2.0,CC1CC(=O)N(CCCC)C(=O)C=1C#N,4.0,"3-Pyridinecarbonitrile, 1-butyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-"
CC1CC(=O)N(N=1)C1=CC(=CC=C1)S(O)(=O)=O,2751.0,4.0,3.0,0.0,254.2669999999999,10.0,4.0,CC1CC(=O)N(N=1)C1=CC(=CC=C1)S(O)(=O)=O,3.4394905903896835,"3-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid"
CC1CC(=O)N(N=1)C1C=CC(=CC=1)S(O)(=O)=O,7500.0,4.0,3.0,0.0,254.26699999999997,10.0,4.0,CC1CC(=O)N(N=1)C1C=CC(=CC=1)S(O)(=O)=O,3.8750612633917,"4-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid"
CC1CC(=O)N(N=1)C1C=CC(C)=CC=1,7991.0,4.0,2.0,0.0,188.22999999999996,11.0,1.0,CC1CC(=O)N(N=1)C1C=CC(C)=CC=1,3.902601130666531,"5-Methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one"
CC1CC(=O)N(N=1)C1C=CC=CC=1,1915.0,4.0,2.0,0.0,174.20299999999995,10.0,1.0,CC1CC(=O)N(N=1)C1C=CC=CC=1,3.2821687783046416,1-Phenyl-3-methyl-5-pyrazolone
CC1CC(=O)N=C(N=1)C(C)C,2700.0,3.0,2.0,0.0,152.19699999999995,8.0,1.0,CC1CC(=O)N=C(N=1)C(C)C,3.4313637641589874,2-Isopropyl-6-methyl-4-pyrimidone
CC1CC(=O)N=C(N=1)N(CC)CC,1200.0,4.0,2.0,0.0,181.239,9.0,1.0,CC1CC(=O)N=C(N=1)N(CC)CC,3.0791812460476247,2-(Diethylamino)-6-methyl-1H-pyrimidin-4-one
CC1CC(=O)N=N1,7500.0,1.0,2.0,0.0,98.105,4.0,1.0,CC1CC(=O)N=N1,3.8750612633917,3-Methyl-5-pyrazolone
CC1CC(=O)NC(=O)N=1,10001.0,1.0,2.0,0.0,126.11499999999998,5.0,2.0,CC1CC(=O)NC(=O)N=1,4.000043427276863,6-Methyluracil
CC1CC(=O)NC(=S)N=1,1500.0,1.0,2.0,0.0,142.183,5.0,1.0,CC1CC(=O)NC(=S)N=1,3.1760912590556813,6-Methyl-2-thiouracil
CC1CC(C(O)CC2CC(=O)NC(=O)C2)C(=O)C(C)C1,2.0,4.0,3.0,0.0,281.35200000000003,15.0,4.0,CC1CC(C(O)CC2CC(=O)NC(=O)C2)C(=O)C(C)C1,0.3010299956639812,Cycloheximide
CC1CC(C)(C)CC(=O)C=1,2032.0,3.0,2.0,0.0,138.20999999999998,9.0,1.0,CC1CC(C)(C)CC(=O)C=1,3.307923703611882,Isophorone
CC1CC(C)(C)CC(C1)OC(=O)C(O)C1=CC=CC=C1,7500.0,4.0,3.0,0.0,276.37600000000003,17.0,3.0,CC1CC(C)(C)CC(C1)OC(=O)C(O)C1=CC=CC=C1,3.8750612633917,Cyclandelate
CC1CC(C)(C)OC(CC2C=CC=CC=2)O1,7500.0,4.0,2.0,0.0,220.312,14.0,2.0,CC1CC(C)(C)OC(CC2C=CC=CC=2)O1,3.8750612633917,"2-Benzyl-4,4,6-trimethyl-1,3-dioxane"
CC1CC(C)(C)OC(CCCC)O1,7500.0,4.0,2.0,0.0,186.29499999999996,11.0,2.0,CC1CC(C)(C)OC(CCCC)O1,3.8750612633917,"2-Butyl-4,4,6-trimethyl-1,3-dioxane"
CC1CC(C)=CC(CCCC)O1,7500.0,4.0,2.0,0.0,168.27999999999997,11.0,1.0,CC1CC(C)=CC(CCCC)O1,3.8750612633917,"6-Butyl-3,6-dihydro-2,4-dimethyl-2H-pyran"
CC1CC(C)C(C)CC1C,10001.0,3.0,2.0,0.0,140.26999999999998,10.0,0.0,CC1CC(C)C(C)CC1C,4.000043427276863,"1,2,4,5-Tetramethylcyclohexane"
CC1CC(C)C(C=CC(C)=O)C(C)C=1,5200.0,4.0,2.0,0.0,192.30199999999996,13.0,1.0,CC1CC(C)C(C=CC(C)=O)C(C)C=1,3.716003343634799,"4-(2,4,6-Trimethyl-3-cyclohexen-1-yl)-3-buten-2-one"
CC1CC(C)CC(OC)C2OC(O)(C(C)CC2OC)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)C(O)CC(=O)C(CC=C)C=1)C(C)=CC1CC(OC)C(O)CC1,134.0,1.0,0.0,3.0,804.0310000000001,44.0,12.0,CC1CC(C)CC(OC)C2OC(O)(C(C)CC2OC)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)C(O)CC(=O)C(CC=C)C=1)C(C)=CC1CC(OC)C(O)CC1,2.1271047983648077,Tacrolimus
CC1CC(C)CC(OC)C2OC(O)(C(C)CC2OC)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)C(O)CC(=O)C(CC=C)C=1)C(C)=CC1CC(OC)C(O)CC1 |t:46|,134.0,1.0,0.0,3.0,804.0310000000001,44.0,12.0,CC1CC(C)CC(OC)C2OC(O)(C(C)CC2OC)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)C(O)CC(=O)C(CC=C)C=1)C(C)=CC1CC(OC)C(O)CC1 |t:46|,2.1271047983648077,
CC1CC(CC(C)(C)C1)OC(=O)C(C)(C)OC1=CC=CC=C1Cl,7500.0,4.0,1.0,1.0,338.87500000000017,19.0,3.0,CC1CC(CC(C)(C)C1)OC(=O)C(C)(C)OC1=CC=CC=C1Cl,3.8750612633917,
CC1CC(CC(C)(C)C1)OC(=O)C(C)(C)OC1C=C(C=CC=1)C(F)(F)F,7500.0,3.0,0.0,1.0,372.42700000000013,20.0,3.0,CC1CC(CC(C)(C)C1)OC(=O)C(C)(C)OC1C=C(C=CC=1)C(F)(F)F,3.8750612633917,
CC1CC(CC(C)(C)C1)OC(=O)C(C)OC1C=CC(Cl)=CC=1,7500.0,4.0,1.0,0.0,324.8480000000001,18.0,3.0,CC1CC(CC(C)(C)C1)OC(=O)C(C)OC1C=CC(Cl)=CC=1,3.8750612633917,
CC1CC(CC(C)(C)C1)OC(=O)C1C=CC=CC=1O,6251.0,4.0,2.0,0.0,262.349,16.0,3.0,CC1CC(CC(C)(C)C1)OC(=O)C1C=CC=CC=1O,3.7959494989028033,"3,3,5-Trimethylcyclohexyl salicylate"
CC1CC(CC2CC(C)C(CC2)NC(CC(=O)OCC)C(=O)OCC)CCC1NC(CC(=O)OCC)C(=O)OCC,3500.0,1.0,0.0,1.0,582.7790000000003,31.0,8.0,CC1CC(CC2CC(C)C(CC2)NC(CC(=O)OCC)C(=O)OCC)CCC1NC(CC(=O)OCC)C(=O)OCC,3.5440680443502757,CERAPP_49141
CC1CC(CC2CC(C)C(N)CC2)CCC1N,390.0,4.0,2.0,0.0,238.41899999999995,15.0,0.0,CC1CC(CC2CC(C)C(N)CC2)CCC1N,2.591064607026499,"4,4'-Methylenebis(2-methylcyclohexanamine)"
CC1CC(Cl)CCC1C(=O)OC(C)(C)C,4556.0,4.0,2.0,0.0,232.751,12.0,2.0,CC1CC(Cl)CCC1C(=O)OC(C)(C)C,3.6585837154070626,Trimedlure
CC1CC(NC(N)=O)NC(=O)N1,2751.0,3.0,2.0,0.0,172.18800000000002,6.0,2.0,CC1CC(NC(N)=O)NC(=O)N1,3.4394905903896835,"Urea, N-(hexahydro-6-methyl-2-oxo-4-pyrimidinyl)-"
CC1CC(NCC)C2C=C(SC=2S1(=O)=O)S(N)(=O)=O,1927.0,4.0,3.0,0.0,324.44900000000007,10.0,4.0,CC1CC(NCC)C2C=C(SC=2S1(=O)=O)S(N)(=O)=O,3.284881714655453,Dorzolamide
CC1CC(O)CC(C)(C)C1,2825.0,3.0,2.0,0.0,142.24199999999996,9.0,1.0,CC1CC(O)CC(C)(C)C1,3.4510184521554574,"(1R,5R)-3,3,5-trimethylcyclohexanol"
CC1CC(O)CC(C)(C)C1=O,2751.0,3.0,2.0,0.0,156.22499999999997,9.0,2.0,CC1CC(O)CC(C)(C)C1=O,3.4394905903896835,"Cyclohexanone, 4-hydroxy-2,2,6-trimethyl-, (4R,6R)-"
CC1CC(OC(=O)CC(C)C)C(CC1)C(C)C,7500.0,4.0,0.0,0.0,240.38699999999992,15.0,2.0,CC1CC(OC(=O)CC(C)C)C(CC1)C(C)C,3.8750612633917,CERAPP_26488
CC1CC(OC=C1)OCC,3400.0,2.0,2.0,0.0,142.19799999999998,8.0,2.0,CC1CC(OC=C1)OCC,3.531478917042255,
CC1CC2(N)C3C=CC(=O)N=C3CC(C=1)C2=CC,15.0,4.0,2.0,0.0,242.32199999999995,15.0,1.0,CC1CC2(N)C3C=CC(=O)N=C3CC(C=1)C2=CC,1.1760912590556813,Huperzine A
CC1CC2=C(C(O)=C(C=C2Cl)C(=O)NC(CC2C=CC=CC=2)C(O)=O)C(=O)O1,21.42,4.0,2.0,0.0,403.81800000000015,20.0,6.0,CC1CC2=C(C(O)=C(C=C2Cl)C(=O)NC(CC2C=CC=CC=2)C(O)=O)C(=O)O1,1.3308194664958368,Ochratoxin A
CC1CC2=CC(OC)=C(C=C2C(=NN=1)C1=CC=C(N)C=C1)OC,128.0,4.0,3.0,0.0,309.3690000000001,18.0,2.0,CC1CC2=CC(OC)=C(C=C2C(=NN=1)C1=CC=C(N)C=C1)OC,2.1072099696478683,Nerisopam
CC1CC2C(C(O)CC3(C)C2CCC3(O)C(=O)CO)C2(C)C=CC(=O)C=C21,3500.0,4.0,1.0,0.0,374.4770000000001,22.0,5.0,CC1CC2C(C(O)CC3(C)C2CCC3(O)C(=O)CO)C2(C)C=CC(=O)C=C21,3.5440680443502757,Methylprednisolone
CC1CC2C(C(O)CC3(C)C2CCC3(O)C(=O)COC(=O)CCC(O)=O)C2(C)C=CC(=O)C=C21,7500.0,4.0,1.0,0.0,474.5500000000003,26.0,8.0,CC1CC2C(C(O)CC3(C)C2CCC3(O)C(=O)COC(=O)CCC(O)=O)C2(C)C=CC(=O)C=C21,3.8750612633917,Methylprednisolone Hemisuccinate [USP]
CC1CC2C(CC1)C(=O)OC2=O,3500.0,4.0,2.0,0.0,168.19199999999998,9.0,3.0,CC1CC2C(CC1)C(=O)OC2=O,3.5440680443502757,"4-Methyl-1,2-cyclohexanedicarboxylic anhydride"
CC1CC2C(CC=1)C2(C)C,4800.0,3.0,2.0,0.0,136.238,10.0,0.0,CC1CC2C(CC=1)C2(C)C,3.681241237375587,3-Carene
CC1CC2C(CCC3(C)C2CCC3(OC(C)=O)C(C)=O)C2(C)CCC(=O)C=C21,6400.0,4.0,1.0,0.0,386.53200000000027,24.0,4.0,CC1CC2C(CCC3(C)C2CCC3(OC(C)=O)C(C)=O)C2(C)CCC(=O)C=C21,3.806179973983887,Medroxyprogesterone acetate
CC1CC2C3C(Cl)CC4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1(OC(=O)CC)C(=O)COC(=O)CC,3593.0,1.0,0.0,1.0,521.0500000000002,28.0,7.0,CC1CC2C3C(Cl)CC4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1(OC(=O)CC)C(=O)COC(=O)CC,3.5554572172046495,Alclometasone dipropionate
CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(OC(=O)CC)C(=O)SCF,3500.0,3.0,0.0,1.0,500.57900000000024,25.0,5.0,CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(OC(=O)CC)C(=O)SCF,3.5440680443502757,Fluticasone propionate
CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(OC(C)=O)C(=O)COC(C)=O,3000.0,3.0,1.0,0.0,494.53100000000023,26.0,7.0,CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(OC(C)=O)C(=O)COC(C)=O,3.4771212547196626,Diflorasone diacetate
CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1C(=O)COC(=O)CCCC,3100.0,4.0,0.0,0.0,478.57600000000025,27.0,5.0,CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1C(=O)COC(=O)CCCC,3.4913616938342726,Diflucortolone valerate
CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1C(=O)C(=O)OCCCC,4000.0,4.0,0.0,0.0,446.55900000000025,26.0,5.0,CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1C(=O)C(=O)OCCCC,3.6020599913279625,Fluocortin butyl
CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1C(=O)CO,245.0,4.0,2.0,0.0,376.4680000000002,22.0,4.0,CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1C(=O)CO,2.3891660843645326,Fluocortolone
CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(Cl)C(O)CC2(C)C1(OC(=O)CC)C(=O)COC(=O)CC,3750.0,1.0,0.0,1.0,521.0500000000003,28.0,7.0,CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(Cl)C(O)CC2(C)C1(OC(=O)CC)C(=O)COC(=O)CC,3.574031267727719,Beclazone
CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(=O)CC2(C)C1(OC(=O)CCC)C(=O)CCl,6000.0,4.0,0.0,0.0,478.98800000000034,26.0,5.0,CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(=O)CC2(C)C1(OC(=O)CCC)C(=O)CCl,3.7781512503836434,Clobetasone butyrate
CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO,3000.0,4.0,1.0,0.0,392.4670000000002,22.0,5.0,CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO,3.4771212547196626,Dexamethasone
CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COC(=O)C1C=CN=CC=1,3562.0,3.0,1.0,0.0,497.56300000000033,28.0,6.0,CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COC(=O)C1C=CN=CC=1,3.551693915127225,Dexamethasone isonicotinate
CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COC(=O)CCCCCCCCCCCCCCC,315.0,0.0,0.0,2.0,630.8820000000002,38.0,6.0,CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COC(=O)CCCCCCCCCCCCCCC,2.4983105537896004,Dexamethasone palmitate
CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COP(O)(O)=O,1877.0,4.0,1.0,0.0,472.44600000000025,22.0,8.0,CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COP(O)(O)=O,3.273464272621346,Betamethasone 21-phosphoric acid
CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(OC(=O)CC)C(=O)CCl,3000.0,4.0,0.0,0.0,466.97700000000026,25.0,5.0,CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(OC(=O)CC)C(=O)CCl,3.4771212547196626,Clobetasol propionate
CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(OC(=O)CC)C(=O)COC(=O)CC,4000.0,2.0,0.0,1.0,504.5950000000003,28.0,7.0,CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(OC(=O)CC)C(=O)COC(=O)CC,3.6020599913279625,Betamethasone dipropionate
CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(OC(=O)CCCC)C(=O)CO,3000.0,3.0,0.0,0.0,476.58500000000026,27.0,6.0,CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(OC(=O)CCCC)C(=O)CO,3.4771212547196626,Dexamethasone valerate
CC1CC2C=C3OCOC3=CC=2C(C1C(=O)OCCC)C(=O)OCCC,1500.0,4.0,1.0,0.0,362.4220000000002,20.0,6.0,CC1CC2C=C3OCOC3=CC=2C(C1C(=O)OCCC)C(=O)OCCC,3.1760912590556813,Propyl isome
CC1CC2C=CC=CC=2/[N+]/1=CC=C1/N(C)C2C=CC=CC=2C/1(C)C,151.0,4.0,2.0,0.0,317.4560000000001,22.0,0.0,CC1CC2C=CC=CC=2/[N+]/1=CC=C1/N(C)C2C=CC=CC=2C/1(C)C,2.1789769472931693,"1H-Indolium, 1-[2-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2,3-dihydro-2-methyl-, chloride (1:1)"
CC1CC2C=CC=CC=2N1NC(=O)C1=CC(=C(Cl)C=C1)S(N)(=O)=O,3000.0,4.0,2.0,0.0,365.842,16.0,3.0,CC1CC2C=CC=CC=2N1NC(=O)C1=CC(=C(Cl)C=C1)S(N)(=O)=O,3.4771212547196626,Indapamide
CC1CC2OC2CC1COC(=O)CCCCC(=O)OCC1CC2OC2CC1C,4290.0,4.0,1.0,0.0,394.50800000000015,22.0,6.0,CC1CC2OC2CC1COC(=O)CCCCC(=O)OCC1CC2OC2CC1C,3.6324572921847245,"Hexanedioic acid, 1,6-bis[(4-methyl-7-oxabicyclo[4.1.0]hept-3-yl)methyl] ester"
CC1CC=1,7500.0,1.0,2.0,0.0,54.092000000000006,4.0,0.0,CC1CC=1,3.8750612633917,1-Methylcyclopropene
CC1CC=C(C)C(C=CC(C)=O)C1(C)C,5000.0,4.0,1.0,0.0,206.32899999999995,14.0,1.0,CC1CC=C(C)C(C=CC(C)=O)C1(C)C,3.6989700043360187,alpha-Irone
CC1CC=C(CC=1)C(C)C,3650.0,3.0,2.0,0.0,136.23799999999997,10.0,0.0,CC1CC=C(CC=1)C(C)C,3.5622928644564746,gamma-Terpinene
CC1CC=CCC=1C(C)C,4270.0,3.0,2.0,0.0,136.23799999999997,10.0,0.0,CC1CC=CCC=1C(C)C,3.630427875025024,"o-Mentha-1,4-diene"
CC1CC=CCCCCCCCCC(=O)C1,3500.0,4.0,1.0,0.0,222.37199999999993,15.0,1.0,CC1CC=CCCCCCCCCC(=O)C1,3.5440680443502757,"5-Cyclotetradecen-1-one, 3-methyl-, (5E)-"
CC1CC=CCCCCCCCCCC(=O)C1,3500.0,4.0,1.0,1.0,236.39899999999992,16.0,1.0,CC1CC=CCCCCCCCCCC(=O)C1,3.5440680443502757,"5-Cyclopentadecen-1-one, 3-methyl-"
CC1CC=NC(=N)C=1,1500.0,1.0,2.0,0.0,108.144,6.0,0.0,CC1CC=NC(=N)C=1,3.1760912590556813,
CC1CCC(=CC=1)C(C)C,1680.0,3.0,2.0,0.0,136.238,10.0,0.0,CC1CCC(=CC=1)C(C)C,3.225309281725863,alpha-Terpinene
CC1CCC(=O)C=1CC=CCC,7500.0,4.0,2.0,0.0,164.248,11.0,1.0,CC1CCC(=O)C=1CC=CCC,3.8750612633917,Jasmone
CC1CCC(=O)C=1CCCCC,2500.0,4.0,2.0,0.0,166.26399999999998,11.0,1.0,CC1CCC(=O)C=1CCCCC,3.3979400086720375,Dihydrojasmone
CC1CCC(=O)CC1,800.0,2.0,2.0,0.0,112.172,7.0,1.0,CC1CCC(=O)CC1,2.9030899869919438,"Cyclohexanone, 4-methyl-"
CC1CCC(=O)O1,8800.0,1.0,2.0,0.0,100.117,5.0,2.0,CC1CCC(=O)O1,3.9444826721501687,4-Pentanolide
CC1CCC(C(C)C)C(=O)C=1,2450.0,3.0,2.0,0.0,152.23699999999997,10.0,1.0,CC1CCC(C(C)C)C(=O)C=1,3.3891660843645326,Piperitone
CC1CCC(C(O)C1)C(C)=C,936.0,3.0,2.0,0.0,154.253,10.0,1.0,CC1CCC(C(O)C1)C(C)=C,2.971275848738105,5-Methyl-2-(prop-1-en-2-yl)cyclohexanol
CC1CCC(CC1)C(C)(C)O,7500.0,3.0,2.0,0.0,156.26899999999995,10.0,1.0,CC1CCC(CC1)C(C)(C)O,3.8750612633917,Dihydro-alpha-terpineol
CC1CCC(CC1O)C(C)=C,7500.0,3.0,2.0,0.0,154.253,10.0,1.0,CC1CCC(CC1O)C(C)=C,3.8750612633917,"Cyclohexanol, 2-methyl-5-(1-methylethenyl)-"
CC1CCC(CC1OC(C)=O)C(C)=C,7500.0,4.0,2.0,0.0,196.28999999999996,12.0,2.0,CC1CCC(CC1OC(C)=O)C(C)=C,3.8750612633917,
CC1CCC(CC=1)C(C)(C)O,5170.0,3.0,2.0,0.0,154.25299999999996,10.0,1.0,CC1CCC(CC=1)C(C)(C)O,3.7134905430939424,alpha-Terpineol
CC1CCC(CC=1)C(C)(C)OC(=O)C(C)C,7500.0,4.0,0.0,0.0,224.34399999999997,14.0,2.0,CC1CCC(CC=1)C(C)(C)OC(=O)C(C)C,3.8750612633917,"Propanoic acid, 2-methyl-, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester"
CC1CCC(CC=1)C(C)(C)OP(=S)(OC)OC,250.0,4.0,1.0,0.0,278.35400000000004,12.0,3.0,CC1CCC(CC=1)C(C)(C)OP(=S)(OC)OC,2.3979400086720375,
CC1CCC(CC=1)C(C)=C,4700.0,3.0,2.0,0.0,136.23799999999997,10.0,0.0,CC1CCC(CC=1)C(C)=C,3.6720978579357175,D-Limonene
CC1CCC(CN1)CC,540.0,3.0,2.0,0.0,127.231,8.0,0.0,CC1CCC(CN1)CC,2.7323937598229686,CERAPP_51571
CC1CCC(CO)CC1,884.0,2.0,2.0,0.0,128.21499999999995,8.0,1.0,CC1CCC(CO)CC1,2.946452265013073,4-Methylcyclohexanemethanol
CC1CCC(NC2C=C(C(N)=C3C=2C(=O)C2=CC=CC=C2C3=O)S(O)(=O)=O)C(C)(C)C1,9476.0,4.0,0.0,0.0,442.5370000000002,23.0,5.0,CC1CCC(NC2C=C(C(N)=C3C=2C(=O)C2=CC=CC=C2C3=O)S(O)(=O)=O)C(C)(C)C1,3.9766250520507276,"2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-[(2,2,4-trimethylcyclohexyl)amino]-, sodium salt (1:1)"
CC1CCC2C(C=1)C1=C(O)C=C(CCCCC)C=C1OC2(C)C,765.0,3.0,1.0,1.0,314.46900000000005,21.0,2.0,CC1CCC2C(C=1)C1=C(O)C=C(CCCCC)C=C1OC2(C)C,2.8836614351536176,1-trans-delta-9-Tetrahydrocannabinol
CC1CCCC(=O)CCCC=CC2C=C(O)C=C(O)C=2C(=O)O1,10001.0,4.0,2.0,0.0,318.3690000000001,18.0,5.0,CC1CCCC(=O)CCCC=CC2C=C(O)C=C(O)C=2C(=O)O1,4.000043427276863,Zearalenone
CC1CCCC(C)(C)C1C(=O)OCC,3500.0,4.0,2.0,0.0,198.30599999999993,12.0,2.0,CC1CCCC(C)(C)C1C(=O)OCC,3.5440680443502757,"Ethyl (1R,6S)-2,2,6-trimethylcyclohexanecarboxylate"
CC1CCCC(C)(C)C=1C(=C)C=CC,2920.0,4.0,1.0,0.0,190.32999999999996,14.0,0.0,CC1CCCC(C)(C)C=1C(=C)C=CC,3.4653828514484184,(E)-beta-Damascone
CC1CCCC(C)(C)C=1C=CC(=O)CC,3500.0,4.0,1.0,0.0,206.32899999999992,14.0,1.0,CC1CCCC(C)(C)C=1C=CC(=O)CC,3.5440680443502757,"1-(2,6,6-Trimethyl-1-cyclohexen-1-yl)pent-1-en-3-one"
CC1CCCC(C)(C)C=1C=CC(C)=CC=CC(C)=CC(O)=O,4000.0,3.0,1.0,1.0,300.44200000000006,20.0,2.0,CC1CCCC(C)(C)C=1C=CC(C)=CC=CC(C)=CC(O)=O,3.6020599913279625,13-cis Retinoic acid
CC1CCCC(C)(C)C=1C=CC(C)=CC=CC(C)=CCO,3500.0,4.0,1.0,1.0,286.45900000000006,20.0,1.0,CC1CCCC(C)(C)C=1C=CC(C)=CC=CC(C)=CCO,3.5440680443502757,Retinol
CC1CCCC(C)(C)C=1C=CC(C)=CC=CC(C)=CCOC(C)=O,9560.0,3.0,1.0,1.0,328.4960000000002,22.0,2.0,CC1CCCC(C)(C)C=1C=CC(C)=CC=CC(C)=CCOC(C)=O,3.9804578922761,Retinol acetate
CC1CCCC(C)(C)C=1CCC(C)=O,3500.0,4.0,1.0,0.0,194.31799999999996,13.0,1.0,CC1CCCC(C)(C)C=1CCC(C)=O,3.5440680443502757,Dihydro-beta-ionone
CC1CCCC(C)N1CCCC(O)(C1=CC=CC=N1)C1C=CC=CC=1,251.0,4.0,1.0,0.0,338.49500000000006,22.0,1.0,CC1CCCC(C)N1CCCC(O)(C1=CC=CC=N1)C1C=CC=CC=1,2.399673721481038,Pirmenol hydrochloride
CC1CCCC1,10001.0,1.0,2.0,0.0,84.162,6.0,0.0,CC1CCCC1,4.000043427276863,Methylcyclopentane
CC1CCCC2(C)C(OC(=O)C2=1)C1C=COC=1,274.0,4.0,2.0,0.0,232.2789999999999,14.0,3.0,CC1CCCC2(C)C(OC(=O)C2=1)C1C=COC=1,2.437750562820388,
CC1CCCC2N1C(=O)C(=CN2C(=O)C1C=CC=CC=1)C(=O)OCC,1644.0,4.0,3.0,0.0,342.39500000000015,19.0,4.0,CC1CCCC2N1C(=O)C(=CN2C(=O)C1C=CC=CC=1)C(=O)OCC,3.215901813204032,
CC1CCCC2N1C(=O)C(=C[N+]=2C)C(=N)[O-],600.0,3.0,2.0,0.0,221.26,11.0,2.0,CC1CCCC2N1C(=O)C(=C[N+]=2C)C(=N)[O-],2.7781512503836434,
CC1CCCCC1,3200.0,2.0,2.0,0.0,98.189,7.0,0.0,CC1CCCCC1,3.505149978319906,Methylcyclohexane
CC1CCCCC1NC(=O)NC1=CC=CC=C1,5938.0,4.0,2.0,0.0,232.32700000000003,14.0,1.0,CC1CCCCC1NC(=O)NC1=CC=CC=C1,3.7736401932600256,Siduron
CC1CCCCN1C(=O)CSP(=S)(OCCC)OCCC,324.0,4.0,0.0,0.0,353.4900000000001,14.0,3.0,CC1CCCCN1C(=O)CSP(=S)(OCCC)OCCC,2.510545010206612,Piperophos
CC1CCCCN1CCCOC(=O)C1=CC(Cl)=C(Cl)C=C1,1265.0,4.0,2.0,0.0,330.255,16.0,2.0,CC1CCCCN1CCCOC(=O)C1=CC(Cl)=C(Cl)C=C1,3.1020905255118367,Piperalin
CC1CCCCN1N=O,600.0,2.0,2.0,0.0,128.175,6.0,1.0,CC1CCCCN1N=O,2.7781512503836434,S(+)-2-Methyl-N-nitrosopiperidine
CC1CCCO1,725.0,1.0,2.0,0.0,86.134,5.0,1.0,CC1CCCO1,2.8603380065709936,2-Methyltetrahydrofuran
CC1CCOC(C1)C=C(C)C,4300.0,3.0,2.0,0.0,154.253,10.0,1.0,CC1CCOC(C1)C=C(C)C,3.6334684555795866,4-Methyl-2-(2-methylprop-1-en-1-yl)tetrahydro-2H-pyran
CC1CCOC(CN2C=NC=N2)(O1)C1=CC2=CC=CC=C2O1,1000.0,4.0,3.0,0.0,299.3300000000001,16.0,3.0,CC1CCOC(CN2C=NC=N2)(O1)C1=CC2=CC=CC=C2O1,3.0,"1H-1,2,4-Triazole, 1-(2-(2-benzofuranyl)-4-methyl-1,3-dioxan-2-yl)methyl)-, cis-"
CC1CN(CC(C)N1)C1=C(F)C2=C(C(N)=C1F)C(=O)C(=CN2C1CC1)C(O)=O,7500.0,4.0,2.0,0.0,392.4060000000002,19.0,3.0,CC1CN(CC(C)N1)C1=C(F)C2=C(C(N)=C1F)C(=O)C(=CN2C1CC1)C(O)=O,3.8750612633917,Sparfloxacin
CC1CN(CC(C)N1)CCCN1C2C=CC=CC=2C2C=CC=CC1=2,907.0,4.0,2.0,0.0,321.46800000000013,21.0,0.0,CC1CN(CC(C)N1)CCCN1C2C=CC=CC=2C2C=CC=CC1=2,2.957607287060095,Rimcazole
CC1CN(CC(C)O1)C1CCCCCCCCCCC1,3036.25,4.0,2.0,0.0,281.4839999999999,18.0,1.0,CC1CN(CC(C)O1)C1CCCCCCCCCCC1,3.482337527813187,Dodemorph
CC1CN(CCC1(C(O)=O)C1=CC=CC=C1)C1CCC(CC1)(C#N)C1=CC=C(F)C=C1,2560.0,4.0,1.0,0.0,420.5280000000002,26.0,2.0,CC1CN(CCC1(C(O)=O)C1=CC=CC=C1)C1CCC(CC1)(C#N)C1=CC=C(F)C=C1,3.4082399653118496,Levocabastine hydrochloride
CC1CN(CCO)CC1C,1230.0,3.0,2.0,0.0,143.23,8.0,1.0,CC1CN(CCO)CC1C,3.089905111439398,
CC1CN(N=CC2C=CC=NC=2)C(=O)N=N1,5853.75,4.0,2.0,0.0,217.232,10.0,1.0,CC1CN(N=CC2C=CC=NC=2)C(=O)N=N1,3.7674341707901364,Pymetrozine
CC1CN(NC1=O)C1C=CC=CC=1,627.0,4.0,2.0,0.0,176.21899999999997,10.0,1.0,CC1CN(NC1=O)C1C=CC=CC=1,2.7972675408307164,4-Methyl-1-phenylpyrazolidin-3-one
CC1CN1,19.0,1.0,2.0,0.0,57.096,3.0,0.0,CC1CN1,1.2787536009528289,Propyleneimine
CC1CN1C(=O)C1C=C(C=CC=1)C(=O)N1CC1C,1230.0,4.0,2.0,0.0,244.29399999999995,14.0,2.0,CC1CN1C(=O)C1C=C(C=CC=1)C(=O)N1CC1C,3.089905111439398,"1,1'-(1,3-Phenylenedicarbonyl)bis[2-methylaziridine]"
CC1CN1P(=O)(N1CC1C)N1CC1C,136.0,4.0,2.0,0.0,215.237,9.0,1.0,CC1CN1P(=O)(N1CC1C)N1CC1C,2.1335389083702174,Metepa
CC1CN2C(CC1)C(C)C1C2CC2C3CC=C4CC(CCC4(C)C3CCC21C)OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O,590.0,1.0,1.0,3.0,868.0709999999999,45.0,15.0,CC1CN2C(CC1)C(C)C1C2CC2C3CC=C4CC(CCC4(C)C3CCC21C)OC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O,2.7708520116421442,alpha-Solanine
CC1CN2CC(=O)NC3C=CC(Cl)=CC=3C2(O1)C1C=CC=CC=1,4000.0,4.0,3.0,0.0,328.79900000000004,18.0,2.0,CC1CN2CC(=O)NC3C=CC(Cl)=CC=3C2(O1)C1C=CC=CC=1,3.6020599913279625,Oxazolam
CC1CN=C(C(OCC)C2C=CC=CC=2)N(C1)CCCC,875.0,4.0,1.0,0.0,288.43499999999995,18.0,1.0,CC1CN=C(C(OCC)C2C=CC=CC=2)N(C1)CCCC,2.942008053022313,
CC1CN=C(N1)C(OCC)C1C=CC=CC=1,1000.0,4.0,2.0,0.0,218.30000000000004,13.0,1.0,CC1CN=C(N1)C(OCC)C1C=CC=CC=1,3.0,
CC1CNC(=O)C(CC)(CC)C1=O,860.0,4.0,2.0,0.0,183.251,10.0,2.0,CC1CNC(=O)C(CC)(CC)C1=O,2.934498451243568,Methyprylon
CC1CNC(C)CN1,3160.0,2.0,2.0,0.0,114.192,6.0,0.0,CC1CNC(C)CN1,3.499687082618404,CERAPP_26688
CC1CNCC(C)O1,2380.0,2.0,2.0,0.0,115.176,6.0,1.0,CC1CNCC(C)O1,3.376576957056512,"2,6-Dimethyl morpholine"
CC1CNCCN1,2030.0,0.0,2.0,0.0,100.165,5.0,0.0,CC1CNCCN1,3.307496037913213,2-Methylpiperazine
CC1CNCCN1SC=S,3500.0,4.0,2.0,0.0,176.31000000000003,6.0,0.0,CC1CNCCN1SC=S,3.5440680443502757,
CC1CO1,520.0,1.0,2.0,0.0,58.08,3.0,1.0,CC1CO1,2.716003343634799,"1,2-Propylene oxide"
CC1COC(C=C)O1,890.0,1.0,2.0,0.0,114.144,6.0,2.0,CC1COC(C=C)O1,2.949390006644913,
CC1COC(CN2C=NC=C2)(O1)C1=CC2=CC(Cl)=CC(Cl)=C2O1,1000.0,4.0,1.0,0.0,353.2050000000001,16.0,3.0,CC1COC(CN2C=NC=C2)(O1)C1=CC2=CC(Cl)=CC(Cl)=C2O1,3.0,"1H-Imidazole, 1-((2-(5,7-dichloro-2-benzofuranyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-, trans-"
CC1COC(CN2C=NC=N2)(O1)C1=CC2=CC(Cl)=CC=C2O1,1000.0,4.0,3.0,0.0,319.7480000000001,15.0,3.0,CC1COC(CN2C=NC=N2)(O1)C1=CC2=CC(Cl)=CC=C2O1,3.0,
CC1COC(CN2C=NC=N2)(O1)C1C=CC(=CC=1Cl)OC1C=CC(Cl)=CC=1,1453.0,4.0,1.0,0.0,406.2690000000001,19.0,3.0,CC1COC(CN2C=NC=N2)(O1)C1C=CC(=CC=1Cl)OC1C=CC(Cl)=CC=1,3.1622656142980214,Difenoconazole
CC1COC(O1)C(Cl)CCl,620.0,4.0,2.0,0.0,185.05,6.0,2.0,CC1COC(O1)C(Cl)CCl,2.792391689498254,
CC1COC(O1)C1C=CC=CC=1,3000.0,4.0,2.0,0.0,164.20399999999998,10.0,2.0,CC1COC(O1)C1C=CC=CC=1,3.4771212547196626,CERAPP_30310
CC1COC2(C3=CC(Cl)=CC=C3NC(=O)CN21)C1=CC=CC=C1Cl,4500.0,4.0,1.0,0.0,363.2440000000001,18.0,2.0,CC1COC2(C3=CC(Cl)=CC=C3NC(=O)CN21)C1=CC=CC=C1Cl,3.6532125137753435,Mexazolam
CC1COC2(CC1)OC1C(C2C)C2(C)CCC3C(CCC4CC(OC5OC(CO)C(OC6OC(CO)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)C5O)C(O)CC43C)C2C1O,50.0,0.0,1.0,3.0,1229.3230000000008,56.0,29.0,CC1COC2(CC1)OC1C(C2C)C2(C)CCC3C(CCC4CC(OC5OC(CO)C(OC6OC(CO)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)C5O)C(O)CC43C)C2C1O,1.6989700043360187,Digitonin
CC1COC2=C3C(=CC(F)=C2N2CC(N)C4(C2)CCC4)C(=O)C(=CN31)C(O)=O,3500.0,4.0,2.0,0.0,387.41100000000006,20.0,4.0,CC1COC2=C3C(=CC(F)=C2N2CC(N)C4(C2)CCC4)C(=O)C(=CN31)C(O)=O,3.5440680443502757,DV 7751a
CC1COC2C=CC=CC=2N1C(=O)C(Cl)Cl,6251.0,4.0,3.0,0.0,260.12,11.0,2.0,CC1COC2C=CC=CC=2N1C(=O)C(Cl)Cl,3.7959494989028033,Benoxacor
CC1COCC(C)N1C(=O)C[N+]1C=CC(=CC=1)C1C=C[N+](CC(=O)N2C(C)COCC2C)=CC=1,345.0,4.0,1.0,0.0,468.5980000000003,26.0,4.0,CC1COCC(C)N1C(=O)C[N+]1C=CC(=CC=1)C1C=C[N+](CC(=O)N2C(C)COCC2C)=CC=1,2.537819095073274,
CC1COCC(CCCC)C1OC(C)=O,7500.0,4.0,2.0,0.0,214.305,12.0,3.0,CC1COCC(CCCC)C1OC(C)=O,3.8750612633917,"3-O-Acetyl-1,5-anhydro-2-butyl-2,4-dideoxy-4-methylpentitol"
CC1CON2C(=O)C3C=CC=CC=3N=C21,765.0,4.0,2.0,0.0,202.213,11.0,2.0,CC1CON2C(=O)C3C=CC=CC=3N=C21,2.8836614351536176,"9H-Isoxazolo[3,2-b]quinazolin-9-one, 2,3-dihydro-3-methyl-"
CC1CS(=O)(=O)CCN1N=CC1=CC=C(O1)[N+]([O-])=O,4050.0,4.0,3.0,0.0,287.297,10.0,5.0,CC1CS(=O)(=O)CCN1N=CC1=CC=C(O1)[N+]([O-])=O,3.6074550232146687,Nifurtimox
CC1CS1,254.0,1.0,2.0,0.0,74.148,3.0,0.0,CC1CS1,2.404833716619938,CERAPP_55765
CC1CSC(=NP(=O)(OCC)OCC)S1,8.95,4.0,2.0,0.0,269.328,8.0,3.0,CC1CSC(=NP(=O)(OCC)OCC)S1,0.951823035315912,Mephosfolan
CC1CSC(C)(C=NOC(=O)NC)S1,1.0,4.0,2.0,0.0,234.346,8.0,2.0,CC1CSC(C)(C=NOC(=O)NC)S1,0.0,Tirpate
CC1CSC(CS1)=NOC(=O)NC,5.1,4.0,2.0,0.0,220.319,7.0,2.0,CC1CSC(CS1)=NOC(=O)NC,0.7075701760979364,
CC1CSC2C(NC(=O)C(=NOC)C3=CSC(N)=N3)C(=O)N2C=1C(=O)OCOC(=O)C(C)(C)C,3500.0,3.0,1.0,3.0,511.5820000000002,20.0,7.0,CC1CSC2C(NC(=O)C(=NOC)C3=CSC(N)=N3)C(=O)N2C=1C(=O)OCOC(=O)C(C)(C)C,3.5440680443502757,Cefetamet pivoxil HCl
CC1CSC2C(NC(=O)C(N)C3C=CC(O)=CC=3)C(=O)N2C=1C(O)=O,10000.0,4.0,2.0,0.0,363.3950000000001,16.0,5.0,CC1CSC2C(NC(=O)C(N)C3C=CC(O)=CC=3)C(=O)N2C=1C(O)=O,4.0,Cefadroxil
CC1CSC2C(NC(=O)C(N)C3C=CC=CC=3)C(=O)N2C=1C(=O)OCOC(=O)C(C)(C)C,4000.0,4.0,1.0,0.0,461.54000000000013,22.0,6.0,CC1CSC2C(NC(=O)C(N)C3C=CC=CC=3)C(=O)N2C=1C(=O)OCOC(=O)C(C)(C)C,3.6020599913279625,Pivcephalexin
CC1CSC2C(NC(=O)C(N)C3C=CC=CC=3)C(=O)N2C=1C(O)=O,10001.0,4.0,3.0,0.0,347.3960000000001,16.0,4.0,CC1CSC2C(NC(=O)C(N)C3C=CC=CC=3)C(=O)N2C=1C(O)=O,4.000043427276863,Cephalexin
CC1CSC2C(NC(=O)C(N)C3CC=CCC=3)C(=O)N2C=1C(O)=O,10001.0,4.0,3.0,0.0,349.4120000000001,16.0,4.0,CC1CSC2C(NC(=O)C(N)C3CC=CCC=3)C(=O)N2C=1C(O)=O,4.000043427276863,Cephradine
CC1N=C(C)C(C(C=1C(=O)OC)C1=CC=CC=C1OC(F)F)C(=O)OC,6320.0,4.0,1.0,0.0,367.348,18.0,5.0,CC1N=C(C)C(C(C=1C(=O)OC)C1=CC=CC=C1OC(F)F)C(=O)OC,3.800717078282385,Riodipine
CC1N=C(C)C(C)=NC=1C,1910.0,3.0,2.0,0.0,136.19799999999998,8.0,0.0,CC1N=C(C)C(C)=NC=1C,3.2810333672477277,Tetramethylpyrazine
CC1N=C(C2C(Br)=C(C=CC=2N(C)C1=O)N/C(/O)=N/CCO)C1=CC=CC=C1F,7500.0,4.0,2.0,0.0,463.3070000000002,20.0,3.0,CC1N=C(C2C(Br)=C(C=CC=2N(C)C1=O)N/C(/O)=N/CCO)C1=CC=CC=C1F,3.8750612633917,
CC1N=C(C=C(NC(=O)C(=O)OCC)N=1)OCCOC,1600.0,4.0,2.0,0.0,283.284,12.0,5.0,CC1N=C(C=C(NC(=O)C(=O)OCC)N=1)OCCOC,3.2041199826559246,"Acetic acid, ((6-(2-methoxyethoxy)-2-methyl-4-pyrimidinyl)amino)oxo-, ethyl ester"
CC1N=C(C=C(NC(=O)C(=O)OCC)N=1)SCCOC,1600.0,4.0,2.0,0.0,299.35200000000003,12.0,4.0,CC1N=C(C=C(NC(=O)C(=O)OCC)N=1)SCCOC,3.2041199826559246,"Acetic acid, ((6-((2-methoxyethyl)thio)-2-methyl-4-pyrimidinyl)amino)oxo-, ethyl ester"
CC1N=C(CCC)N2NC(=NC(=O)C2=1)C1=CC(=CC=C1OCC)S(=O)(=O)N1CCN(CC1)CC,2500.0,3.0,1.0,0.0,488.6140000000004,23.0,4.0,CC1N=C(CCC)N2NC(=NC(=O)C2=1)C1=CC(=CC=C1OCC)S(=O)(=O)N1CCN(CC1)CC,3.3979400086720375,Vardenafil citrate
CC1N=C(N)C(COCC)=CN=1,1450.0,4.0,2.0,0.0,167.212,8.0,1.0,CC1N=C(N)C(COCC)=CN=1,3.161368002234975,"Pyrimidine, 4-amino-5-(ethoxymethyl)-2-methyl-"
CC1N=C(N)C(C[N+]2=CSC(CCO)=C2C)=CN=1,3710.0,4.0,2.0,0.0,265.36199999999997,12.0,1.0,CC1N=C(N)C(C[N+]2=CSC(CCO)=C2C)=CN=1,3.569373909615046,Thiamine nitrate
CC1N=C(N/C(/N=1)=N/C(/O)=N/S(=O)(=O)C1=CC=CC=C1C(O)=O)OC,7500.0,4.0,2.0,0.0,367.3430000000001,13.0,6.0,CC1N=C(N/C(/N=1)=N/C(/O)=N/S(=O)(=O)C1=CC=CC=C1C(O)=O)OC,3.8750612633917,Metsulfuron
CC1N=C(N=C(N=1)N(C)C(=O)NS(=O)(=O)C1=CC=CC=C1C(=O)OC)OC,7500.0,4.0,1.0,0.0,395.39700000000016,15.0,6.0,CC1N=C(N=C(N=1)N(C)C(=O)NS(=O)(=O)C1=CC=CC=C1C(=O)OC)OC,3.8750612633917,Tribenuron-methyl
CC1N=C(N=C(NC(=O)NS(=O)(=O)C2C=C(I)C=CC=2C(=O)OC)N=1)OC,2678.0,3.0,1.0,1.0,507.26600000000025,14.0,6.0,CC1N=C(N=C(NC(=O)NS(=O)(=O)C2C=C(I)C=CC=2C(=O)OC)N=1)OC,3.42781057267599,Iodosulfuron-methyl
CC1N=C(N=C(NC(=O)NS(=O)(=O)C2C=CC=CC=2CCC(F)(F)F)N=1)OC,986.0,4.0,1.0,0.0,419.3850000000001,15.0,4.0,CC1N=C(N=C(NC(=O)NS(=O)(=O)C2C=CC=CC=2CCC(F)(F)F)N=1)OC,2.993876914941211,Prosulfuron
CC1N=C(N=C(NC(=O)NS(=O)(=O)C2C=CC=CC=2Cl)N=1)OC,5919.0,4.0,2.0,0.0,357.77900000000005,12.0,4.0,CC1N=C(N=C(NC(=O)NS(=O)(=O)C2C=CC=CC=2Cl)N=1)OC,3.7722483399718536,Chlorsulfuron
CC1N=C(N=C(NC(=O)NS(=O)(=O)C2C=CC=CC=2OCCCl)N=1)OC,5650.0,4.0,1.0,0.0,401.83200000000016,14.0,5.0,CC1N=C(N=C(NC(=O)NS(=O)(=O)C2C=CC=CC=2OCCCl)N=1)OC,3.7520484478194387,Triasulfuron
CC1N=C(NC(=N)N=1)N1N=CCC1C,3200.0,4.0,2.0,0.0,192.22600000000003,8.0,0.0,CC1N=C(NC(=N)N=1)N1N=CCC1C,3.505149978319906,
CC1N=C(NC(=O)NS(=O)(=O)C2C=CC=CC=2C(=O)OC)N=C(N=1)OC,7500.0,4.0,1.0,0.0,381.3700000000001,14.0,6.0,CC1N=C(NC(=O)NS(=O)(=O)C2C=CC=CC=2C(=O)OC)N=C(N=1)OC,3.8750612633917,Metsulfuron-methyl
CC1N=C(NC(=O)NS(=O)(=O)C2C=CSC=2C(=O)OC)N=C(N=1)OC,7500.0,4.0,1.0,0.0,387.39900000000017,12.0,6.0,CC1N=C(NC(=O)NS(=O)(=O)C2C=CSC=2C(=O)OC)N=C(N=1)OC,3.8750612633917,Thifensulfuron-methyl
CC1N=C(NC)N=C(N=1)OC,394.0,3.0,2.0,0.0,154.173,6.0,1.0,CC1N=C(NC)N=C(N=1)OC,2.595496221825574,"1,3,5-Triazin-2-amine, 4-methoxy-N,6-dimethyl-"
CC1N=C(NCC2C=CC=CC=2)C2C=CNC=2N=1,80.0,4.0,2.0,0.0,238.294,14.0,0.0,CC1N=C(NCC2C=CC=CC=2)C2C=CNC=2N=1,1.9030899869919435,Rolodine
CC1N=C(SC=1C(=O)NC1C=CC=CC=1)N1CCOCC1,800.0,4.0,3.0,0.0,303.387,15.0,2.0,CC1N=C(SC=1C(=O)NC1C=CC=CC=1)N1CCOCC1,2.9030899869919438,"5-Thiazolecarboxamide, 4-methyl-2-(4-morpholinyl)-N-phenyl-"
CC1N=C(SC=1C(=O)NCCC)C1=CC(OC)=C(C=C1)OC,8000.0,4.0,2.0,0.0,320.41400000000004,16.0,3.0,CC1N=C(SC=1C(=O)NCCC)C1=CC(OC)=C(C=C1)OC,3.9030899869919438,"5-Thiazolecarboxamide, 2-(3,4-dimethoxyphenyl)-4-methyl-N-propyl-"
CC1N=C(SC=1C(N)=O)C1C=CC(=CC=1)OC,8000.0,4.0,2.0,0.0,248.307,12.0,2.0,CC1N=C(SC=1C(N)=O)C1C=CC(=CC=1)OC,3.9030899869919438,"5-Thiazolecarboxamide, 2-(4-methoxyphenyl)-4-methyl-"
CC1N=C2C(O)CCCN2C(=O)C=1CCN1CCC(CC1)C1=NOC2=CC(F)=CC=C21,65.0,4.0,2.0,0.0,426.49200000000025,23.0,3.0,CC1N=C2C(O)CCCN2C(=O)C=1CCN1CCC(CC1)C1=NOC2=CC(F)=CC=C21,1.8129133566428555,Paliperidone
CC1N=C2C=CC(Cl)=CN2C(=O)C=1CC,1100.0,4.0,2.0,0.0,222.675,11.0,1.0,CC1N=C2C=CC(Cl)=CN2C(=O)C=1CC,3.041392685158225,"4H-Pyrido(1,2-a)pyrimidin-4-one, 7-chloro-3-ethyl-2-methyl-, monohydrochloride"
CC1N=C2C=CC=CN2C(=O)C=1CCCl,1150.0,4.0,2.0,0.0,222.67499999999993,11.0,1.0,CC1N=C2C=CC=CN2C(=O)C=1CCCl,3.060697840353612,"3-(2-Chloroethyl)-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one"
CC1N=C2CCCCN2C(=O)C=1CCN1CCC(CC1)C1=NOC2C=C(F)C=CC=21,56.6,4.0,1.0,0.0,410.4930000000003,23.0,2.0,CC1N=C2CCCCN2C(=O)C=1CCN1CCC(CC1)C1=NOC2C=C(F)C=CC=21,1.7528164311882715,Risperidone
CC1N=CC(CN(C=O)C(C)=C(CCO)SSCC2CCCO2)=C(N)N=1,2200.0,4.0,1.0,0.0,398.55400000000014,17.0,3.0,CC1N=CC(CN(C=O)C(C)=C(CCO)SSCC2CCCO2)=C(N)N=1,3.342422680822206,Fursultiamine hydrochloride
CC1N=CC(CN(C=O)C(C)=C2CCOC(=O)S2)=C(N)N=1,7604.0,4.0,3.0,0.0,308.36300000000006,13.0,3.0,CC1N=CC(CN(C=O)C(C)=C2CCOC(=O)S2)=C(N)N=1,3.8810421081934057,Cycotiamine
CC1N=CC(CO)=C(C=O)C=1O,2150.0,4.0,2.0,0.0,167.164,8.0,3.0,CC1N=CC(CO)=C(C=O)C=1O,3.3324384599156054,Pyridoxal
CC1N=CC(CO)=C(CN)C=1O,7500.0,4.0,2.0,0.0,168.19599999999997,8.0,2.0,CC1N=CC(CO)=C(CN)C=1O,3.8750612633917,Pyridoxamine
CC1N=CC(CO)=C(CNC2C=CC(=CC=2)C(=O)OCCN(CC)CC)C=1O,5900.0,4.0,1.0,0.0,387.48000000000013,21.0,4.0,CC1N=CC(CO)=C(CNC2C=CC(=CC=2)C(=O)OCCN(CC)CC)C=1O,3.7708520116421442,
CC1N=CC(CO)=C(CO)C=1O,4000.0,4.0,2.0,0.0,169.18,8.0,3.0,CC1N=CC(CO)=C(CO)C=1O,3.6020599913279625,Pyridoxine
CC1N=CC(COP(O)(O)=O)=C(C=O)C=1O,5900.0,4.0,1.0,0.0,247.143,8.0,6.0,CC1N=CC(COP(O)(O)=O)=C(C=O)C=1O,3.7708520116421442,Pyridoxal phosphate hydrate
CC1N=CC(COP(O)(O)=O)=C(CN)C=1O,7500.0,4.0,1.0,0.0,248.175,8.0,5.0,CC1N=CC(COP(O)(O)=O)=C(CN)C=1O,3.8750612633917,Pyridoxamine phosphate
CC1N=CC(CS(C)=O)=C(CO)C=1O,7500.0,4.0,2.0,0.0,215.27399999999997,9.0,3.0,CC1N=CC(CS(C)=O)=C(CO)C=1O,3.8750612633917,
CC1N=CC(CSSCC2C=NC(C)=C(O)C=2CO)=C(CO)C=1O,5000.0,4.0,1.0,0.0,368.48000000000013,16.0,4.0,CC1N=CC(CSSCC2C=NC(C)=C(O)C=2CO)=C(CO)C=1O,3.6989700043360187,Pyrithioxin dihydrochloride
CC1N=CC=NC=1C,613.0,1.0,2.0,0.0,108.144,6.0,0.0,CC1N=CC=NC=1C,2.787460474518415,"Pyrazine, 2,3-dimethyl-"
CC1N=COC=1C(=O)OCC,2751.0,2.0,2.0,0.0,155.15299999999996,7.0,3.0,CC1N=COC=1C(=O)OCC,3.4394905903896835,Ethyl 4-methyloxazole-5-carboxylate
CC1N=COC=1C(N)=O,2751.0,1.0,2.0,0.0,126.115,5.0,2.0,CC1N=COC=1C(N)=O,3.4394905903896835,4-Methyloxazole-5-carboxamide
CC1N=CSC=1C=CC1CSC2C(NC(=O)C(=NOC)C3=CSC(N)=N3)C(=O)N2C=1C(=O)OCOC(=O)C(C)(C)C,5100.0,2.0,1.0,3.0,620.735,25.0,7.0,CC1N=CSC=1C=CC1CSC2C(NC(=O)C(=NOC)C3=CSC(N)=N3)C(=O)N2C=1C(=O)OCOC(=O)C(C)(C)C,3.7075701760979363,Cefditorin pivoxil
CC1NC(=N)C(C(C=1C(=O)OC(C)C)C1C=C(C=CC=1)[N+]([O-])=O)C(=O)OC1CN(C1)C(C1C=CC=CC=1)C1C=CC=CC=1,1267.0,1.0,0.0,2.0,582.6570000000002,33.0,6.0,CC1NC(=N)C(C(C=1C(=O)OC(C)C)C1C=C(C=CC=1)[N+]([O-])=O)C(=O)OC1CN(C1)C(C1C=CC=CC=1)C1C=CC=CC=1,3.1027766148834415,Azelnidipine
CC1NC(C)N(CCN2C(C)NC(C)SC2=S)C(=S)S1,7500.0,4.0,2.0,0.0,350.6040000000001,12.0,0.0,CC1NC(C)N(CCN2C(C)NC(C)SC2=S)C(=S)S1,3.8750612633917,Milneb
CC1NC(COCCN)=C(C(C=1C(=O)OC)C1=CC=CC=C1Cl)C(=O)OCC,393.0,4.0,1.0,0.0,408.88200000000006,20.0,5.0,CC1NC(COCCN)=C(C(C=1C(=O)OC)C1=CC=CC=C1Cl)C(=O)OCC,2.5943925503754266,Amlodipine besylate
CC1NC2=C(N=1)N(CC(C)C)C(=O)N(CCC)C2=O,19.0,4.0,2.0,0.0,264.32899999999995,13.0,2.0,CC1NC2=C(N=1)N(CC(C)C)C(=O)N(CCC)C2=O,1.2787536009528289,"1H-Purine-2,6-dione, 3,7-dihydro-8-methyl-3-(2-methylpropyl)-1-propyl-"
CC1NC2=C(N=1)N(CCCC)C(=O)N(CCC)C2=O,15.0,4.0,2.0,0.0,264.329,13.0,2.0,CC1NC2=C(N=1)N(CCCC)C(=O)N(CCC)C2=O,1.1760912590556813,"1H-Purine-2,6-dione, 3,7-dihydro-3-butyl-8-methyl-1-propyl-"
CC1NC2=CC(OC)=C(C=C2C=1CCN1CCN(CC1)C1C=CC=CC=1)OC,1000.0,4.0,0.0,0.0,379.50400000000013,23.0,2.0,CC1NC2=CC(OC)=C(C=C2C=1CCN1CCN(CC1)C1C=CC=CC=1)OC,3.0,Oxypertine
CC1NC2=CC=CC=C2C=1N=NC1=CC(Cl)=C(C=C1Cl)S(=O)(=O)NCCS(O)(=O)=O,7500.0,3.0,0.0,0.0,491.37800000000016,17.0,5.0,CC1NC2=CC=CC=C2C=1N=NC1=CC(Cl)=C(C=C1Cl)S(=O)(=O)NCCS(O)(=O)=O,3.8750612633917,"Ethanesulfonic acid, 2-[[[2,5-dichloro-4-[2-(2-methyl-1H-indol-3-yl)diazenyl]phenyl]sulfonyl]amino]-, sodium salt (1:1)"
CC1NC2C=CC=CC=2C=1/C=C/C1=[N+](C)C2=CC=CC=C2C1(C)C,2450.0,4.0,2.0,1.0,315.44000000000005,22.0,0.0,CC1NC2C=CC=CC=2C=1/C=C/C1=[N+](C)C2=CC=CC=C2C1(C)C,3.3891660843645326,C.I. Basic Orange 21
CC1NC2CCC(CN3CCOCC3)C(=O)C=2C=1CC,261.0,4.0,3.0,0.0,276.38,16.0,2.0,CC1NC2CCC(CN3CCOCC3)C(=O)C=2C=1CC,2.416640507338281,Molindone
CC1NC=CN=1,1500.0,1.0,2.0,0.0,82.106,4.0,0.0,CC1NC=CN=1,3.1760912590556813,2-Methylimidazole
CC1NC=NC=1CO,3750.0,1.0,2.0,0.0,112.132,5.0,1.0,CC1NC=NC=1CO,3.574031267727719,4-Methylimidazol-5-ylmethanolhydrochloride
CC1NC=NC=1CSCCN/C(/NC)=N/C#N,7500.0,4.0,3.0,0.0,252.347,10.0,0.0,CC1NC=NC=1CSCCN/C(/NC)=N/C#N,3.8750612633917,Cimetidine
CC1NCCOC1C1C=CC=CC=1,267.5,4.0,2.0,0.0,177.247,11.0,1.0,CC1NCCOC1C1C=CC=CC=1,2.427323786357247,Phenmetrazine
CC1NN2C(N=1)=NC(=O)C(CC1C=CC(=CC=1)C1SC=CC=1C1=NNN=N1)=C2CCC,300.0,4.0,1.0,0.0,432.5130000000001,21.0,1.0,CC1NN2C(N=1)=NC(=O)C(CC1C=CC(=CC=1)C1SC=CC=1C1=NNN=N1)=C2CCC,2.4771212547196626,"(1,2,4)Triazolo(1,5-a)pyrimidin-5(1H)-one, 2-methyl-7-propyl-6-((4-(3-(1H-tetrazol-5-yl)-2-thienyl)phenyl)methyl)-"
CC1NN=C(C(=O)NC2C=C(C=CC=2)C(F)(F)F)C=1Br,3500.0,4.0,2.0,0.0,348.12199999999996,12.0,1.0,CC1NN=C(C(=O)NC2C=C(C=CC=2)C(F)(F)F)C=1Br,3.5440680443502757,"1H-Pyrazolecarboxamide, 4-bromo-5-methyl-N-(3-(trifluoromethyl)phenyl)-"
CC1NN=CC=1Cl,375.0,1.0,2.0,0.0,116.551,4.0,0.0,CC1NN=CC=1Cl,2.574031267727719,"Pyrazole, 4-chloro-3-methyl-"
CC1NS(=O)(=O)C2=CC(Cl)=CC=C2N=1,980.0,4.0,2.0,0.0,230.676,8.0,2.0,CC1NS(=O)(=O)C2=CC(Cl)=CC=C2N=1,2.9912260756924947,Diazoxide
CC1OC(=O)C(C)OC1=O,2751.0,1.0,2.0,0.0,144.12599999999998,6.0,4.0,CC1OC(=O)C(C)OC1=O,3.4394905903896835,L-Dilactide
CC1OC(=O)OC=1COC(=O)C1N2C(SC1(C)C)C(NC(=O)C(N)C1C=CC=CC=1)C2=O,10000.0,4.0,1.0,0.0,461.49600000000015,21.0,7.0,CC1OC(=O)OC=1COC(=O)C1N2C(SC1(C)C)C(NC(=O)C(N)C1C=CC=CC=1)C2=O,4.0,Lenampicillin
CC1OC(C(O)C1O)N1C=C(F)C(=O)NC1=O,3390.0,3.0,2.0,0.0,246.194,9.0,5.0,CC1OC(C(O)C1O)N1C=C(F)C(=O)NC1=O,3.530199698203082,Doxifluridine
CC1OC(C)C(=O)C1=O,2320.0,1.0,2.0,0.0,128.12699999999998,6.0,3.0,CC1OC(C)C(=O)C1=O,3.3654879848909,"4-Hydroxy-2,5-dimethyl-3(2H)furanone"
CC1OC(C)OC(C)O1,2620.0,2.0,2.0,0.0,132.159,6.0,3.0,CC1OC(C)OC(C)O1,3.4183012913197452,Paraldehyde
CC1OC(C)OC(C)OC(C)O1,340.0,4.0,2.0,0.0,176.212,8.0,4.0,CC1OC(C)OC(C)OC(C)O1,2.531478917042255,Metaldehyde acetaldehyde tetramer
CC1OC(CC(C)O1)OC(C)=O,2271.5,4.0,2.0,0.0,174.196,8.0,4.0,CC1OC(CC(C)O1)OC(C)=O,3.356312741150645,Dimethoxane
CC1OC(CC)C(=NOC(=O)NC)S1,15.0,4.0,2.0,0.0,218.278,8.0,3.0,CC1OC(CC)C(=NOC(=O)NC)S1,1.1760912590556813,
CC1OC(CC)SC1=NOC(=O)NC,8.0,4.0,2.0,0.0,218.278,8.0,3.0,CC1OC(CC)SC1=NOC(=O)NC,0.9030899869919435,
CC1OC(CO1)C1C=CC=CC=1,3500.0,4.0,2.0,0.0,164.20399999999998,10.0,2.0,CC1OC(CO1)C1C=CC=CC=1,3.5440680443502757,CERAPP_39298
CC1OC(CO1)CN(C)C,575.0,2.0,2.0,0.0,145.20199999999997,7.0,2.0,CC1OC(CO1)CN(C)C,2.7596678446896306,
CC1OC(NS(=O)(=O)C2C=CC(N)=CC=2)=NC=1C,10001.0,4.0,3.0,0.0,267.31,11.0,3.0,CC1OC(NS(=O)(=O)C2C=CC(N)=CC=2)=NC=1C,4.000043427276863,Sulfamoxole
CC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1NC1C=C(CO)C(O)C(O)C1O,10001.0,0.0,1.0,3.0,645.6080000000003,25.0,18.0,CC1OC(OC2C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C(O)C2O)C(O)C(O)C1NC1C=C(CO)C(O)C(O)C1O,4.000043427276863,Acarbose
CC1OC(OC2C(NC(N)=N)C(O)C(NC(N)=N)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2NC)C1(O)C=O,9000.0,0.0,1.0,3.0,581.5800000000004,21.0,12.0,CC1OC(OC2C(NC(N)=N)C(O)C(NC(N)=N)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2NC)C1(O)C=O,3.9542425094393248,Streptomycin A
CC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(N)CC1NC(=N)C(O)=O,9813.0,3.0,1.0,0.0,379.36600000000016,14.0,9.0,CC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(N)CC1NC(=N)C(O)=O,3.991801798844644,Kasugamycin hydrochloride
CC1OC(OC2C(OC(=O)C=CC3=CC(O)=C(O)C=C3)C(CO)OC(OCCC3C=CC(O)=C(O)C=3)C2O)C(O)C(O)C1O,7500.0,0.0,1.0,3.0,624.5920000000004,29.0,15.0,CC1OC(OC2C(OC(=O)C=CC3=CC(O)=C(O)C=C3)C(CO)OC(OCCC3C=CC(O)=C(O)C=3)C2O)C(O)C(O)C1O,3.8750612633917,
CC1OC(OC2C(OC(CO)C(O)C2O)OC2=CC(O)=C(C(=O)CCC3C=CC(OC)=C(O)C=3)C(O)=C2)C(O)C(O)C1O,7500.0,0.0,1.0,3.0,612.5810000000002,28.0,15.0,CC1OC(OC2C(OC(CO)C(O)C2O)OC2=CC(O)=C(C(=O)CCC3C=CC(OC)=C(O)C=3)C(O)=C2)C(O)C(O)C1O,3.8750612633917,Neohesperidin dihydrochalcone
CC1OC(OC2C(OC3C=C(O)C4C(=O)CC(OC=4C=3)C3C=CC(O)=CC=3)OC(CO)C(O)C2O)C(O)C(O)C1O,10001.0,0.0,1.0,3.0,580.5390000000003,27.0,14.0,CC1OC(OC2C(OC3C=C(O)C4C(=O)CC(OC=4C=3)C3C=CC(O)=CC=3)OC(CO)C(O)C2O)C(O)C(O)C1O,4.000043427276863,Naringin
CC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5(O)C4CCC3=C2)C2=COC(=O)C=C2)C(O)C(O)C1O,56.0,1.0,1.0,1.0,530.6580000000004,30.0,8.0,CC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5(O)C4CCC3=C2)C2=COC(=O)C=C2)C(O)C(O)C1O,1.7481880270062005,Proscillaridin
CC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5(O)C4CCC3=C2)c2coc(=O)cc2)C(O)C(O)C1OC,79.0,1.0,0.0,1.0,544.6850000000004,31.0,8.0,CC1OC(OC2CCC3(C)C4CCC5(C)C(CCC5(O)C4CCC3=C2)c2coc(=O)cc2)C(O)C(O)C1OC,1.8976270912904414,
CC1OC(OCC2OC(O)C(OS(O)(=O)=O)C(OS(O)(=O)=O)C2OS(O)(=O)=O)C(OS(O)(=O)=O)C(OS(O)(=O)=O)C1O,6400.0,2.0,1.0,3.0,726.6180000000005,12.0,25.0,CC1OC(OCC2OC(O)C(OS(O)(=O)=O)C(OS(O)(=O)=O)C2OS(O)(=O)=O)C(OS(O)(=O)=O)C(OS(O)(=O)=O)C1O,3.806179973983887,
CC1OC(OCC2OC(OC3=CC4OC(CC(=O)C=4C(O)=C3)C3=CC(O)=C(C=C3)OC)C(O)C(O)C2O)C(O)C(O)C1O,2751.0,0.0,1.0,3.0,610.5650000000002,28.0,15.0,CC1OC(OCC2OC(OC3=CC4OC(CC(=O)C=4C(O)=C3)C3=CC(O)=C(C=C3)OC)C(O)C(O)C2O)C(O)C(O)C1O,3.4394905903896835,Hesperidin
CC1OC1C,2150.0,1.0,2.0,0.0,72.107,4.0,1.0,CC1OC1C,3.3324384599156054,"2,3-Epoxybutane"
CC1OC1C1CCC2(C)OC2C1,5630.0,4.0,2.0,0.0,168.236,10.0,2.0,CC1OC1C1CCC2(C)OC2C1,3.7505083948513462,Limonene dioxide
CC1OC1P(O)(O)=O,7000.0,1.0,2.0,0.0,138.059,3.0,4.0,CC1OC1P(O)(O)=O,3.845098040014257,Fosfomycin
CC1OC2C(CO1)OC(OC1C3COC(=O)C3C(C3=CC4OCOC=4C=C31)C1=CC(OC)=C(O)C(=C1)OC)C(O)C2O,1784.0,1.0,1.0,3.0,588.5620000000004,29.0,13.0,CC1OC2C(CO1)OC(OC1C3COC(=O)C3C(C3=CC4OCOC=4C=C31)C1=CC(OC)=C(O)C(=C1)OC)C(O)C2O,3.2513948500401044,Etoposide
CC1OC2C=C(C=CC=2N(C)C1=O)C(=O)C=CC1C=CC(Cl)=CC=1,3500.0,4.0,2.0,0.0,341.7940000000001,19.0,3.0,CC1OC2C=C(C=CC=2N(C)C1=O)C(=O)C=CC1C=CC(Cl)=CC=1,3.5440680443502757,
CC1OC2C=C(C=CC=2N=C1O)C(=O)C1C=CC(Cl)=CC=1,3500.0,4.0,2.0,0.0,301.72900000000004,16.0,3.0,CC1OC2C=C(C=CC=2N=C1O)C(=O)C1C=CC(Cl)=CC=1,3.5440680443502757,
CC1OC=CC(=O)C1=O,1648.0,1.0,2.0,0.0,126.11099999999998,6.0,3.0,CC1OC=CC(=O)C1=O,3.216957207361097,Maltol
CC1OC=CC=1C(=O)NC1C=CC=CC=1,10001.0,4.0,2.0,0.0,201.225,12.0,2.0,CC1OC=CC=1C(=O)NC1C=CC=CC=1,4.000043427276863,Fenfuram
CC1OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl,120.0,4.0,1.0,0.0,386.917,11.0,2.0,CC1OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl,2.0791812460476247,"6,7,8,9,10,10-Hexachloro-1,5,5a,6,9,9a-hexahydro-3-methyl-6,9-methano-2,4-benzodioxepin"
CC1OCCCC=1C(=O)NC1C=CC=CC=1,10001.0,4.0,2.0,0.0,217.26799999999992,13.0,2.0,CC1OCCCC=1C(=O)NC1C=CC=CC=1,4.000043427276863,Pyracarbolid [ISO]
CC1OCCO1,2900.0,1.0,2.0,0.0,88.106,4.0,2.0,CC1OCCO1,3.462397997898956,"2-Methyl-1,3-dioxolane"
CC1OCCS(=O)(=O)C=1C(=O)NC1C=CC=CC=1,2340.0,4.0,3.0,0.0,267.306,12.0,4.0,CC1OCCS(=O)(=O)C=1C(=O)NC1C=CC=CC=1,3.369215857410143,Oxycarboxin
CC1OCCSC=1C(=O)NC1C=CC=CC=1,2049.0,4.0,2.0,0.0,235.30799999999996,12.0,2.0,CC1OCCSC=1C(=O)NC1C=CC=CC=1,3.311541958401195,Carboxin
CC1OCN=C(S1)C1C=CC=CC=1,655.0,4.0,2.0,0.0,193.271,10.0,1.0,CC1OCN=C(S1)C1C=CC=CC=1,2.816241299991783,
CC1ON=C(C=1C(=O)NC1C2SC(C)(C)C(C(O)=O)N2C1=O)C1=C(F)C=CC=C1Cl,10001.0,4.0,2.0,0.0,453.8790000000002,19.0,5.0,CC1ON=C(C=1C(=O)NC1C2SC(C)(C)C(C(O)=O)N2C1=O)C1=C(F)C=CC=C1Cl,4.000043427276863,Floxacillin
CC1ON=C(C=1C(=O)NC1C2SC(C)(C)C(C(O)=O)N2C1=O)C1C(Cl)=CC=CC=1Cl,3579.0,4.0,2.0,0.0,470.3340000000002,19.0,5.0,CC1ON=C(C=1C(=O)NC1C2SC(C)(C)C(C(O)=O)N2C1=O)C1C(Cl)=CC=CC=1Cl,3.553761698390004,Dicloxacillin sodium salt monohydrate
CC1ON=C(C=1C(=O)NC1C2SC(C)(C)C(C(O)=O)N2C1=O)C1C=CC=CC=1,10000.0,4.0,2.0,0.0,401.4440000000002,19.0,5.0,CC1ON=C(C=1C(=O)NC1C2SC(C)(C)C(C(O)=O)N2C1=O)C1C=CC=CC=1,4.0,Oxacillin
CC1ON=C(C=1C(=O)NC1C2SC(C)(C)C(C(O)=O)N2C1=O)C1C=CC=CC=1Cl,7500.0,4.0,2.0,0.0,435.8890000000002,19.0,5.0,CC1ON=C(C=1C(=O)NC1C2SC(C)(C)C(C(O)=O)N2C1=O)C1C=CC=CC=1Cl,3.8750612633917,Cloxacillin sodium
CC1ON=C2C(=O)N=NC(C2=1)C1C=CC=CC=1,1000.0,4.0,2.0,0.0,227.223,12.0,2.0,CC1ON=C2C(=O)N=NC(C2=1)C1C=CC=CC=1,3.0,"Isoxazole(3,4-d)pyridazin-7(6H)-one, 3-methyl-4-phenyl-"
CC1ON=C2C=1C(=NN(C)C2=O)C1C=CC=CC=1,1000.0,4.0,2.0,0.0,241.25,13.0,2.0,CC1ON=C2C=1C(=NN(C)C2=O)C1C=CC=CC=1,3.0,"Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,6-dimethyl-4-phenyl-"
CC1ON=C2C=1C(C)N=NC2=O,1000.0,2.0,2.0,0.0,165.152,7.0,2.0,CC1ON=C2C=1C(C)N=NC2=O,3.0,"Isoxazolo(3,4-d)pyridazin-7(6H)-one, 3,4-dimethyl-"
CC1ON=CC=1C(=O)N1CCCCC1,1240.0,4.0,2.0,0.0,194.23399999999992,10.0,2.0,CC1ON=CC=1C(=O)N1CCCCC1,3.093421685162235,Nerbacadol
CC1ON=CC=1C(=O)NC1C=CC(=CC=1)C(F)(F)F,235.0,4.0,3.0,0.0,270.21,12.0,2.0,CC1ON=CC=1C(=O)NC1C=CC(=CC=1)C(F)(F)F,2.3710678622717363,Leflunomide
CC1OP(=S)(Cl)OC2CCCCC21,120.0,4.0,2.0,0.0,240.69199999999995,8.0,2.0,CC1OP(=S)(Cl)OC2CCCCC21,2.0791812460476247,"2-Chlorohexahydro-4-methyl 4H-1,3,2-benzodioxaphosphorin 2-sulfide"
CC1SC2=CC=CC=C2C=1CC1NCCN=1,74.0,4.0,2.0,0.0,230.33599999999993,13.0,0.0,CC1SC2=CC=CC=C2C=1CC1NCCN=1,1.8692317197309762,Metizoline hydrochloride
CC1SC=C(C)C=1N(C(C)COC)C(=O)CCl,428.0,4.0,2.0,0.0,275.80100000000004,12.0,2.0,CC1SC=C(C)C=1N(C(C)COC)C(=O)CCl,2.6314437690131722,Dimethenamid-P
CC1SC=NC=1C,960.0,1.0,2.0,0.0,113.185,5.0,0.0,CC1SC=NC=1C,2.9822712330395684,"4,5-Dimethylthiazole"
CC1SCC(C1=O)C(=O)OC,1150.0,4.0,2.0,0.0,174.221,7.0,3.0,CC1SCC(C1=O)C(=O)OC,3.060697840353612,"1,4-Anhydro-2,5-dideoxy-2-(methoxycarbonyl)-1-thiopent-3-ulose"
CC=C(C)C(=O)OC1CC(OC(C)=O)C2(COC3C2C21COC(O)(C2C(C)(C3O)C12OC1(C)C1CC2OC2OC=CC21O)C(=O)OC)C(=O)OC,7500.0,1.0,1.0,3.0,720.7210000000003,35.0,16.0,CC=C(C)C(=O)OC1CC(OC(C)=O)C2(COC3C2C21COC(O)(C2C(C)(C3O)C12OC1(C)C1CC2OC2OC=CC21O)C(=O)OC)C(=O)OC,3.8750612633917,Azadirachtin
CC=C1CC(=C)C(C)(O)C(=O)OCC2=CCN3CCC(OC1=O)C32,77.0,4.0,3.0,0.0,333.384,18.0,5.0,CC=C1CC(=C)C(C)(O)C(=O)OCC2=CCN3CCC(OC1=O)C32,1.8864907251724818,Seneciphylline
CC=C1CC2CC1C=C2,2863.5,2.0,2.0,0.0,120.19499999999996,9.0,0.0,CC=C1CC2CC1C=C2,3.456897187449348,5-Ethylidene-2-norbornene
CC=CC#N,501.0,1.0,2.0,0.0,67.09100000000001,4.0,0.0,CC=CC#N,2.699837725867246,2-Butenenitrile
CC=CC(=O)OC,3200.0,1.0,2.0,0.0,100.117,5.0,2.0,CC=CC(=O)OC,3.505149978319906,"2-Butenoic acid, methyl ester, (E)-"
CC=CC(=O)OCC,3000.0,1.0,2.0,0.0,114.144,6.0,2.0,CC=CC(=O)OCC,3.4771212547196626,Ethyl crotonate
CC=CC(=O)OCCCCCC,7500.0,4.0,1.0,0.0,170.25199999999998,10.0,2.0,CC=CC(=O)OCCCCCC,3.8750612633917,"2-Butenoic acid, hexyl ester"
CC=CC(C)=O,3200.0,1.0,2.0,0.0,84.118,5.0,1.0,CC=CC(C)=O,3.505149978319906,3-Penten-2-one
CC=CC(C)OC,1210.0,1.0,2.0,0.0,100.161,6.0,1.0,CC=CC(C)OC,3.0827853703164503,
CC=CC(C=CC)(C(O)=O)C(C=CC)(C=CC)C(O)=O,2700.0,4.0,2.0,0.0,278.348,16.0,4.0,CC=CC(C=CC)(C(O)=O)C(C=CC)(C=CC)C(O)=O,3.4313637641589874,"Butanedioic acid, (tetrapropenyl)-"
CC=CC(N)=O,2830.0,1.0,2.0,0.0,85.10600000000001,4.0,1.0,CC=CC(N)=O,3.45178643552429,
CC=CC(O)=O,1000.0,1.0,2.0,0.0,86.08999999999999,4.0,2.0,CC=CC(O)=O,3.0,2-Butenoic acid
CC=CC(O)C#C,34.0,1.0,2.0,0.0,96.129,6.0,1.0,CC=CC(O)C#C,1.5314789170422551,
CC=CC1=CC(OC)=C(C=C1)OC,2500.0,4.0,2.0,0.0,178.23099999999997,11.0,2.0,CC=CC1=CC(OC)=C(C=C1)OC,3.3979400086720375,4-Prop-1-enylveratrole
CC=CC1=CC2OCOC=2C=C1,1320.0,4.0,2.0,0.0,162.18799999999996,10.0,2.0,CC=CC1=CC2OCOC=2C=C1,3.12057393120585,Isosafrole
CC=CC1=CC=C(C=C1)OC,2090.0,3.0,2.0,0.0,148.20499999999998,10.0,1.0,CC=CC1=CC=C(C=C1)OC,3.3201462861110542,Anethole
CC=CC1C=C(OC)C(O)=CC=1,1560.0,4.0,2.0,0.0,164.20399999999998,10.0,2.0,CC=CC1C=C(OC)C(O)=CC=1,3.1931245983544616,Isoeugenol
CC=CC1C=CC(OCC)=C(O)C=1,2400.0,4.0,2.0,0.0,178.231,11.0,2.0,CC=CC1C=CC(OCC)=C(O)C=1,3.380211241711606,2-Ethoxy-5-(1-propenyl)phenol
CC=CC1C=CC=CC=1,3600.0,2.0,2.0,0.0,118.17899999999996,9.0,0.0,CC=CC1C=CC=CC=1,3.5563025007672873,Propenylbenzene
CC=CC=CC(=O)OCCC[Si](OC)(OC)OC,2376.0,4.0,2.0,0.0,274.389,12.0,5.0,CC=CC=CC(=O)OCCC[Si](OC)(OC)OC,3.375846436309156,"2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester, (2E,4E)-"
CC=CC=CC(O)=O,7260.0,1.0,2.0,0.0,112.128,6.0,2.0,CC=CC=CC(O)=O,3.8609366207000937,Sodium sorbate
CC=CC=CC=CC(C)=O,4300.0,3.0,2.0,0.0,136.194,9.0,1.0,CC=CC=CC=CC(C)=O,3.6334684555795866,
CC=CC=CC=CC=CC=CC=CC=C,7500.0,4.0,1.0,0.0,198.309,15.0,0.0,CC=CC=CC=CC=CC=CC=CC=C,3.8750612633917,Propylene pentamer
CC=CC=CC=O,300.0,1.0,2.0,0.0,96.129,6.0,1.0,CC=CC=CC=O,2.4771212547196626,"(2E,4E)-2,4-Hexadienal"
CC=CC=CCCCCCCCO,3200.0,4.0,1.0,0.0,182.307,12.0,1.0,CC=CC=CCCCCCCCO,3.505149978319906,Codlelure
CC=CC=CCOC(=O)C(C)C,7500.0,4.0,2.0,0.0,168.236,10.0,2.0,CC=CC=CCOC(=O)C(C)C,3.8750612633917,"2,4-Hexadienyl isobutyrate"
CC=CC=CCOC(=O)CCC,3160.0,4.0,2.0,0.0,168.23599999999996,10.0,2.0,CC=CC=CCOC(=O)CCC,3.499687082618404,"2,4-Hexadienyl butyrate"
CC=CC=O,206.0,1.0,2.0,0.0,70.09100000000001,4.0,1.0,CC=CC=O,2.3138672203691533,Crotonaldehyde
CC=CCC#N,66.0,1.0,2.0,0.0,81.11800000000001,5.0,0.0,CC=CCC#N,1.8195439355418688,3-Pentenenitrile
CC=CCC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C,1484.5,1.0,1.0,3.0,1202.634999999999,62.0,12.0,CC=CCC(C)C(O)C1C(=O)NC(CC)C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)N1C,3.1715802019320636,Cyclosporin A
CC=CCC=CCC=CCC=C,7500.0,4.0,1.0,0.0,162.27599999999998,12.0,0.0,CC=CCC=CCC=CCC=C,3.8750612633917,"1-Propene, tetramer"
CC=CCC=CCCCCCCCCOC(C)=O,1000.0,4.0,1.0,0.0,252.3979999999999,16.0,2.0,CC=CCC=CCCCCCCCCOC(C)=O,3.0,Prodenialure B
CC=CCCC1CCCC(=O)O1,6251.0,4.0,2.0,0.0,168.236,10.0,2.0,CC=CCCC1CCCC(=O)O1,3.7959494989028033,6-(Pent-3-en-1-yl)tetrahydro-2H-pyran-2-one
CC=CCCCCC,10000.0,2.0,2.0,0.0,112.216,8.0,0.0,CC=CCCCCC,4.0,2-Octene
CC=CCCCCCCCC(=O)OC,3000.0,4.0,1.0,0.0,198.306,12.0,2.0,CC=CCCCCCCCC(=O)OC,3.4771212547196626,"9-Undecenoic acid, methyl ester"
CC=CCO,793.0,1.0,2.0,0.0,72.107,4.0,1.0,CC=CCO,2.8992731873176036,But-2-en-1-ol
CC=CCl,1950.0,1.0,2.0,0.0,76.52600000000001,3.0,0.0,CC=CCl,3.290034611362518,1-Chloropropene
CC=N,1850.0,1.0,2.0,0.0,43.069,2.0,0.0,CC=N,3.2671717284030137,Vinylamine
CC=NC=O,1180.0,1.0,2.0,0.0,71.07900000000001,3.0,1.0,CC=NC=O,3.0718820073061255,"Formamide, N-ethenyl-"
CC=NN(C)C=O,320.0,1.0,2.0,0.0,100.12099999999998,4.0,1.0,CC=NN(C)C=O,2.505149978319906,Acetaldehyde methylformylhydrazone
CC=O,679.75,1.0,2.0,0.0,44.053,2.0,1.0,CC=O,2.8323492162595376,Acetaldehyde
CCB(CC)CC,235.0,2.0,2.0,0.0,97.998,6.0,0.0,CCB(CC)CC,2.3710678622717363,Triethylborane
CCBr,1350.0,1.0,2.0,0.0,108.966,2.0,0.0,CCBr,3.130333768495006,Bromoethane
CCC#N,39.0,1.0,2.0,0.0,55.07999999999999,3.0,0.0,CCC#N,1.591064607026499,Propionitrile
CCC(=C(C1C=C(O)C=CC=1)C1C=CC(=CC=1)OCCN(C)C)C1C=CC=CC=1,4500.0,3.0,0.0,1.0,387.523,26.0,2.0,CCC(=C(C1C=C(O)C=CC=1)C1C=CC(=CC=1)OCCN(C)C)C1C=CC=CC=1,3.6532125137753435,Droloxifene
CCC(=C(C1C=CC=CC=1)C1C=CC(=CC=1)OCCN(C)C)C1C=CC=CC=1,2645.0,3.0,0.0,1.0,371.524,26.0,1.0,CCC(=C(C1C=CC=CC=1)C1C=CC(=CC=1)OCCN(C)C)C1C=CC=CC=1,3.4224256763712044,Tamoxifen citrate
CCC(=C)C(=O)C1=CC=C(OCC(O)=O)C(Cl)=C1Cl,1000.0,4.0,2.0,0.0,303.14099999999996,13.0,4.0,CCC(=C)C(=O)C1=CC=C(OCC(O)=O)C(Cl)=C1Cl,3.0,Ethacrynic acid
CCC(=NOCC=CCl)C1C(=O)CC(CC1=O)C1CCOCC1,7500.0,4.0,3.0,0.0,341.83500000000015,17.0,4.0,CCC(=NOCC=CCl)C1C(=O)CC(CC1=O)C1CCOCC1,3.8750612633917,Tepraloxydim
CCC(=O)C(C)CO,2751.0,2.0,2.0,0.0,116.15999999999998,6.0,2.0,CCC(=O)C(C)CO,3.4394905903896835,"3-Pentanone, 1-hydroxy-2-methyl-"
CCC(=O)C(CC(C)N(C)C)(C1C=CC=CC=1)C1C=CC=CC=1,75.5,4.0,1.0,0.0,309.45300000000003,21.0,1.0,CCC(=O)C(CC(C)N(C)C)(C1C=CC=CC=1)C1C=CC=CC=1,1.8779469516291882,Methadone
CCC(=O)C1C(=O)CC(CC1=O)C(O)=O,7500.0,4.0,2.0,0.0,212.20099999999996,10.0,5.0,CCC(=O)C1C(=O)CC(CC1=O)C(O)=O,3.8750612633917,Prohexadione-calcium
CCC(=O)C1C(O)=CC(O)=CC=1O,2380.0,4.0,2.0,0.0,182.175,9.0,4.0,CCC(=O)C1C(O)=CC(O)=CC=1O,3.376576957056512,Flopropione
CCC(=O)C1C=CC(N)=CC=1,183.75,3.0,2.0,0.0,149.193,9.0,1.0,CCC(=O)C1C=CC(N)=CC=1,2.2642273477562327,4'-Aminopropiophenone
CCC(=O)C=CC1C=CC(=CC=1)OC,7500.0,4.0,2.0,0.0,190.24199999999996,12.0,2.0,CCC(=O)C=CC1C=CC(=CC=1)OC,3.8750612633917,1-(4-Methoxyphenyl)-1-pentene-3-one
CCC(=O)CC,2506.0,1.0,2.0,0.0,86.134,5.0,1.0,CCC(=O)CC,3.398981066658131,3-Pentanone
CCC(=O)CC(C)(C)C1C=CC=CC=1,3500.0,4.0,2.0,0.0,190.28600000000003,13.0,1.0,CCC(=O)CC(C)(C)C1C=CC=CC=1,3.5440680443502757,5-Methyl-5-phenylhexan-3-one
CCC(=O)Cl,940.0,1.0,2.0,0.0,92.525,3.0,1.0,CCC(=O)Cl,2.9731278535996988,Propanoyl chloride
CCC(=O)N(C1CCN(CC2C=CC=CC=2)CC1)C1C=CC=CC=1,175.0,4.0,2.0,0.0,322.45200000000006,21.0,1.0,CCC(=O)N(C1CCN(CC2C=CC=CC=2)CC1)C1C=CC=CC=1,2.2430380486862944,Benzylfentanyl
CCC(=O)N(C1CCN(CCC2C=CC=CC=2)CC1)C1C=CC=CC=1,18.0,4.0,2.0,0.0,336.47900000000004,22.0,1.0,CCC(=O)N(C1CCN(CCC2C=CC=CC=2)CC1)C1C=CC=CC=1,1.255272505103306,Fentanyl citrate
CCC(=O)N(C1CCNCC1)C1C=CC=CC=1,1150.0,4.0,2.0,0.0,232.3269999999999,14.0,1.0,CCC(=O)N(C1CCNCC1)C1C=CC=CC=1,3.060697840353612,Norfentanyl
CCC(=O)N1C2=CC=CC=C2N(C2CCN(CCC(C#N)(C3C=CC=CC=3)C3C=CC=CC=3)CC2)C1=O,141.0,2.0,0.0,1.0,492.62300000000016,31.0,2.0,CCC(=O)N1C2=CC=CC=C2N(C2CCN(CCC(C#N)(C3C=CC=CC=3)C3C=CC=CC=3)CC2)C1=O,2.1492191126553797,Bezitramide [INN:BAN:DCF]
CCC(=O)NC1C=C(C=CC=1)NC1C=C(C(N)=C2C=1C(=O)C1=CC=CC=C1C2=O)S(O)(=O)=O,7500.0,4.0,1.0,0.0,465.48700000000025,23.0,6.0,CCC(=O)NC1C=C(C=CC=1)NC1C=C(C(N)=C2C=1C(=O)C1=CC=CC=C1C2=O)S(O)(=O)=O,3.8750612633917,"2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-[[3-[(1-oxopropyl)amino]phenyl]amino]-, sodium salt (1:1)"
CCC(=O)NC1C=C(Cl)C(Cl)=CC=1,1118.0,4.0,2.0,0.0,218.08299999999997,9.0,1.0,CCC(=O)NC1C=C(Cl)C(Cl)=CC=1,3.0484418035504044,Propanil
CCC(=O)NC1CC2SC(N)=NC=2CC1,2751.0,4.0,2.0,0.0,225.31699999999995,10.0,1.0,CCC(=O)NC1CC2SC(N)=NC=2CC1,3.4394905903896835,Pramipexole propionamide
CCC(=O)OC,7500.0,1.0,2.0,0.0,88.106,4.0,2.0,CCC(=O)OC,3.8750612633917,Methyl propanoate
CCC(=O)OC(=O)CC,2360.0,1.0,2.0,0.0,130.14299999999997,6.0,3.0,CCC(=O)OC(=O)CC,3.3729120029701067,Propanoic anhydride
CCC(=O)OC(C)(C)CC1C=CC=CC=1,7500.0,4.0,2.0,0.0,206.285,13.0,2.0,CCC(=O)OC(C)(C)CC1C=CC=CC=1,3.8750612633917,CERAPP_43377
CCC(=O)OC(CC1C=CC=CC=1)(C(C)CN(C)C)C1C=CC=CC=1,145.5,4.0,1.0,0.0,339.47900000000016,22.0,2.0,CCC(=O)OC(CC1C=CC=CC=1)(C(C)CN(C)C)C1C=CC=CC=1,2.162862993321926,Propoxyphene
CCC(=O)OC(COC(=O)CC)COC(=O)CC,6400.0,4.0,2.0,0.0,260.28599999999994,12.0,6.0,CCC(=O)OC(COC(=O)CC)COC(=O)CC,3.806179973983887,Tripropionin
CCC(=O)OC1C=CC2C1C1CC2CC1,7500.0,4.0,2.0,0.0,206.2849999999999,13.0,2.0,CCC(=O)OC1C=CC2C1C1CC2CC1,3.8750612633917,"3a,4,5,6,7,7a-Hexahydro-4,7-methano-1H-indenyl propionate"
CCC(=O)OC1CC2CC1C1CC=CC21,7500.0,4.0,2.0,0.0,206.285,13.0,2.0,CCC(=O)OC1CC2CC1C1CC=CC21,3.8750612633917,"4,7-Methano-1H-inden-6-ol, 3a,4,5,6,7,7a-hexahydro-, propanoate"
CCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,1000.0,4.0,2.0,0.0,344.4950000000001,22.0,3.0,CCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C,3.0,Testosterone propionate
CCC(=O)OC=C,4760.0,1.0,2.0,0.0,100.117,5.0,2.0,CCC(=O)OC=C,3.677606952720493,Vinyl propionate
CCC(=O)OCC,8732.0,1.0,2.0,0.0,102.133,5.0,2.0,CCC(=O)OCC,3.9411137270371017,Ethyl propionate
CCC(=O)OCC(=O)C1(CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C)OC(=O)CCC,5120.0,2.0,0.0,0.0,488.6210000000003,28.0,7.0,CCC(=O)OCC(=O)C1(CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C)OC(=O)CCC,3.709269960975831,Hydrocortisone buteprate
CCC(=O)OCC(C)(C)CC1C(CCC=1C)C(C)=C,7500.0,4.0,1.0,0.0,264.40899999999993,17.0,2.0,CCC(=O)OCC(C)(C)CC1C(CCC=1C)C(C)=C,3.8750612633917,CERAPP_46876
CCC(=O)OCC1C=CC=CC=1,3491.0,4.0,2.0,0.0,164.204,10.0,2.0,CCC(=O)OCC1C=CC=CC=1,3.5429498488141786,Benzyl propanoate
CCC(=O)OCC=CC1C=CC=CC=1,3400.0,4.0,2.0,0.0,190.242,12.0,2.0,CCC(=O)OCC=CC1C=CC=CC=1,3.531478917042255,3-Phenylprop-2-en-1-yl propanoate
CCC(=O)OCCC,10001.0,2.0,2.0,0.0,116.15999999999998,6.0,2.0,CCC(=O)OCCC,4.000043427276863,Propyl propionate
CCC(=O)OCCC(C)C,4324.0,3.0,2.0,0.0,144.21399999999997,8.0,2.0,CCC(=O)OCCC(C)C,3.6358856852812727,3-Methylbutyl propanoate
CCC(=O)OCCC1C=CC=CC=1,3351.0,4.0,2.0,0.0,178.23100000000002,11.0,2.0,CCC(=O)OCCC1C=CC=CC=1,3.5251744278352715,2-Phenylethyl propionate
CCC(=O)OCCC=CCC,7500.0,3.0,2.0,0.0,156.225,9.0,2.0,CCC(=O)OCCC=CCC,3.8750612633917,(3Z)-Hex-3-en-1-yl propanoate
CCC(=O)OCCCC1C=CC=CC=1,7500.0,4.0,2.0,0.0,192.25800000000004,12.0,2.0,CCC(=O)OCCCC1C=CC=CC=1,3.8750612633917,"Benzenepropanol, 1-propanoate"
CCC(=O)OCCOC1C=CC=CC=1,4400.0,4.0,2.0,0.0,194.23,11.0,3.0,CCC(=O)OCCOC1C=CC=CC=1,3.6434526764861874,Phenoxyethyl propionate
CCC(Br)(CC)C(=O)NC(N)=O,316.0,4.0,2.0,0.0,237.097,7.0,2.0,CCC(Br)(CC)C(=O)NC(N)=O,2.499687082618404,Carbromal
CCC(Br)C(=O)OCC,400.0,3.0,2.0,0.0,195.05599999999995,6.0,2.0,CCC(Br)C(=O)OCC,2.6020599913279625,CERAPP_53511
CCC(C(=O)OCC)C(=O)OCC,3500.0,4.0,1.0,0.0,188.22299999999996,9.0,4.0,CCC(C(=O)OCC)C(=O)OCC,3.5440680443502757,Diethyl ethylpropanedioate
CCC(C(=O)OCCCC=C)N(CC1=CC=CO1)C(=O)N1C=NC=C1,981.0,4.0,2.0,0.0,345.399,18.0,4.0,CCC(C(=O)OCCCC=C)N(CC1=CC=CO1)C(=O)N1C=NC=C1,2.9916690073799486,Pefurazoate
CCC(C(=O)OCCOCCN(CC)CC)C1C=CC=CC=1,4164.0,4.0,2.0,0.0,307.43399999999997,18.0,3.0,CCC(C(=O)OCCOCCN(CC)CC)C1C=CC=CC=1,3.6195107208384987,Butamirate
CCC(C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1)[N+]([O-])=O,328.0,4.0,2.0,1.0,324.20700000000005,16.0,2.0,CCC(C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1)[N+]([O-])=O,2.515873843711679,Bulan
CCC(C(CC)C1C=CC(O)=CC=1)C1C=CC(O)=CC=1,3500.0,4.0,1.0,0.0,270.37199999999996,18.0,2.0,CCC(C(CC)C1C=CC(O)=CC=1)C1C=CC(O)=CC=1,3.5440680443502757,meso-Hexestrol
CCC(C(N)=O)N1CCCC1=O,3500.0,4.0,2.0,0.0,170.212,8.0,2.0,CCC(C(N)=O)N1CCCC1=O,3.5440680443502757,Etiracetam
CCC(C(O)=O)C1(O)CCCCC1,4820.0,4.0,2.0,0.0,186.25099999999992,10.0,3.0,CCC(C(O)=O)C1(O)CCCCC1,3.6830470382388496,CERAPP_27650
CCC(C(O)=O)C1C=CC(=CC=1)N1CC2=CC=CC=C2C1=O,373.0,4.0,3.0,0.0,295.33799999999997,18.0,3.0,CCC(C(O)=O)C1C=CC(=CC=1)N1CC2=CC=CC=C2C1=O,2.571708831808688,Indobufen
CCC(C(O)C1C=C2C=CC(=O)NC2=CC=1)N1CCN(CC1)C1C=C(Cl)C=CC=1,500.0,4.0,1.0,0.0,411.9330000000002,23.0,2.0,CCC(C(O)C1C=C2C=CC(=O)NC2=CC=1)N1CCN(CC1)C1C=C(Cl)C=CC=1,2.6989700043360187,
CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21,4438.0,4.0,0.0,0.0,418.57400000000024,25.0,5.0,CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21,3.6471872978959894,Simvastatin
CCC(C)(C)C(O)=O,1395.0,2.0,2.0,0.0,116.15999999999995,6.0,2.0,CCC(C)(C)C(O)=O,3.144574207609616,"2,2-Dimethylbutanoic acid"
CCC(C)(C)C1=CC2=C(C=C1)C(=O)C1C=CC=CC=1C2=O,1600.0,4.0,2.0,0.0,278.351,19.0,2.0,CCC(C)(C)C1=CC2=C(C=C1)C(=O)C1C=CC=CC=1C2=O,3.2041199826559246,"2-(2-Methylbutan-2-yl)anthracene-9,10-dione"
CCC(C)(C)C1C=CC=CC=1,2751.0,3.0,2.0,0.0,148.24899999999997,11.0,0.0,CCC(C)(C)C1C=CC=CC=1,3.4394905903896835,tert-Pentylbenzene
CCC(C)(C)C1CCC(=O)CC1,4700.0,4.0,2.0,0.0,168.27999999999994,11.0,1.0,CCC(C)(C)C1CCC(=O)CC1,3.6720978579357175,4-(tert-Pentyl)-cyclohexanone
CCC(C)(C)C1CCCCC1OC(C)=O,7500.0,4.0,1.0,0.0,212.33299999999997,13.0,2.0,CCC(C)(C)C1CCCCC1OC(C)=O,3.8750612633917,2-(2-Methylbutan-2-yl)cyclohexyl acetate
CCC(C)(C)N/C(/N)=N/C#N,300.0,3.0,2.0,0.0,154.21699999999998,7.0,0.0,CCC(C)(C)N/C(/N)=N/C#N,2.4771212547196626,Guancydine
CCC(C)(C)O,1249.75,1.0,2.0,0.0,88.14999999999998,5.0,1.0,CCC(C)(C)O,3.096823145424628,Sodium 2-methylbutan-2-olate
CCC(C)(C)OC,1865.0,2.0,2.0,0.0,102.17699999999998,6.0,1.0,CCC(C)(C)OC,3.2706788361447066,tert-Amyl methyl ether
CCC(C)(C)OC(=O)NC(CC1=CNC2C=CC=CC1=2)C(=O)NC(CCSC)C(=O)NC(CC(O)=O)C(=O)NC(CC1C=CC=CC=1)C(N)=O,7500.0,1.0,1.0,1.0,710.8540000000002,35.0,8.0,CCC(C)(C)OC(=O)NC(CC1=CNC2C=CC=CC1=2)C(=O)NC(CCSC)C(=O)NC(CC(O)=O)C(=O)NC(CC1C=CC=CC=1)C(N)=O,3.8750612633917,Amogastrin
CCC(C)(C)OO,502.0,1.0,2.0,0.0,104.14899999999996,5.0,2.0,CCC(C)(C)OO,2.7007037171450192,"1,1-Dimethylpropyl hydroperoxide"
CCC(C)(CCCC(C)C)OC(C)=O,2967.0,4.0,0.0,0.0,200.32199999999995,12.0,2.0,CCC(C)(CCCC(C)C)OC(C)=O,3.472317546316842,"3,7-Dimethyloctan-3-yl acetate"
CCC(C)(N)C#N,74.0,1.0,2.0,0.0,98.149,5.0,0.0,CCC(C)(N)C#N,1.8692317197309762,2-Amino-2-methyl-butyronitrile
CCC(C)(O)C=C,700.0,1.0,2.0,0.0,100.161,6.0,1.0,CCC(C)(O)C=C,2.845098040014257,CERAPP_55534
CCC(C)(O)CC1C=CC=CC=1,4000.0,4.0,2.0,0.0,164.248,11.0,1.0,CCC(C)(O)CC1C=CC=CC=1,3.6020599913279625,
CCC(C)(O)CCC1C=CC=CC=1,2950.0,4.0,2.0,0.0,178.275,12.0,1.0,CCC(C)(O)CCC1C=CC=CC=1,3.469822015978163,CERAPP_33910
CCC(C)(O)CCC=C(C)C,3500.0,3.0,1.0,0.0,156.26899999999998,10.0,1.0,CCC(C)(O)CCC=C(C)C,3.5440680443502757,"3,7-Dimethyloct-6-en-3-ol"
CCC(C)(O)CCCC(C)C,6540.0,3.0,1.0,0.0,158.28499999999997,10.0,1.0,CCC(C)(O)CCCC(C)C,3.815577748324267,"3,7-Dimethyl-3-octanol"
CCC(C)=CCCC(C)(C=C)OC(C)=O,7500.0,4.0,0.0,0.0,210.31699999999995,13.0,2.0,CCC(C)=CCCC(C)(C=C)OC(C)=O,3.8750612633917,CERAPP_42400
CCC(C)=CCCC(C)(O)C#C,3500.0,4.0,1.0,0.0,166.26399999999995,11.0,1.0,CCC(C)=CCCC(C)(O)C#C,3.5440680443502757,"6-Nonen-1-yn-3-ol, 3,7-dimethyl-"
CCC(C)=CCCC(C)(O)C=C,5000.0,4.0,1.0,0.0,168.27999999999997,11.0,1.0,CCC(C)=CCCC(C)(O)C=C,3.6989700043360187,Ethyl linalool
CCC(C)=CCCC(C)=CC#N,2600.0,4.0,1.0,0.0,163.26399999999998,11.0,0.0,CCC(C)=CCCC(C)=CC#N,3.4149733479708178,"3,7-Dimethylnona-2,6-dienenitrile"
CCC(C)=CCCC(C)=O,3544.0,3.0,2.0,0.0,140.22599999999997,9.0,1.0,CCC(C)=CCCC(C)=O,3.5494937132150133,"5-Octen-2-one, 6-methyl-"
CCC(C)=O,3150.0,1.0,2.0,0.0,72.10699999999999,4.0,1.0,CCC(C)=O,3.4983105537896004,Methyl ethyl ketone
CCC(C)Br,3500.0,1.0,2.0,0.0,137.01999999999998,4.0,0.0,CCC(C)Br,3.5440680443502757,2-Bromobutane
CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21,7500.0,4.0,0.0,0.0,404.54700000000025,24.0,5.0,CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C21,3.8750612633917,Lovastatin
CCC(C)C(=O)OC1CC(O)C=C2C=CC(C)C(CCC(O)CC(O)CC(O)=O)C21,10001.0,4.0,1.0,0.0,424.5340000000002,23.0,7.0,CCC(C)C(=O)OC1CC(O)C=C2C=CC(C)C(CCC(O)CC(O)CC(O)=O)C21,4.000043427276863,Pravastatin
CCC(C)C(=O)OCCC1C=CC=CC=1,7500.0,4.0,2.0,0.0,206.285,13.0,2.0,CCC(C)C(=O)OCCC1C=CC=CC=1,3.8750612633917,2-Phenylethyl 2-methylbutanoate
CCC(C)C(C)(COC(N)=O)COC(N)=O,1160.0,4.0,1.0,0.0,232.27999999999992,10.0,4.0,CCC(C)C(C)(COC(N)=O)COC(N)=O,3.0644579892269186,Mebutamate
CCC(C)C(C)CCOC(C)=O,7500.0,4.0,1.0,0.0,172.26799999999997,10.0,2.0,CCC(C)C(C)CCOC(C)=O,3.8750612633917,"Acetic acid, C7-9-branched alkyl esters, C8-rich"
CCC(C)C(CCN(CC=C(C)C)CC=C(C)C)(C#N)C1=CC=CC2=CC=CC=C21,800.0,2.0,0.0,1.0,402.6260000000001,28.0,0.0,CCC(C)C(CCN(CC=C(C)C)CC=C(C)C)(C#N)C1=CC=CC2=CC=CC=C21,2.9030899869919438,
CCC(C)C(O)=O,2106.0,1.0,2.0,0.0,102.13299999999998,5.0,2.0,CCC(C)C(O)=O,3.3234583668494677,2-Methylbutanoic acid
CCC(C)C1(CC=C)C(=O)NC(=O)NC1=O,57.5,4.0,2.0,0.0,224.26,11.0,3.0,CCC(C)C1(CC=C)C(=O)NC(=O)NC1=O,1.7596678446896306,Talbutal
CCC(C)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C,6871.0,4.0,2.0,1.0,262.43699999999995,18.0,1.0,CCC(C)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C,3.837019948540908,"4-(Butan-2-yl)-2,6-di-tert-butylphenol"
CCC(C)C1=CC(=CC(=C1O)N1N=C2C=CC=CC2=N1)S(O)(=O)=O,6251.0,4.0,2.0,0.0,347.3960000000001,16.0,4.0,CCC(C)C1=CC(=CC(=C1O)N1N=C2C=CC=CC2=N1)S(O)(=O)=O,3.7959494989028033,"Benzenesulfonic acid, 3-(2H-benzotriazol-2-yl)-4-hydroxy-5-(1-methylpropyl)-, sodium salt (1:1)"
CCC(C)C1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O,45.5,4.0,2.0,0.0,240.21499999999995,10.0,5.0,CCC(C)C1=CC(=CC(=C1O)[N+]([O-])=O)[N+]([O-])=O,1.6580113966571124,Dinoseb
CCC(C)C1=CC=CC=C1OC(=O)NC,350.0,4.0,2.0,0.0,207.27299999999997,12.0,2.0,CCC(C)C1=CC=CC=C1OC(=O)NC,2.5440680443502757,Fenobucarb
CCC(C)C1C=C2C=CC=NC2=CC=1,1020.0,4.0,1.0,0.0,185.27,13.0,0.0,CCC(C)C1C=C2C=CC=NC2=CC=1,3.0086001717619175,6-(Butan-2-yl)quinoline
CCC(C)C1C=CC(=CC=1)O/C(/O)=N/C,44.0,4.0,2.0,0.0,207.273,12.0,2.0,CCC(C)C1C=CC(=CC=1)O/C(/O)=N/C,1.6434526764861874,
CCC(C)C1C=CC=CC=1,2240.0,3.0,2.0,0.0,134.22199999999998,10.0,0.0,CCC(C)C1C=CC=CC=1,3.3502480183341627,sec-Butylbenzene
CCC(C)C1C=CC=CC=1O,613.0,3.0,2.0,0.0,150.22099999999998,10.0,1.0,CCC(C)C1C=CC=CC=1O,2.787460474518415,2-(Butan-2-yl)phenol
CCC(C)C=O,6761.0,1.0,2.0,0.0,86.13399999999999,5.0,1.0,CCC(C)C=O,3.830010935936118,2-Methylbutanal
CCC(C)CCCC(C)(C)O,7500.0,3.0,1.0,0.0,158.285,10.0,1.0,CCC(C)CCCC(C)(C)O,3.8750612633917,"2,6-Dimethyloctan-2-ol"
CCC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCN)NC1=O)C(C)O,121.0,0.0,1.0,3.0,1169.4819999999995,53.0,13.0,CCC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(CCN)NC(=O)C(CCN)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCN)NC1=O)C(C)O,2.0827853703164503,Colistin A
CCC(C)CO,4633.0,1.0,2.0,0.0,88.14999999999999,5.0,1.0,CCC(C)CO,3.6658623002031554,2-Methyl-1-butanol
CCC(C)Cl,2751.0,1.0,2.0,0.0,92.569,4.0,0.0,CCC(C)Cl,3.4394905903896835,2-Chlorobutane
CCC(C)N,152.0,1.0,2.0,0.0,73.13900000000001,4.0,0.0,CCC(C)N,2.1818435879447726,2-Butanamine
CCC(C)N(C(C)CC)C(=O)SCC1C=CC=CC=1,10000.0,4.0,1.0,0.0,279.44900000000007,16.0,1.0,CCC(C)N(C(C)CC)C(=O)SCC1C=CC=CC=1,4.0,Tiocarbazil
CCC(C)N=O,1628.0,1.0,2.0,0.0,87.122,4.0,1.0,CCC(C)N=O,3.2116544005531824,2-Butanone oxime
CCC(C)NC1C(=CC(=CC=1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O,1254.0,4.0,2.0,0.0,295.339,14.0,4.0,CCC(C)NC1C(=CC(=CC=1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O,3.0982975364946976,Butralin
CCC(C)NCCO,1150.0,2.0,2.0,0.0,117.192,6.0,1.0,CCC(C)NCCO,3.060697840353612,"Ethanol, 2-[(1-methylpropyl)amino]-"
CCC(C)NP1(=S)OCC2=CC(=CC=C2O1)[N+]([O-])=O,125.0,4.0,3.0,0.0,302.29200000000003,11.0,4.0,CCC(C)NP1(=S)OCC2=CC(=CC=C2O1)[N+]([O-])=O,2.0969100130080562,
CCC(C)O,2226.0,1.0,2.0,0.0,74.12299999999999,4.0,1.0,CCC(C)O,3.3475251599986895,2-Butanol
CCC(C)OC(=O)Cl,1510.0,1.0,2.0,0.0,136.57799999999995,5.0,2.0,CCC(C)OC(=O)Cl,3.1789769472931693,sec-Butyl chloroformate
CCC(C)OC(C)=O,3200.0,2.0,2.0,0.0,116.15999999999998,6.0,2.0,CCC(C)OC(C)=O,3.505149978319906,Butan-2-yl acetate
CCC(C)OCCO,790.0,2.0,2.0,0.0,118.176,6.0,2.0,CCC(C)OCCO,2.8976270912904414,
CCC(C)S,5176.0,1.0,2.0,0.0,90.191,4.0,0.0,CCC(C)S,3.713994267660644,2-Butanethiol
CCC(C1C(=O)OC2=CC=CC=C2C1=O)C1=CC=CC=C1,200.0,4.0,2.0,0.0,280.323,18.0,3.0,CCC(C1C(=O)OC2=CC=CC=C2C1=O)C1=CC=CC=C1,2.3010299956639813,Phenprocoumon
CCC(C1C=CC(=CC=1)OP(O)(O)=O)=C(CC)C1C=CC(=CC=1)OP(O)(O)=O,3000.0,4.0,0.0,0.0,428.3140000000001,18.0,8.0,CCC(C1C=CC(=CC=1)OP(O)(O)=O)=C(CC)C1C=CC(=CC=1)OP(O)(O)=O,3.4771212547196626,Diethylstilbestrol diphosphate
CCC(C1C=CC(O)=CC=1)=C(CC)C1C=CC(O)=CC=1,3000.0,4.0,1.0,0.0,268.356,18.0,2.0,CCC(C1C=CC(O)=CC=1)=C(CC)C1C=CC(O)=CC=1,3.4771212547196626,Diethylstilbestrol
CCC(C1C=CC=CC=1)C(=O)NC(N)=O,2063.0,4.0,2.0,0.0,206.24500000000003,11.0,2.0,CCC(C1C=CC=CC=1)C(=O)NC(N)=O,3.3144992279731516,Ethylphenylacetylurea
CCC(C1N=C(CCN(CC)CC)ON=1)C1C=CC=CC=1,1400.0,4.0,2.0,0.0,287.407,17.0,1.0,CCC(C1N=C(CCN(CC)CC)ON=1)C1C=CC=CC=1,3.146128035678238,Proxazole citrate
CCC(CC)C(=O)OCC(Br)(Br)Br,4000.0,4.0,1.0,0.0,380.90199999999993,8.0,2.0,CCC(CC)C(=O)OCC(Br)(Br)Br,3.6020599913279625,"Butyric acid, 2-ethyl-, 2,2,2-tribromoethyl ester"
CCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CC,6000.0,4.0,2.0,0.0,346.46400000000006,18.0,6.0,CCC(CC)C(=O)OCCOCCOCCOC(=O)C(CC)CC,3.7781512503836434,Triethylene glycol bis(2-ethylbutyrate)
CCC(CC)C(O)=O,2200.0,2.0,2.0,0.0,116.15999999999998,6.0,2.0,CCC(CC)C(O)=O,3.342422680822206,2-Ethylbutyric acid
CCC(CC)C=O,3980.0,1.0,2.0,0.0,100.161,6.0,1.0,CCC(CC)C=O,3.5998830720736876,2-Ethylbutyraldehyde
CCC(CC1=C(I)C=C(I)C(N)=C1I)C(O)=O,1540.0,3.0,1.0,1.0,570.9340000000001,11.0,2.0,CCC(CC1=C(I)C=C(I)C(N)=C1I)C(O)=O,3.187520720836463,Iopanoic acid
CCC(CC1C(I)=CC(I)=C(NC(=O)CCC)C=1I)C(O)=O,6500.0,3.0,0.0,1.0,641.0250000000002,15.0,3.0,CCC(CC1C(I)=CC(I)=C(NC(=O)CCC)C=1I)C(O)=O,3.8129133566428557,Sodium tyropanoate
CCC(CC1C(I)=CC(I)=C(O)C=1I)C(O)=O,3500.0,3.0,1.0,1.0,571.9180000000001,11.0,3.0,CCC(CC1C(I)=CC(I)=C(O)C=1I)C(O)=O,3.5440680443502757,Iophenoxic acid
CCC(CC=C)(CC)C(N)=O,400.0,3.0,2.0,0.0,155.24099999999996,9.0,1.0,CCC(CC=C)(CC)C(N)=O,2.6020599913279625,Valdetamide
CCC(CCCC)C(=O)OCC(CCCC)CC,10001.0,4.0,1.0,0.0,256.4299999999999,16.0,2.0,CCC(CCCC)C(=O)OCC(CCCC)CC,4.000043427276863,2-Ethylhexyl 2-ethylhexanoate
CCC(CCCC)C(=O)OCCCCCCCCCCCCCCCC,2751.0,2.0,0.0,1.0,368.6460000000002,24.0,2.0,CCC(CCCC)C(=O)OCCCCCCCCCCCCCCCC,3.4394905903896835,CERAPP_42012
CCC(CCCC)C(C1C=CC(O)=CC=1)C1C=CC(O)=CC=1,1150.0,4.0,1.0,1.0,298.426,20.0,2.0,CCC(CCCC)C(C1C=CC(O)=CC=1)C1C=CC(O)=CC=1,3.060697840353612,"4,4'-(2-Ethylhexane-1,1-diyl)diphenol"
CCC(CCCC)C1OCCO1,7100.0,4.0,2.0,0.0,172.26799999999994,10.0,2.0,CCC(CCCC)C1OCCO1,3.8512583487190755,CERAPP_31325
CCC(CN)=C(C1C=CC=CC=1)C1C=CC=CC=1,148.0,4.0,1.0,0.0,237.346,17.0,0.0,CCC(CN)=C(C1C=CC=CC=1)C1C=CC=CC=1,2.1702617153949575,Etifelmine hydrochloride
CCC(CN)CC,350.0,2.0,2.0,0.0,101.193,6.0,0.0,CCC(CN)CC,2.5440680443502757,2-Ethyl butylamine
CCC(CN1C(=O)C2C(C3CC2C=C3)C1=O)CCCC,2800.0,4.0,2.0,0.0,275.39200000000005,17.0,2.0,CCC(CN1C(=O)C2C(C3CC2C=C3)C1=O)CCCC,3.4471580313422194,MGK-264
CCC(CO)(CO)C(O)=O,2751.0,1.0,2.0,0.0,148.158,6.0,4.0,CCC(CO)(CO)C(O)=O,3.4394905903896835,"Butanoic acid, 2,2-bis(hydroxymethyl)-"
CCC(CO)(CO)CC,850.0,2.0,1.0,0.0,132.203,7.0,2.0,CCC(CO)(CO)CC,2.929418925714293,Prenderol
CCC(CO)(CO)CO,10001.0,1.0,1.0,0.0,134.17499999999998,6.0,3.0,CCC(CO)(CO)CO,4.000043427276863,"2-Ethyl-2-(hydroxymethyl)-1,3-propanediol"
CCC(CO)(COCC=C)COCC=C,4813.0,4.0,1.0,0.0,214.305,12.0,3.0,CCC(CO)(COCC=C)COCC=C,3.6824158616773586,"2,2-Bis[(prop-2-en-1-yloxy)methyl]butan-1-ol"
CCC(CO)C(O)CCC,4988.0,3.0,1.0,0.0,146.23,8.0,2.0,CCC(CO)C(O)CCC,3.697926444806505,"2-Ethyl-1,3-hexanediol"
CCC(CO)CC,1850.0,2.0,2.0,0.0,102.177,6.0,1.0,CCC(CO)CC,3.2671717284030137,2-Ethyl-1-butanol
CCC(CO)NC(=O)C1CN(C)C2CC3=CN(C)C4=CC=CC(C2=C1)=C34,2100.0,4.0,1.0,0.0,353.4660000000001,21.0,2.0,CCC(CO)NC(=O)C1CN(C)C2CC3=CN(C)C4=CC=CC(C2=C1)=C34,3.322219294733919,Methysergide
CCC(CO)NC(=O)C1CN(C)C2CC3=CNC4=CC=CC(=C34)C2=C1,93.0,4.0,3.0,0.0,339.4390000000002,20.0,2.0,CCC(CO)NC(=O)C1CN(C)C2CC3=CNC4=CC=CC(=C34)C2=C1,1.968482948553935,Methergine
CCC(CO)NCCNC(CO)CC,3899.0,4.0,1.0,0.0,204.314,10.0,2.0,CCC(CO)NCCNC(CO)CC,3.590953235187986,Ethambutol
CCC(COC(=O)C(C)=C)(COC(=O)C(C)=C)COC(=O)C(C)=C,3500.0,4.0,2.0,0.0,338.4000000000001,18.0,6.0,CCC(COC(=O)C(C)=C)(COC(=O)C(C)=C)COC(=O)C(C)=C,3.5440680443502757,Trimethylolpropane trimethacrylate
CCC(COC(=O)C1=CC(OC)=C(OC)C(=C1)OC)(C1C=CC=CC=1)N(C)C,7500.0,4.0,0.0,0.0,387.47600000000006,22.0,5.0,CCC(COC(=O)C1=CC(OC)=C(OC)C(=C1)OC)(C1C=CC=CC=1)N(C)C,3.8750612633917,Trimebutine maleate
CCC(COC(=O)C1CC2OC2CC1)CCCC,1250.0,4.0,2.0,0.0,254.36999999999995,15.0,3.0,CCC(COC(=O)C1CC2OC2CC1)CCCC,3.0969100130080562,CERAPP_42449
CCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,5190.0,4.0,2.0,0.0,296.319,15.0,6.0,CCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C,3.7151673578484576,Trimethylolpropane triacrylate
CCC(COC(=O)C=C)CC,6490.0,3.0,2.0,0.0,156.22499999999997,9.0,2.0,CCC(COC(=O)C=C)CC,3.812244696800369,2-Ethylbutyl acrylate
CCC(COC(=O)CC(C(=O)OCC(CCCC)CC)S(O)(=O)=O)CCCC,3378.0,4.0,0.0,0.0,422.58400000000023,20.0,7.0,CCC(COC(=O)CC(C(=O)OCC(CCCC)CC)S(O)(=O)=O)CCCC,3.5286596452349897,Docusate hydrogen
CCC(COC(=O)CCCCCCCC)(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC,2751.0,0.0,0.0,2.0,554.8530000000005,33.0,6.0,CCC(COC(=O)CCCCCCCC)(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC,3.4394905903896835,"Nonanoic acid, 2-ethyl-2-[[(1-oxononyl)oxy]methyl]-1,3-propanediyl ester"
CCC(COC(=O)CCCCCCCCC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC,3500.0,0.0,0.0,2.0,540.8260000000006,32.0,6.0,CCC(COC(=O)CCCCCCCCC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC,3.5440680443502757,"Decanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol octanoate"
CCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS,1500.0,4.0,1.0,0.0,398.5680000000001,15.0,6.0,CCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS,3.1760912590556813,"2,2-Bis{[(3-sulfanylpropanoyl)oxy]methyl}butyl 3-sulfanylpropanoate"
CCC(COC(=O)OOC(C)(C)C)CCCC,7500.0,4.0,0.0,0.0,246.34699999999995,13.0,4.0,CCC(COC(=O)OOC(C)(C)C)CCCC,3.8750612633917,tert-Butylperoxy 2-ethylhexyl carbonate
CCC(COCC(COC(=O)C=C)(COC(=O)C=C)CC)(COC(=O)C=C)COC(=O)C=C,7500.0,4.0,1.0,0.0,466.5270000000003,24.0,9.0,CCC(COCC(COC(=O)C=C)(COC(=O)C=C)CC)(COC(=O)C=C)COC(=O)C=C,3.8750612633917,Ditrimethylolpropane tetraacrylate
CCC(COCC(O)COC1=CC(O)=C(C=C1)C1N=C(N=C(N=1)C1=CC=C(C)C=C1C)C1=CC=C(C)C=C1C)CCCC,2751.0,0.0,0.0,2.0,583.7730000000003,36.0,4.0,CCC(COCC(O)COC1=CC(O)=C(C=C1)C1N=C(N=C(N=1)C1=CC=C(C)C=C1C)C1=CC=C(C)C=C1C)CCCC,3.4394905903896835,"Phenol, 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-[3-[(2-ethylhexyl)oxy]-2-hydroxypropoxy]-"
CCC(COCC1CO1)(COCC1CO1)COCC1CO1,3398.0,4.0,2.0,0.0,302.367,15.0,6.0,CCC(COCC1CO1)(COCC1CO1)COCC1CO1,3.5312233745330266,"Trimethylolpropane, (chloromethyl)oxirane polymer"
CCC(COCC1CO1)CCCC,7650.0,4.0,1.0,0.0,186.29499999999996,11.0,2.0,CCC(COCC1CO1)CCCC,3.8836614351536176,2-Ethylhexyl glycidyl ether
CCC(COCC=C)(CO)CO,4930.0,4.0,1.0,0.0,174.24,9.0,3.0,CCC(COCC=C)(CO)CO,3.69284691927723,2-Allyloxymethyl-2-ethylpropanediol
CCC(COCCC#N)CC,2460.0,3.0,1.0,0.0,155.241,9.0,1.0,CCC(COCCC#N)CC,3.3909351071033793,"Propionitrile, 3-(2-ethylbutoxy)-"
CCC(COCCC(O)=O)CC,3730.0,4.0,1.0,0.0,174.23999999999998,9.0,3.0,CCC(COCCC(O)=O)CC,3.571708831808688,"Propionic acid, 3-(2-ethylbutoxy)-"
CCC(COCCOC(=O)C=C)(COCCOC(=O)C=C)COCCOC(=O)C=C,3500.0,4.0,1.0,0.0,428.4780000000003,21.0,9.0,CCC(COCCOC(=O)C=C)(COCCOC(=O)C=C)COCCOC(=O)C=C,3.5440680443502757,
CCC(COP(=O)(OC1C=CC=CC=1)OC1C=CC=CC=1)CCCC,10001.0,3.0,0.0,1.0,362.40600000000006,20.0,4.0,CCC(COP(=O)(OC1C=CC=CC=1)OC1C=CC=CC=1)CCCC,4.000043427276863,2-Ethylhexyl diphenyl phosphate
CCC(COP(OC1C=CC=CC=1)OC1C=CC=CC=1)CCCC,3952.0,3.0,1.0,1.0,346.40700000000004,20.0,3.0,CCC(COP(OC1C=CC=CC=1)OC1C=CC=CC=1)CCCC,3.5968169359155904,2-Ethylhexyl diphenyl phosphite
CCC(COP(OC1C=CC=CC=1)OCCCCCCCC)CCCC,7000.0,3.0,0.0,1.0,382.52500000000015,22.0,3.0,CCC(COP(OC1C=CC=CC=1)OCCCCCCCC)CCCC,3.845098040014257,"Phosphorous acid, 2-ethylhexyl octyl phenyl ester"
CCC(CO[Si](OCC(CC)CC)(OCC(CC)CC)OCC(CC)CC)CC,3500.0,2.0,0.0,1.0,432.76200000000034,24.0,4.0,CCC(CO[Si](OCC(CC)CC)(OCC(CC)CC)OCC(CC)CC)CC,3.5440680443502757,Tetrakis(2-ethylbutyl) orthosilicate
CCC(Cl)(CC)C(=O)OCC(Cl)(Cl)Cl,3500.0,4.0,2.0,0.0,281.99399999999997,8.0,2.0,CCC(Cl)(CC)C(=O)OCC(Cl)(Cl)Cl,3.5440680443502757,"Butyric acid, 2-chloro-2-ethyl-, trichloroethyl ester"
CCC(Cl)Cl,6500.0,1.0,2.0,0.0,112.987,3.0,0.0,CCC(Cl)Cl,3.8129133566428557,"1,1-Dichloropropane"
CCC(N)(CO)CO,4392.0,1.0,2.0,0.0,119.16399999999996,5.0,2.0,CCC(N)(CO)CO,3.6426623314420357,"1,3-Propanediol, 2-amino-2-ethyl-, hydrochloride"
CCC(N)C(O)CCCC,550.0,3.0,1.0,0.0,145.24599999999998,8.0,1.0,CCC(N)C(O)CCCC,2.7403626894942437,"4-Octanol, 3-amino-"
CCC(N)C1C=CC=CC=1,1100.0,3.0,2.0,0.0,135.20999999999998,9.0,0.0,CCC(N)C1C=CC=CC=1,3.041392685158225,(S)-(-)-1-Amino-1-phenylpropane
CCC(N)CC1=CNC2C=CC=CC=21,49.0,4.0,2.0,0.0,188.274,12.0,0.0,CCC(N)CC1=CNC2C=CC=CC=21,1.6901960800285136,Etryptamine acetate
CCC(N)CO,1722.0,1.0,2.0,0.0,89.13799999999999,4.0,1.0,CCC(N)CO,3.236033147117636,CERAPP_18103
CCC(O)=O,4947.0,1.0,2.0,0.0,74.079,3.0,2.0,CCC(O)=O,3.694341910364181,Potassium propionate
CCC(O)CC,1870.0,1.0,2.0,0.0,88.15,5.0,1.0,CCC(O)CC,3.271841606536499,3-Pentanol
CCC(O)CO,10001.0,1.0,2.0,0.0,90.122,4.0,2.0,CCC(O)CO,4.000043427276863,"1,2-Butanediol"
CCC(O)COC1CCCCC1C(C)(C)C,3500.0,4.0,2.0,0.0,228.37599999999995,14.0,2.0,CCC(O)COC1CCCCC1C(C)(C)C,3.5440680443502757,CERAPP_49211
CCC(OC(=N)O)C1=CC=CC=C1Cl,710.0,4.0,2.0,0.0,213.664,10.0,2.0,CCC(OC(=N)O)C1=CC=CC=C1Cl,2.8512583487190755,
CCC1(C(=O)NCNC1=O)C1C=CC=CC=1,1500.0,4.0,2.0,0.0,218.25599999999991,12.0,2.0,CCC1(C(=O)NCNC1=O)C1C=CC=CC=1,3.1760912590556813,Primidone
CCC1(C(C)CCC)C(=O)NC(O)=NC1=O,112.625,4.0,2.0,0.0,226.276,11.0,3.0,CCC1(C(C)CCC)C(=O)NC(O)=NC1=O,2.0516348039871195,Pentobarbital sodium
CCC1(C(C)CCC)C(=O)NC(S)=NC1=O,117.0,4.0,2.0,0.0,242.344,11.0,2.0,CCC1(C(C)CCC)C(=O)NC(S)=NC1=O,2.0681858617461617,Thiopental
CCC1(C)C(=O)N(CC2CO2)C(=O)N1CC1CO1,250.0,4.0,3.0,0.0,254.28599999999992,12.0,4.0,CCC1(C)C(=O)N(CC2CO2)C(=O)N1CC1CO1,2.3979400086720375,"5-Ethyl-1,3-diglycidyl-5-methylhydantoin"
CCC1(C)CC(=O)NC1=O,1820.0,2.0,2.0,0.0,141.17,7.0,2.0,CCC1(C)CC(=O)NC1=O,3.2600713879850747,Ethosuximide
CCC1(C)OC(CO1)COC(=O)C=C,3500.0,4.0,2.0,0.0,200.23399999999995,10.0,4.0,CCC1(C)OC(CO1)COC(=O)C=C,3.5440680443502757,"(2-Ethyl-2-methyl-1,3-dioxolan-4-yl)methyl prop-2-enoate"
CCC1(C)OC2C(=CC=CC=2O/C(/O)=N/C)O1,25.0,4.0,2.0,0.0,237.2549999999999,12.0,4.0,CCC1(C)OC2C(=CC=CC=2O/C(/O)=N/C)O1,1.3979400086720377,
CCC1(C2C=CC=CC=2)C(=O)NC(=O)NC1=O,188.0,4.0,2.0,0.0,232.23899999999995,12.0,3.0,CCC1(C2C=CC=CC=2)C(=O)NC(=O)NC1=O,2.27415784926368,Phenobarbital
CCC1(C2C=CC=CC=2)C(=O)NC(O)=NC1=O,150.0,4.0,2.0,0.0,232.23899999999995,12.0,3.0,CCC1(C2C=CC=CC=2)C(=O)NC(O)=NC1=O,2.1760912590556813,Phenobarbital sodium
CCC1(C2CCCCCC=2)C(=O)NC(=O)NC1=O,7500.0,4.0,3.0,0.0,250.29799999999997,13.0,3.0,CCC1(C2CCCCCC=2)C(=O)NC(=O)NC1=O,3.8750612633917,Heptabarbital
CCC1(CC(O)=O)OCCC2C3C=CC=C(CC)C=3NC1=2,94.0,4.0,3.0,0.0,287.35900000000004,17.0,3.0,CCC1(CC(O)=O)OCCC2C3C=CC=C(CC)C=3NC1=2,1.9731278535996986,Etodolac
CCC1(CC)C(=O)CC=NC1=O,780.0,4.0,2.0,0.0,167.20799999999997,9.0,2.0,CCC1(CC)C(=O)CC=NC1=O,2.8920946026904804,Pyrithyldione
CCC1(CC)C(=O)N2CC3=CC=CC=C3CN2C1=O,2028.0,4.0,3.0,0.0,258.321,15.0,2.0,CCC1(CC)C(=O)N2CC3=CC=CC=C3CN2C1=O,3.3070679506612985,"2,2-Diethyl-2,3,5,10-tetrahydro-1H-pyrazolo(1,2-b)phthalazine-1,3-dione"
CCC1(CC)C(=O)NC(O)=NC1=O,600.0,4.0,2.0,0.0,184.195,8.0,3.0,CCC1(CC)C(=O)NC(O)=NC1=O,2.7781512503836434,Sodium barbital
CCC1(CCC(=O)NC1=O)C1C=CC=CC=1,600.0,4.0,2.0,0.0,217.26799999999992,13.0,2.0,CCC1(CCC(=O)NC1=O)C1C=CC=CC=1,2.7781512503836434,Glutethimide
CCC1(CCC(C)C)C(=O)NC(=O)NC1=O,250.0,4.0,2.0,0.0,226.276,11.0,3.0,CCC1(CCC(C)C)C(=O)NC(=O)NC1=O,2.3979400086720375,Amobarbital
CCC1(CCl)COC1,570.0,1.0,2.0,0.0,134.606,6.0,1.0,CCC1(CCl)COC1,2.7558748556724915,"Oxetane, 3-(chloromethyl)-3-ethyl-"
CCC1(CN(C)CCCC1)C1C=C(O)C=CC=1,1260.0,4.0,2.0,0.0,233.3549999999999,15.0,1.0,CCC1(CN(C)CCCC1)C1C=C(O)C=CC=1,3.100370545117563,Meptazinol hydrochloride
CCC1(CO)CCCN2CCC3C4C=CC=CC=4NC=3C12,1200.0,4.0,3.0,0.0,284.403,18.0,1.0,CCC1(CO)CCCN2CCC3C4C=CC=CC=4NC=3C12,3.0791812460476247,
CCC1(CO)COC1,2751.0,2.0,2.0,0.0,116.15999999999998,6.0,2.0,CCC1(CO)COC1,3.4394905903896835,"3-Oxetanemethanol, 3-ethyl-"
CCC1(CO)COCOC1,2751.0,2.0,2.0,0.0,146.18599999999998,7.0,3.0,CCC1(CO)COCOC1,3.4394905903896835,"(5-Ethyl-1,3-dioxan-5-yl)methanol"
CCC1(COC(=O)C=C)COCOC1,2751.0,4.0,2.0,0.0,200.23399999999995,10.0,4.0,CCC1(COC(=O)C=C)COCOC1,3.4394905903896835,"2-Propenoic acid, (5-ethyl-1,3-dioxan-5-yl)methyl ester"
CCC1(COC(=O)NC1=O)CC,71.0,4.0,2.0,0.0,171.196,8.0,3.0,CCC1(COC(=O)NC1=O)CC,1.8512583487190752,Diethadione
CCC1(O)C2C=C3C4=NC5C=CC=CC=5C=C4CN3C(=O)C=2COC1=O,153.0,4.0,3.0,0.0,348.35800000000006,20.0,4.0,CCC1(O)C2C=C3C4=NC5C=CC=CC=5C=C4CN3C(=O)C=2COC1=O,2.184691430817599,Camptothecin
CCC12CCCN3CCC4=C(C13)N(C(=C2)C(=O)OC1OC(=O)C2=CC=CC=C21)C1=CC=CC=C41,3000.0,4.0,1.0,0.0,454.5260000000003,28.0,4.0,CCC12CCCN3CCC4=C(C13)N(C(=C2)C(=O)OC1OC(=O)C2=CC=CC=C21)C1=CC=CC=C41,3.4771212547196626,
CCC12COCN1COC2,4265.0,2.0,2.0,0.0,143.18599999999998,7.0,2.0,CCC12COCN1COC2,3.629919035503542,"1H,3H,5H-Oxazolo[3,4-c]oxazole, 7a-ethyldihydro-, sulfate (1:1)"
CCC12COP(=O)(OC1)OC2,3.08,3.0,2.0,0.0,178.12399999999997,6.0,4.0,CCC12COP(=O)(OC1)OC2,0.4885507165004443,Etbicyphat
CCC12COP(OC1)OC2,8.39,3.0,2.0,0.0,162.12499999999997,6.0,3.0,CCC12COP(OC1)OC2,0.9237619608287003,CERAPP_61960
CCC1=CC(=C(N=C1)C(O)=O)C(O)=O,3353.0,4.0,2.0,0.0,195.174,9.0,4.0,CCC1=CC(=C(N=C1)C(O)=O)C(O)=O,3.52543355342882,"5-Ethyl-2,3-pyridinedicarboxylic acid"
CCC1=CC2=C(C=C1)C(=O)C1C=CC=CC=1C2=O,3138.0,4.0,2.0,0.0,236.27,16.0,2.0,CCC1=CC2=C(C=C1)C(=O)C1C=CC=CC=1C2=O,3.496652939250918,"2-Ethylanthracene-9,10-dione"
CCC1=CC2=C(C=C1C=O)C(C)(C)CCC2(C)C,3200.0,4.0,1.0,0.0,244.37799999999993,17.0,1.0,CCC1=CC2=C(C=C1C=O)C(C)(C)CCC2(C)C,3.505149978319906,"2-Naphthalenecarboxaldehyde, 3-ethyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-"
CCC1=CC2C(=NCC(=O)N(C)C=2S1)C1=CC=CC=C1Cl,1461.0,4.0,2.0,0.0,318.82899999999995,16.0,1.0,CCC1=CC2C(=NCC(=O)N(C)C=2S1)C1=CC=CC=C1Cl,3.1646502159342966,Clotiazepam
CCC1=CC=C(C=C1)C(=O)C(C)CN1CCCCC1,1002.0,4.0,2.0,0.0,259.3929999999999,17.0,1.0,CCC1=CC=C(C=C1)C(=O)C(C)CN1CCCCC1,3.0008677215312267,Eperisone
CCC1=CC=C(C=C1)C(C(Cl)Cl)C1=CC=C(CC)C=C1,7385.0,3.0,2.0,1.0,307.264,18.0,0.0,CCC1=CC=C(C=C1)C(C(Cl)Cl)C1=CC=C(CC)C=C1,3.8683504996479683,"p,p'-Ethyl-DDD"
CCC1=CC=CC(CC)=C1N,2134.0,3.0,2.0,0.0,149.23699999999997,10.0,0.0,CCC1=CC=CC(CC)=C1N,3.329194415088451,"Benzenamine, 2,6-diethyl-, hydrochloride (1:1)"
CCC1=CC=CC2C(CCO)=CNC=21,1100.0,4.0,2.0,0.0,189.258,12.0,1.0,CCC1=CC=CC2C(CCO)=CNC=21,3.041392685158225,7-Ethyltryptophol
CCC1=NC(N)=NC(N)=C1C1C=CC(Cl)=CC=1,440.0,4.0,2.0,0.0,248.71700000000004,12.0,0.0,CCC1=NC(N)=NC(N)=C1C1C=CC(Cl)=CC=1,2.6434526764861874,Pyrimethamine
CCC1=NCCO1,3472.0,1.0,2.0,0.0,99.133,5.0,1.0,CCC1=NCCO1,3.540579716504454,"Oxazole, 2-ethyl-4,5-dihydro-"
CCC1=NN(C)C(C(=O)NCC2C=CC(=CC=2)C(C)(C)C)=C1Cl,796.0,4.0,2.0,0.0,333.86300000000006,18.0,1.0,CCC1=NN(C)C(C(=O)NCC2C=CC(=CC=2)C(C)(C)C)=C1Cl,2.900913067737669,Tebufenpyrad
CCC1=NN(C2=C1CC=NC2=O)C1=CC=C(F)C=C1,375.0,4.0,3.0,0.0,257.268,14.0,1.0,CCC1=NN(C2=C1CC=NC2=O)C1=CC=C(F)C=C1,2.574031267727719,"7H-Pyrazolo(3,4-c)pyridin-7-one, 1,6-dihydro-3-ethyl-1-(4-fluorophenyl)-"
CCC1C(COC1=O)CC1=CN=CN1C,656.5,4.0,2.0,0.0,208.261,11.0,2.0,CCC1C(COC1=O)CC1=CN=CN1C,2.8172347304254983,"2(3H)-Furanone, 3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-, (3S,4R)-, nitrate (1:1)"
CCC1C2=CC(=CC=C2N=C2C3=CC4=C(COC(=O)C4(O)CC)C(=O)N3CC2=1)OC(=O)N1CCC(CC1)N1CCCCC1,867.0,1.0,1.0,1.0,586.6890000000004,33.0,6.0,CCC1C2=CC(=CC=C2N=C2C3=CC4=C(COC(=O)C4(O)CC)C(=O)N3CC2=1)OC(=O)N1CCC(CC1)N1CCCCC1,2.9380190974762104,Irinotecan hydrochloride
CCC1C=C(C(O)=O)C(=NC=1)C1NC(=O)C(C)(N=1)C(C)C,7500.0,4.0,2.0,0.0,289.335,15.0,3.0,CCC1C=C(C(O)=O)C(=NC=1)C1NC(=O)C(C)(N=1)C(C)C,3.8750612633917,Imazethapyr ammonium
CCC1C=C(C2=CC(=CC=CC2=1)C(C)C)S(O)(=O)=O,1096.0,4.0,2.0,0.0,278.373,15.0,3.0,CCC1C=C(C2=CC(=CC=CC2=1)C(C)C)S(O)(=O)=O,3.0398105541483504,Egualen sodium
CCC1C=C(C=CN=1)C(N)=S,1320.0,4.0,2.0,0.0,166.24900000000002,8.0,0.0,CCC1C=C(C=CN=1)C(N)=S,3.12057393120585,Ethionamide
CCC1C=C(CC)C=C2C(=O)C3=CC=CC=C3SC=12,3500.0,4.0,2.0,0.0,268.381,17.0,1.0,CCC1C=C(CC)C=C2C(=O)C3=CC=CC=C3SC=12,3.5440680443502757,"9H-Thioxanthen-9-one, 2,4-diethyl-"
CCC1C=C(CC2=CC(CC)=C(N)C(CC)=C2)C=C(CC)C=1N,1901.0,4.0,1.0,0.0,310.48500000000007,21.0,0.0,CCC1C=C(CC2=CC(CC)=C(N)C(CC)=C2)C=C(CC)C=1N,3.278982116865443,"4,4'-Methylenebis(2,6-diethylaniline)"
CCC1C=C(CC2=CC(CC)=C(N)C(CC)=C2Cl)C(Cl)=C(CC)C=1N,7500.0,3.0,0.0,1.0,379.37500000000017,21.0,0.0,CCC1C=C(CC2=CC(CC)=C(N)C(CC)=C2Cl)C(Cl)=C(CC)C=1N,3.8750612633917,"Benzenamine, 4,4'-methylenebis[3-chloro-2,6-diethyl-"
CCC1C=CC(C=C)=NC=1,1230.0,3.0,2.0,0.0,133.194,9.0,0.0,CCC1C=CC(C=C)=NC=1,3.089905111439398,"Pyridine, 5-ethyl-2-vinyl-"
CCC1C=CC(CC)=CC=1,2751.0,3.0,2.0,0.0,134.22199999999998,10.0,0.0,CCC1C=CC(CC)=CC=1,3.4394905903896835,"1,4-Diethylbenzene"
CCC1C=CC(CCO)=NC=1,4290.0,3.0,2.0,0.0,151.20899999999995,9.0,1.0,CCC1C=CC(CCO)=NC=1,3.6324572921847245,5-Ethyl-2-pyridineethanol
CCC1C=CC(O)=CC=1,3500.0,1.0,2.0,0.0,122.16699999999996,8.0,1.0,CCC1C=CC(O)=CC=1,3.5440680443502757,"Phenol, 4-ethyl-, sodium salt"
CCC1C=CC=C(CC)C=1N(CC(=O)OCC)C(=O)CCl,2300.0,4.0,2.0,0.0,311.8090000000001,16.0,3.0,CCC1C=CC=C(CC)C=1N(CC(=O)OCC)C(=O)CCl,3.361727836017593,Diethatyl-ethyl
CCC1C=CC=CC=1,3990.0,1.0,2.0,0.0,106.16799999999996,8.0,0.0,CCC1C=CC=CC=1,3.6009728956867484,Ethylbenzene
CCC1C=CC=CC=1N,1260.0,3.0,2.0,0.0,121.18299999999998,8.0,0.0,CCC1C=CC=CC=1N,3.100370545117563,2-Ethylaniline
CCC1CC2C3CCC4=CC(=O)CCC4C3CCC2(C)C1O,10001.0,4.0,2.0,0.0,302.45799999999997,20.0,2.0,CCC1CC2C3CCC4=CC(=O)CCC4C3CCC2(C)C1O,4.000043427276863,Oxendolone
CCC1CCC(=O)O1,7500.0,1.0,2.0,0.0,114.144,6.0,2.0,CCC1CCC(=O)O1,3.8750612633917,gamma-Caprolactone
CCC1CCC(CC)O1,3400.0,2.0,2.0,0.0,128.215,8.0,1.0,CCC1CCC(CC)O1,3.531478917042255,"Furan, 2,5-diethyltetrahydro-"
CCC1CCCC(OC2CCC(C(C)O2)N(C)C)C(C)C(=O)C2=CC3C(C=CC4CC(CC43)OC3OC(C)C(OC)C(OC)C3OC)C2CC(=O)O1,3738.0,1.0,0.0,4.0,731.9680000000001,41.0,10.0,CCC1CCCC(OC2CCC(C(C)O2)N(C)C)C(C)C(=O)C2=CC3C(C=CC4CC(CC43)OC3OC(C)C(OC)C(OC)C3OC)C2CC(=O)O1,3.572639297042813,Spinosyn A
CCC1CCCCC1,3500.0,2.0,2.0,0.0,112.216,8.0,0.0,CCC1CCCCC1,3.5440680443502757,Ethylcyclohexane
CCC1CN2CCC3C=C(OC)C(=CC=3C2CC1CC1NCCC2=CC(OC)=C(C=C21)OC)OC,0.01,1.0,0.0,0.0,480.64900000000034,29.0,4.0,CCC1CN2CCC3C=C(OC)C(=CC=3C2CC1CC1NCCC2=CC(OC)=C(C=C21)OC)OC,-2.0,Emetine
CCC1CO1,1034.0,1.0,2.0,0.0,72.107,4.0,1.0,CCC1CO1,3.0145205387579237,"1,2-Epoxybutane"
CCC1COC(=O)O1,7500.0,1.0,2.0,0.0,116.116,5.0,3.0,CCC1COC(=O)O1,3.8750612633917,Butylene carbonate
CCC1COC(CN2C=NC=N2)(O1)C1C=CC(Cl)=CC=1Cl,1343.0,4.0,3.0,0.0,328.19900000000007,14.0,2.0,CCC1COC(CN2C=NC=N2)(O1)C1C=CC(Cl)=CC=1Cl,3.1280760126687155,Etaconazole
CCC1COP(=S)(Cl)OC1CCC,300.0,4.0,1.0,0.0,242.70799999999997,8.0,2.0,CCC1COP(=S)(Cl)OC1CCC,2.4771212547196626,
CCC1CSC(S)N=1,35.0,2.0,2.0,0.0,147.26799999999997,5.0,0.0,CCC1CSC(S)N=1,1.5440680443502757,"4-Ethyl-2,3-dihydro-1,3-thiazole-2-thiol"
CCC1N=C(O)C2C=C(N)C=CC=2O1,1890.0,4.0,2.0,0.0,192.21799999999996,10.0,2.0,CCC1N=C(O)C2C=C(N)C=CC=2O1,3.2764618041732443,
CCC1N=CC(C)=NC=1C,456.0,3.0,2.0,0.0,136.19799999999998,8.0,0.0,CCC1N=CC(C)=NC=1C,2.658964842664435,"Pyrazine, 2-ethyl-3,5-dimethyl-"
CCC1NC(=O)C2C(Cl)C(Cl)CN2C(=O)C(CO)NC(=O)CC(NC(=O)C(CO)NC1=O)C1C=CC=CC=1,5.0,1.0,2.0,1.0,572.4460000000003,24.0,7.0,CCC1NC(=O)C2C(Cl)C(Cl)CN2C(=O)C(CO)NC(=O)CC(NC(=O)C(CO)NC1=O)C1C=CC=CC=1,0.6989700043360189,Cyclochlorotine
CCC1NC=CN=1,1400.0,1.0,2.0,0.0,96.13299999999998,5.0,0.0,CCC1NC=CN=1,3.146128035678238,"1H-Imidazole, 2-ethyl-"
CCC1NS(=O)(=O)C2C=C(C(Cl)=CC=2N1)S(N)(=O)=O,10000.0,4.0,3.0,0.0,325.799,9.0,4.0,CCC1NS(=O)(=O)C2C=C(C(Cl)=CC=2N1)S(N)(=O)=O,4.0,Ethiazide
CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(C)(CC(C)C(=O)C(C)C(O)C1(C)O)OC,1270.0,1.0,1.0,3.0,747.9640000000002,38.0,13.0,CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(C)(CC(C)C(=O)C(C)C(O)C1(C)O)OC,3.103803720955957,Clarithromycin
CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(C)(O)CC(C)C(=NOCOCCOC)C(C)C(O)C1(C)O,830.0,1.0,1.0,3.0,837.058,41.0,15.0,CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(C)(O)CC(C)C(=NOCOCCOC)C(C)C(O)C1(C)O,2.9190780923760737,Roxithromycin
CCC1OC2=CC=CC=C2C=1C(=O)C1=CC(Br)=C(O)C(Br)=C1,248.0,4.0,1.0,1.0,424.088,17.0,3.0,CCC1OC2=CC=CC=C2C=1C(=O)C1=CC(Br)=C(O)C(Br)=C1,2.3944516808262164,Benzbromarone
CCC1OC2=CC=CC=C2C=1C(=O)C1C=CC(O)=CC=1,10001.0,4.0,2.0,0.0,266.29599999999994,17.0,3.0,CCC1OC2=CC=CC=C2C=1C(=O)C1C=CC(O)=CC=1,4.000043427276863,"Methanone, (2-ethyl-3-benzofuranyl)(4-hydroxyphenyl)-"
CCC1OC=CC(=O)C1=O,1185.0,1.0,2.0,0.0,140.13799999999998,7.0,3.0,CCC1OC=CC(=O)C1=O,3.0737183503461227,2-Ethyl-3-hydroxy-4H-pyran-4-one
CCC1OP(=S)(Cl)OC2CCCCC21,140.0,4.0,2.0,0.0,254.71899999999997,9.0,2.0,CCC1OP(=S)(Cl)OC2CCCCC21,2.146128035678238,
CCC=C,4000.0,1.0,2.0,0.0,56.10799999999999,4.0,0.0,CCC=C,3.6020599913279625,1-Butene
CCC=C1OC(=O)C2=CC=CC=C21,1650.0,4.0,2.0,0.0,174.19899999999998,11.0,2.0,CCC=C1OC(=O)C2=CC=CC=C21,3.2174839442139063,3-Propylidenephthalide
CCC=CC#N,278.0,1.0,2.0,0.0,81.11800000000001,5.0,0.0,CCC=CC#N,2.444044795918076,(2Z)-2-Pentenenitrile
CCC=CC=CC=O,1150.0,1.0,2.0,0.0,110.15599999999998,7.0,1.0,CCC=CC=CC=O,3.060697840353612,"2,4-Heptadienal"
CCC=CC=CCCCCCCCCOC(C)=O,1000.0,4.0,1.0,0.0,252.3979999999999,16.0,2.0,CCC=CC=CCCCCCCCCOC(C)=O,3.0,"9,11-Tetradecadien-1-ol, 1-acetate, (9Z,11E)-"
CCC=CCC(=O)OCCC=CCC,2751.0,4.0,1.0,0.0,196.29,12.0,2.0,CCC=CCC(=O)OCCC=CCC,3.4394905903896835,"3-Hexenoic acid, (3Z)-3-hexen-1-yl ester, (3Z)-"
CCC=CCC(C)OC(=O)C1C=CC=CC=1O,2751.0,4.0,1.0,0.0,234.295,14.0,3.0,CCC=CCC(C)OC(=O)C1C=CC=CC=1O,3.4394905903896835,"Benzoic acid, 2-hydroxy-, (3Z)-1-methyl-3-hexen-1-yl ester"
CCC=CCCC1(C)CCC(=O)O1,7500.0,4.0,2.0,0.0,182.263,11.0,2.0,CCC=CCCC1(C)CCC(=O)O1,3.8750612633917,(Z)-5-Hex-3-enyldihydro-5-methylfuran-2(3H)-one
CCC=CCCC=CC=C,7500.0,3.0,2.0,0.0,136.238,10.0,0.0,CCC=CCCC=CC=C,3.8750612633917,"Alkenes, C10-rich C9-11"
CCC=CCCCCCCCC(=O)OC,2751.0,4.0,0.0,0.0,212.33299999999997,13.0,2.0,CCC=CCCCCCCCC(=O)OC,3.4394905903896835,"9-Dodecenoic acid, methyl ester"
CCC=CCCCCCCCCOC(C)=O,7500.0,4.0,0.0,0.0,226.35999999999996,14.0,2.0,CCC=CCCCCCCCCOC(C)=O,3.8750612633917,(Z)-9-Dodecen-1-ol acetate
CCC=CCCOC(=O)C(C)C,7500.0,4.0,1.0,0.0,170.252,10.0,2.0,CCC=CCCOC(=O)C(C)C,3.8750612633917,(3Z)-Hex-3-en-1-yl 2-methylpropanoate
CCC=CCCOC(=O)C1C=CC=CC=1,7500.0,4.0,2.0,0.0,204.26900000000003,13.0,2.0,CCC=CCCOC(=O)C1C=CC=CC=1,3.8750612633917,(3Z)-Hex-3-en-1-yl benzoate
CCC=CCCOC(=O)C1C=CC=CC=1O,3183.0,4.0,2.0,0.0,220.26800000000003,13.0,3.0,CCC=CCCOC(=O)C1C=CC=CC=1O,3.502836638621003,(3Z)-Hex-3-en-1-yl salicylate
CCC=CCCOC(=O)C1CC1,3500.0,4.0,2.0,0.0,168.236,10.0,2.0,CCC=CCCOC(=O)C1CC1,3.5440680443502757,(3Z)-Hex-3-en-1-yl cyclopropanecarboxylate
CCC=CCCOC(=O)CC1C=CC=CC=1,7500.0,4.0,2.0,0.0,218.296,14.0,2.0,CCC=CCCOC(=O)CC1C=CC=CC=1,3.8750612633917,"Benzeneacetic acid, (3Z)-3-hexen-1-yl ester"
CCC=CCCOC(C)=O,4001.0,3.0,2.0,0.0,142.198,8.0,2.0,CCC=CCCOC(C)=O,3.6021685513789974,(3Z)-3-Hexenyl acetate
CCC=CCCOC=O,7500.0,2.0,2.0,0.0,128.171,7.0,2.0,CCC=CCCOC=O,3.8750612633917,(3Z)-Hex-3-en-1-yl formate
CCC=CCCOCC(C)=C,2751.0,3.0,1.0,0.0,154.25299999999996,10.0,1.0,CCC=CCCOCC(C)=C,3.4394905903896835,(3Z)-1-[(2-Methylprop-2-en-1-yl)oxy]hex-3-ene
CCC=CCCOCC=O,4100.0,3.0,2.0,0.0,142.198,8.0,2.0,CCC=CCCOCC=O,3.6127838567197355,"Acetaldehyde, [(3Z)-3-hexen-1-yloxy]-"
CCC=O,1573.0,1.0,2.0,0.0,58.08,3.0,1.0,CCC=O,3.196728722623287,Propanal
CCCBr,3036.0,1.0,2.0,0.0,122.993,3.0,0.0,CCCBr,3.4823017672234426,1-Bromopropane
CCCC#N,182.0,1.0,2.0,0.0,69.107,4.0,0.0,CCCC#N,2.2600713879850747,Butanenitrile
CCCC(=NOCC)C1C(=O)CC(CC1=O)C1CSCCC1,3940.0,4.0,2.0,0.0,325.47400000000005,17.0,3.0,CCCC(=NOCC)C1C(=O)CC(CC1=O)C1CSCCC1,3.595496221825574,Cycloxydim
CCCC(=O)C(CC1C=CC=CC=1)CC,4400.0,4.0,0.0,0.0,204.313,14.0,1.0,CCCC(=O)C(CC1C=CC=CC=1)CC,3.6434526764861874,CERAPP_33067
CCCC(=O)C1=CC(O)=C(N)C=C1,3500.0,4.0,2.0,0.0,179.21899999999997,10.0,2.0,CCCC(=O)C1=CC(O)=C(N)C=C1,3.5440680443502757,"1-Butanone, 1-(4-amino-3-hydroxyphenyl)-"
CCCC(=O)C1=CC2OC(=O)N(C)C=2C=C1,3500.0,4.0,2.0,0.0,219.23999999999995,12.0,3.0,CCCC(=O)C1=CC2OC(=O)N(C)C=2C=C1,3.5440680443502757,"2(3H)-Benzoxazolone, 3-methyl-6-(1-oxobutyl)-"
CCCC(=O)C1=CC2OCC(=O)N(C)C=2C=C1,3500.0,4.0,2.0,0.0,233.2669999999999,13.0,3.0,CCCC(=O)C1=CC2OCC(=O)N(C)C=2C=C1,3.5440680443502757,"2H-1,4-Benzoxazin-3(4H)-one, 4-methyl-7-(1-oxobutyl)-"
CCCC(=O)C1C=CC(N)=CC=1,84.0,4.0,2.0,0.0,163.21999999999997,10.0,1.0,CCCC(=O)C1C=CC(N)=CC=1,1.9242792860618816,"1-Butanone, 1-(4-aminophenyl)-"
CCCC(=O)CCC,3730.0,2.0,2.0,0.0,114.188,7.0,1.0,CCCC(=O)CCC,3.571708831808688,4-Heptanone
CCCC(=O)Cl,1235.0,1.0,2.0,0.0,106.552,4.0,1.0,CCCC(=O)Cl,3.0916669575956846,Butyryl chloride
CCCC(=O)N(C)C(=O)OC1=CC=CC2OC(C)(C)OC=21,1000.0,4.0,3.0,0.0,293.319,15.0,5.0,CCCC(=O)N(C)C(=O)OC1=CC=CC2OC(C)(C)OC=21,3.0,"Carbamic acid, methyl(1-oxobutyl)-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester"
CCCC(=O)N(CSP(=S)(OC)OC)C1=CC=CC=C1Cl,39.0,4.0,0.0,0.0,367.86,13.0,3.0,CCCC(=O)N(CSP(=S)(OC)OC)C1=CC=CC=C1Cl,1.591064607026499,Fosmethilan
CCCC(=O)N1CCCN(CC1)C1=NC2C=C(OC)C(=CC=2C(N)=N1)OC,980.0,4.0,1.0,0.0,373.45700000000016,19.0,3.0,CCCC(=O)N1CCCN(CC1)C1=NC2C=C(OC)C(=CC=2C(N)=N1)OC,2.9912260756924947,Bunazosin hydrochloride
CCCC(=O)N1CCN(CC=CC2C=CC=CC=2)CC1,545.0,4.0,3.0,0.0,272.3920000000001,17.0,1.0,CCCC(=O)N1CCN(CC=CC2C=CC=CC=2)CC1,2.7363965022766426,
CCCC(=O)OC,7500.0,1.0,2.0,0.0,102.13299999999998,5.0,2.0,CCCC(=O)OC,3.8750612633917,Methyl butyrate
CCCC(=O)OC(=O)CCC,8790.0,3.0,2.0,0.0,158.19699999999995,8.0,3.0,CCCC(=O)OC(=O)CCC,3.9439888750737717,Butanoic anhydride
CCCC(=O)OC(C(Cl)(Cl)Cl)P(=O)(OC)OC,1025.0,4.0,1.0,0.0,327.5280000000001,8.0,5.0,CCCC(=O)OC(C(Cl)(Cl)Cl)P(=O)(OC)OC,3.010723865391773,Butonate
CCCC(=O)OC(C)(C)CC1C=CC=CC=1,7500.0,4.0,1.0,0.0,220.312,14.0,2.0,CCCC(=O)OC(C)(C)CC1C=CC=CC=1,3.8750612633917,"1,1-Dimethyl-2-phenylethyl butanoate"
CCCC(=O)OC(OC(=O)CCC)OC(=O)CCC,3200.0,4.0,2.0,0.0,274.313,13.0,6.0,CCCC(=O)OC(OC(=O)CCC)OC(=O)CCC,3.505149978319906,Glycerol tributyrate
CCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C)C(=O)CO,3000.0,4.0,1.0,0.0,432.5570000000002,25.0,6.0,CCCC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C)C(=O)CO,3.4771212547196626,Hydrocortisone 17-butyrate
CCCC(=O)OC1CCC(CC1)N1CCCCC1,1910.0,4.0,3.0,0.0,253.38599999999988,15.0,2.0,CCCC(=O)OC1CCC(CC1)N1CCCCC1,3.2810333672477277,"Butanoic acid, 4-(1-piperidinyl)cyclohexyl ester (9CI)"
CCCC(=O)OC=C,8530.0,1.0,2.0,0.0,114.144,6.0,2.0,CCCC(=O)OC=C,3.930949031167523,"Butanoic acid, ethenyl ester"
CCCC(=O)OCC(C)C,7500.0,3.0,2.0,0.0,144.21399999999997,8.0,2.0,CCCC(=O)OCC(C)C,3.8750612633917,Isobutyl butyrate
CCCC(=O)OCC1C=CC=CC=1,2333.0,4.0,2.0,0.0,178.231,11.0,2.0,CCCC(=O)OCC1C=CC=CC=1,3.3679147387937527,Benzyl butyrate
CCCC(=O)OCC=C,234.0,2.0,2.0,0.0,128.171,7.0,2.0,CCCC(=O)OCC=C,2.369215857410143,Allyl butyrate
CCCC(=O)OCC=CC1C=CC=CC=1,5000.0,4.0,2.0,0.0,204.269,13.0,2.0,CCCC(=O)OCC=CC1C=CC=CC=1,3.6989700043360187,"Butanoic acid, 3-phenyl-2-propenyl ester"
CCCC(=O)OCCC(C)C,6251.0,3.0,1.0,0.0,158.241,9.0,2.0,CCCC(=O)OCCC(C)C,3.7959494989028033,Isopentyl butyrate
CCCC(=O)OCCC1C=CC=CC=1,4600.0,4.0,2.0,0.0,192.258,12.0,2.0,CCCC(=O)OCCC1C=CC=CC=1,3.662757831681574,2-Phenylethyl butanoate
CCCC(=O)OCCCCC,10001.0,3.0,1.0,0.0,158.24099999999996,9.0,2.0,CCCC(=O)OCCCCC,4.000043427276863,Pentyl butyrate
CCCC(=O)OCCCCCC,7500.0,4.0,1.0,0.0,172.26799999999997,10.0,2.0,CCCC(=O)OCCCCCC,3.8750612633917,Hexyl butyrate
CCCC(C(=O)OCCN(CC)CC)(C1C=CC=CC=1)C1C=CC=CC=1,2140.0,4.0,0.0,0.0,353.50600000000003,23.0,2.0,CCCC(C(=O)OCCN(CC)CC)(C1C=CC=CC=1)C1C=CC=CC=1,3.330413773349191,Proadifen
CCCC(C)(C)C(=O)NC1C=CC(Cl)=CC=1,2600.0,4.0,1.0,0.0,239.746,13.0,1.0,CCCC(C)(C)C(=O)NC1C=CC(Cl)=CC=1,3.4149733479708178,Monalide
CCCC(C)(COC(N)=O)COC(=O)NC(C)C,1320.0,4.0,2.0,0.0,260.334,12.0,4.0,CCCC(C)(COC(N)=O)COC(=O)NC(C)C,3.12057393120585,Carisoprodol
CCCC(C)(COC(N)=O)COC(N)=O,1470.0,4.0,1.0,0.0,218.25299999999996,9.0,4.0,CCCC(C)(COC(N)=O)COC(N)=O,3.167317334748176,Meprobamate
CCCC(C)=O,2200.0,1.0,2.0,0.0,86.13399999999999,5.0,1.0,CCCC(C)=O,3.342422680822206,2-Pentanone
CCCC(C)C,10001.0,2.0,2.0,0.0,86.178,6.0,0.0,CCCC(C)C,4.000043427276863,2-Methylpentane
CCCC(C)C(O)=O,2040.0,2.0,2.0,0.0,116.15999999999998,6.0,2.0,CCCC(C)C(O)=O,3.3096301674258988,2-Methylpentanoic acid
CCCC(C)C1(CC=C)C(=O)NC(O)=NC1=O,125.0,4.0,2.0,0.0,238.287,12.0,3.0,CCCC(C)C1(CC=C)C(=O)NC(O)=NC1=O,2.0969100130080562,"Secobarbital, sodium salt"
CCCC(C)C1=CC(=CC=C1)OC(=O)NC,64.0,4.0,2.0,0.0,221.3,13.0,2.0,CCCC(C)C1=CC(=CC=C1)OC(=O)NC,1.806179973983887,m-(1-Methylbutyl)phenyl methylcarbamate
CCCC(C)C=O,3200.0,1.0,2.0,0.0,100.161,6.0,1.0,CCCC(C)C=O,3.505149978319906,2-Methylpentanal
CCCC(C)CC(=O)OC,7400.0,3.0,2.0,0.0,144.214,8.0,2.0,CCCC(C)CC(=O)OC,3.8692317197309762,2-Methylpentyl acetate
CCCC(C)CO,1410.0,2.0,2.0,0.0,102.177,6.0,1.0,CCCC(C)CO,3.1492191126553797,2-Methyl-1-pentanol
CCCC(C)O,3500.0,1.0,2.0,0.0,88.14999999999999,5.0,1.0,CCCC(C)O,3.5440680443502757,Pentan-2-ol
CCCC(CC1C=CC=CC=1)N1CCCC1,157.0,4.0,2.0,0.0,217.3559999999999,15.0,0.0,CCCC(CC1C=CC=CC=1)N1CCCC1,2.1958996524092336,
CCCC(CCC)C#N,1150.0,2.0,2.0,0.0,125.215,8.0,0.0,CCCC(CCC)C#N,3.060697840353612,2-Propylvaleronitrile
CCCC(CCC)C(N)=O,890.0,3.0,2.0,0.0,143.23000000000002,8.0,1.0,CCCC(CCC)C(N)=O,2.949390006644913,Valpromide
CCCC(CCC)C(O)=O,1281.0,3.0,2.0,0.0,144.214,8.0,2.0,CCCC(CCC)C(O)=O,3.1075491297446862,Valproic acid
CCCC(CN1C=NC=N1)C1C=CC(Cl)=CC=1Cl,1891.0,4.0,2.0,0.0,284.19,13.0,0.0,CCCC(CN1C=NC=N1)C1C=CC(Cl)=CC=1Cl,3.27669152884504,Penconazole
CCCC(CO)CCCCC,5400.0,3.0,1.0,0.0,158.28499999999997,10.0,1.0,CCCC(CO)CCCCC,3.7323937598229686,2-Propyl-1-heptanol
CCCC(N)(CCC)CCC,135.0,3.0,1.0,0.0,157.301,10.0,0.0,CCCC(N)(CCC)CCC,2.130333768495006,Diprobutine
CCCC(O)=O,2437.0,1.0,2.0,0.0,88.10599999999998,4.0,2.0,CCCC(O)=O,3.386855529184724,"Butanoic acid, ammonium salt (1:1)"
CCCC(O)C#C,126.0,1.0,2.0,0.0,98.145,6.0,1.0,CCCC(O)C#C,2.100370545117563,Hex-1-yn-3-ol
CCCC(O)CO,10001.0,1.0,2.0,0.0,104.149,5.0,2.0,CCCC(O)CO,4.000043427276863,CERAPP_31757
CCCC1(CC(O)=O)OCCC2C3C=CC=CC=3NC1=2,1420.0,4.0,3.0,0.0,273.332,16.0,3.0,CCCC1(CC(O)=O)OCCC2C3C=CC=CC=3NC1=2,3.1522883443830563,
CCCC1(CCN(C)CC1C)C1C=CC=C(O)C=1,887.0,4.0,2.0,0.0,247.38199999999995,16.0,1.0,CCCC1(CCN(C)CC1C)C1C=CC=C(O)C=1,2.9479236198317262,
CCCC1=C(CC2C=CC(=CC=2)C2=CC=CC=C2C2=NNN=N2)C(NCCN2CCOCC2)=NC2=NC=NN21,300.0,1.0,1.0,1.0,524.6330000000003,28.0,1.0,CCCC1=C(CC2C=CC(=CC=2)C2=CC=CC=C2C2=NNN=N2)C(NCCN2CCOCC2)=NC2=NC=NN21,2.4771212547196626,"(1,2,4)Triazolo(1,5-a)pyrimidin-5-amine, N-(2-(4-morpholinyl)ethyl)-7-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-"
CCCC1=C(CC2C=CC(=CC=2)C2=CC=CC=C2C2N=NNN=2)C(=NC2=NC=NN21)N1CCCC1,300.0,3.0,0.0,0.0,465.5650000000002,26.0,0.0,CCCC1=C(CC2C=CC(=CC=2)C2=CC=CC=C2C2N=NNN=2)C(=NC2=NC=NN21)N1CCCC1,2.4771212547196626,"(1,2,4)Triazolo(1,5-a)pyrimidine, 7-propyl-5-(1-pyrrolidinyl)-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)4-yl)methyl)-"
CCCC1=C(CC2C=CC(=CC=2)C2=CC=CC=C2C2N=NNN=2)C(=NC2=NC=NN21)N1CCCCC1,300.0,3.0,0.0,0.0,479.5920000000002,27.0,0.0,CCCC1=C(CC2C=CC(=CC=2)C2=CC=CC=C2C2N=NNN=2)C(=NC2=NC=NN21)N1CCCCC1,2.4771212547196626,"(1,2,4)Triazolo(1,5-a)pyrimidine, 5-(1-piperidinyl)-7-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-"
CCCC1=C(CC2C=CC(=CC=2)C2=CC=CC=C2C2N=NNN=2)C(=O)N=C2N=C(CC)NN12,300.0,4.0,1.0,0.0,440.51100000000014,24.0,1.0,CCCC1=C(CC2C=CC(=CC=2)C2=CC=CC=C2C2N=NNN=2)C(=O)N=C2N=C(CC)NN12,2.4771212547196626,"(1,2,4)Triazolo(1,5-a)pyrimidin-5(1H)-one, 2-ethyl-7-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-"
CCCC1=C(CC2C=CC(=CC=2)C2=CC=CC=C2C2N=NNN=2)C(N)=NC2=NC=NN12,300.0,4.0,1.0,0.0,411.47300000000007,22.0,0.0,CCCC1=C(CC2C=CC(=CC=2)C2=CC=CC=C2C2N=NNN=2)C(N)=NC2=NC=NN12,2.4771212547196626,"(1,2,4)Triazolo(1,5-a)pyrimidin-5-amine, 7-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-"
CCCC1=C(CC2C=CC(=CC=2)C2OC(Br)=CC=2C2=NNN=N2)C(=O)N=C2N=CNN12,300.0,3.0,2.0,0.0,481.3140000000001,20.0,2.0,CCCC1=C(CC2C=CC(=CC=2)C2OC(Br)=CC=2C2=NNN=N2)C(=O)N=C2N=CNN12,2.4771212547196626,"(1,2,4)Triazolo(1,5-a)pyrimidin-5(1H)-one, 6-((4-(5-bromo-3-(1H-tetrazol-5-yl)-2-furanyl)phenyl)methyl)-7-propyl-"
CCCC1=CC(=CC=N1)C(N)=S,1320.0,4.0,2.0,0.0,180.276,9.0,0.0,CCCC1=CC(=CC=N1)C(N)=S,3.12057393120585,Prothionamide
CCCC1=CC(OC)=C(O)C=C1,2600.0,4.0,2.0,0.0,166.21999999999997,10.0,2.0,CCCC1=CC(OC)=C(O)C=C1,3.4149733479708178,2-Methoxy-4-propylphenol
CCCC1=CC2OCOC=2C=C1,2260.0,4.0,2.0,0.0,164.20399999999995,10.0,2.0,CCCC1=CC2OCOC=2C=C1,3.3541084391474008,Dihydrosafrole
CCCC1=CC2OCOC=2C=C1COCCOCCOCCCC,5890.0,4.0,1.0,0.0,338.44400000000013,19.0,5.0,CCCC1=CC2OCOC=2C=C1COCCOCCOCCCC,3.7701152947871015,Piperonyl butoxide
CCCC1=CC=C(C=C1)C=O,1600.0,3.0,2.0,0.0,148.20499999999998,10.0,1.0,CCCC1=CC=C(C=C1)C=O,3.2041199826559246,"Benzaldehyde, 4-propyl-"
CCCC1=CC=C(C=C1)OC,4400.0,3.0,2.0,0.0,150.22099999999998,10.0,1.0,CCCC1=CC=C(C=C1)OC,3.6434526764861874,4-Propylanisole
CCCC1=CC=C(O)C=C1,500.0,3.0,2.0,0.0,136.19399999999996,9.0,1.0,CCCC1=CC=C(O)C=C1,2.6989700043360187,4-Propylphenol
CCCC1=NC2=CC=NN2C(=C1CC1C=CC(=CC=1)C1=CC=CC=C1C1=NNN=N1)N1CCOCC1,300.0,2.0,0.0,0.0,480.57600000000014,27.0,1.0,CCCC1=NC2=CC=NN2C(=C1CC1C=CC(=CC=1)C1=CC=CC=C1C1=NNN=N1)N1CCOCC1,2.4771212547196626,"Pyrazolo(1,5-a)pyrimidine, 7-(4-morpholinyl)-5-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-, monohydrochloride"
CCCC1=NC2=CC=NN2C(CCC)=C1CC1C=CC(=CC=1)C1=CC=CC=C1C1=NNN=N1,300.0,4.0,0.0,1.0,437.551,26.0,0.0,CCCC1=NC2=CC=NN2C(CCC)=C1CC1C=CC(=CC=1)C1=CC=CC=C1C1=NNN=N1,2.4771212547196626,"Pyrazolo(1,5-a)pyrimidine, 5,7-dipropyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-"
CCCC1=NC2=NC=NN2C(=C1CC1C=CC(=CC=1)C1=CC=CC=C1C1=NNN=N1)N(CC)CC,300.0,3.0,0.0,0.0,467.5810000000001,26.0,0.0,CCCC1=NC2=NC=NN2C(=C1CC1C=CC(=CC=1)C1=CC=CC=C1C1=NNN=N1)N(CC)CC,2.4771212547196626,"(1,2,4)Triazolo(1,5-a)pyrimidin-7-amine, N,N-diethyl-5-propyl-6-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)-"
CCCC1=NN(C(=O)C1C=O)C1C=CC=CC=1,765.0,4.0,2.0,0.0,230.267,13.0,2.0,CCCC1=NN(C(=O)C1C=O)C1C=CC=CC=1,2.8836614351536176,
CCCC1C(CC)=CC(CC)=CN1C1C=CC=CC=1,1250.0,4.0,1.0,1.0,255.405,18.0,0.0,CCCC1C(CC)=CC(CC)=CN1C1C=CC=CC=1,3.0969100130080562,"3,5-Diethyl-1-phenyl-2-propyl-1,2-dihydropyridine"
CCCC1C2CC(C=C2)C1C=O,4600.0,4.0,2.0,0.0,164.248,11.0,1.0,CCCC1C2CC(C=C2)C1C=O,3.662757831681574,CERAPP_39979
CCCC1C=CC(=CC=1)C1CCC(CCCCC)CC1,7500.0,3.0,1.0,1.0,272.47600000000006,20.0,0.0,CCCC1C=CC(=CC=1)C1CCC(CCCCC)CC1,3.8750612633917,"Benzene, 1-(trans-4-pentylcyclohexyl)-4-propyl-"
CCCC1C=CC=CC=1,6040.0,3.0,2.0,0.0,120.19499999999996,9.0,0.0,CCCC1C=CC=CC=1,3.7810369386211318,Propylbenzene
CCCC1C=CC=CC=1O,500.0,3.0,2.0,0.0,136.19399999999996,9.0,1.0,CCCC1C=CC=CC=1O,2.6989700043360187,2-Propylphenol
CCCC1CC(=O)NC(=S)N=1,1615.0,4.0,2.0,0.0,170.237,7.0,1.0,CCCC1CC(=O)NC(=S)N=1,3.2081725266671217,6-Propyl-2-thiouracil
CCCC1CC(C)(CCO1)OC(C)=O,4500.0,4.0,2.0,0.0,200.27799999999996,11.0,3.0,CCCC1CC(C)(CCO1)OC(C)=O,3.6532125137753435,"2H-Pyran-4-ol, tetrahydro-4-methyl-2-propyl-, 4-acetate"
CCCC1CCC(=O)O1,7500.0,2.0,2.0,0.0,128.171,7.0,2.0,CCCC1CCC(=O)O1,3.8750612633917,"1,4-Heptanolide"
CCCC1CCC(CC1)C1C=CC(O)=CC=1,2751.0,4.0,1.0,0.0,218.33999999999995,15.0,1.0,CCCC1CCC(CC1)C1C=CC(O)=CC=1,3.4394905903896835,4-(4-trans-propylcylohexyl)phenol
CCCC1CCCC(=O)O1,7500.0,2.0,2.0,0.0,142.198,8.0,2.0,CCCC1CCCC(=O)O1,3.8750612633917,delta-Octanolactone
CCCC1CO1,1460.0,1.0,2.0,0.0,86.134,5.0,1.0,CCCC1CO1,3.164352855784437,"Oxirane, 2-propyl-"
CCCC1COC(CN2C=NC=N2)(O1)C1C=CC(Cl)=CC=1Cl,1508.5,4.0,2.0,0.0,342.2260000000001,15.0,2.0,CCCC1COC(CN2C=NC=N2)(O1)C1C=CC(Cl)=CC=1Cl,3.178545314511007,Propiconazole
CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC3(C)C2(O1)C(=O)CO,3200.0,4.0,1.0,0.0,430.5410000000002,25.0,6.0,CCCC1OC2CC3C4CCC5=CC(=O)C=CC5(C)C4C(O)CC3(C)C2(O1)C(=O)CO,3.505149978319906,Budesonide
CCCC=C,4777.0,1.0,2.0,0.0,70.13499999999999,5.0,0.0,CCCC=C,3.679155241283354,1-Pentene
CCCC=C(CC)C=NCCCCCCCCCCCCCCCCCCCCC,5320.0,1.0,0.0,1.0,419.7820000000004,29.0,0.0,CCCC=C(CC)C=NCCCCCCCCCCCCCCCCCCCCC,3.7259116322950483,
CCCC=C(CC)C=O,4210.0,2.0,2.0,0.0,126.19899999999998,8.0,1.0,CCCC=C(CC)C=O,3.6242820958356683,2-Ethyl-2-hexenal
CCCC=C1OC(=O)C2C=CC=CC=21,1850.0,4.0,2.0,0.0,188.226,12.0,2.0,CCCC=C1OC(=O)C2C=CC=CC=21,3.2671717284030137,"1(3H)-Isobenzofuranone, 3-butylidene-"
CCCC=CC(OC)OC,1700.0,3.0,1.0,0.0,144.21399999999997,8.0,2.0,CCCC=CC(OC)OC,3.230448921378274,"2-Hexene, 1,1-dimethoxy-, (2E)-"
CCCC=CC(OCC)OCC,860.0,4.0,1.0,0.0,172.26799999999997,10.0,2.0,CCCC=CC(OCC)OCC,2.934498451243568,"2-Hexene, 1,1-diethoxy-, (2E)-"
CCCC=CC=O,780.0,1.0,2.0,0.0,98.14499999999998,6.0,1.0,CCCC=CC=O,2.8920946026904804,(2E)-2-Hexenal
CCCC=CCC1CCCC1=O,7500.0,4.0,2.0,0.0,166.26399999999998,11.0,1.0,CCCC=CCC1CCCC1=O,3.8750612633917,"Cyclopentanone, 2-(2-hexen-1-yl)-"
CCCC=CCO,3500.0,1.0,2.0,0.0,100.161,6.0,1.0,CCCC=CCO,3.5440680443502757,(E)-2-Hexen-1-ol
CCCC=CCOC(=O)CC,7500.0,3.0,2.0,0.0,156.22499999999997,9.0,2.0,CCCC=CCOC(=O)CC,3.8750612633917,"2-Hexen-1-ol, 1-propanoate, (2E)-"
CCCC=CCOC(C)=O,7500.0,3.0,2.0,0.0,142.19799999999998,8.0,2.0,CCCC=CCOC(C)=O,3.8750612633917,"2-Hexen-1-ol, acetate, (2E)-"
CCCC=O,4190.0,1.0,2.0,0.0,72.107,4.0,1.0,CCCC=O,3.622214022966295,Butyraldehyde
CCCCB(CCCC)CCCC,1125.0,4.0,0.0,0.0,182.15999999999997,12.0,0.0,CCCCB(CCCC)CCCC,3.0511525224473814,"Borane, tributyl-"
CCCCBr,2957.0,1.0,2.0,0.0,137.01999999999998,4.0,0.0,CCCCBr,3.4708513245261177,1-Bromobutane
CCCCC,1763.0,1.0,2.0,0.0,72.151,5.0,0.0,CCCCC,3.246252312299322,Pentane
CCCCC#N,878.0,1.0,2.0,0.0,83.134,5.0,0.0,CCCCC#N,2.9434945159061026,Valeronitrile
CCCCC(=O)C1C=CC(N)=CC=1,84.0,4.0,2.0,0.0,177.247,11.0,1.0,CCCCC(=O)C1C=CC(N)=CC=1,1.9242792860618816,"1-Pentanone, 1-(4-aminophenyl)-"
CCCCC(=O)CC,2760.0,2.0,2.0,0.0,114.188,7.0,1.0,CCCCC(=O)CC,3.4409090820652177,3-Heptanone
CCCCC(=O)OC,3500.0,2.0,2.0,0.0,116.15999999999998,6.0,2.0,CCCCC(=O)OC,3.5440680443502757,Methyl valerate
CCCCC(=O)OC(=O)CCCC,4600.0,4.0,1.0,0.0,186.25099999999995,10.0,3.0,CCCCC(=O)OC(=O)CCCC,3.662757831681574,CERAPP_56548
CCCCC(=O)OC1CCC(CC1)N1CCCCC1,1510.0,4.0,2.0,0.0,267.4129999999999,16.0,2.0,CCCCC(=O)OC1CCC(CC1)N1CCCCC1,3.1789769472931693,"Pentanoic acid, 4-(1-piperidinyl)cyclohexyl ester (9CI)"
CCCCC(Br)C(=O)OC,400.0,4.0,2.0,0.0,209.08299999999997,7.0,2.0,CCCCC(Br)C(=O)OC,2.6020599913279625,Methyl 2-bromohexanoate
CCCCC(C#N)C1C=CC=CC=1,1457.0,4.0,2.0,0.0,173.259,12.0,0.0,CCCCC(C#N)C1C=CC=CC=1,3.16345955176999,2-Phenylhexanenitrile
CCCCC(C)(C)C(O)C=CC1C(CCCCC=CC(=O)OC)C(=O)CC1O,56.5,4.0,0.0,0.0,394.55200000000025,23.0,5.0,CCCCC(C)(C)C(O)C=CC1C(CCCCC=CC(=O)OC)C(=O)CC1O,1.7520484478194385,
CCCCC(C)(C)O,820.0,2.0,2.0,0.0,116.20399999999998,7.0,1.0,CCCCC(C)(C)O,2.9138138523837167,
CCCCC(C)(O)CC=CC1C(CCCCCCC(=O)OC)C(=O)CC1O,85.75,4.0,0.0,0.0,382.5410000000003,22.0,5.0,CCCCC(C)(O)CC=CC1C(CCCCCCC(=O)OC)C(=O)CC1O,1.933234128714808,Misoprostol
CCCCC(C)=O,2590.0,1.0,2.0,0.0,100.161,6.0,1.0,CCCCC(C)=O,3.413299764081252,2-Hexanone
CCCCC(C)OP(=S)(OC)OC,750.0,4.0,1.0,0.0,226.27799999999996,8.0,3.0,CCCCC(C)OP(=S)(OC)OC,2.8750612633917,
CCCCC(C)OP(=S)(OCC)OCC,350.0,4.0,1.0,0.0,254.3319999999999,10.0,3.0,CCCCC(C)OP(=S)(OCC)OCC,2.5440680443502757,
CCCCC(C=O)=CC1C=CC=CC=1,4400.0,4.0,2.0,0.0,188.27,13.0,1.0,CCCCC(C=O)=CC1C=CC=CC=1,3.6434526764861874,1-Phenylhexan-2-one
CCCCC(CC)C(=O)Cl,2050.0,4.0,2.0,0.0,162.65999999999997,8.0,1.0,CCCCC(CC)C(=O)Cl,3.311753861055754,2-Ethylhexanoyl chloride
CCCCC(CC)C(=O)OC,2751.0,3.0,1.0,0.0,158.241,9.0,2.0,CCCCC(CC)C(=O)OC,3.4394905903896835,Methyl 2-ethylhexanoate
CCCCC(CC)C(=O)OC1=C(C2C(C)=CC(C)=CC=2C)C(=O)C2=CC=CC=C21,16.0,3.0,0.0,1.0,390.52300000000014,26.0,3.0,CCCCC(CC)C(=O)OC1=C(C2C(C)=CC(C)=CC=2C)C(=O)C2=CC=CC=C21,1.2041199826559248,
CCCCC(CC)C(=O)OC=C,4290.0,4.0,1.0,0.0,170.25199999999995,10.0,2.0,CCCCC(CC)C(=O)OC=C,3.6324572921847245,Ethenyl 2-ethylhexanoate
CCCCC(CC)C(=O)OCC(COC(=O)C(CCCC)CC)(COC(=O)C(CCCC)CC)COC(=O)C(CCCC)CC,7500.0,0.0,0.0,2.0,640.9430000000001,37.0,8.0,CCCCC(CC)C(=O)OCC(COC(=O)C(CCCC)CC)(COC(=O)C(CCCC)CC)COC(=O)C(CCCC)CC,3.8750612633917,CERAPP_32936
CCCCC(CC)C(=O)OCCOCCOCCOC(=O)C(CCCC)CC,10001.0,4.0,0.0,0.0,402.57200000000023,22.0,6.0,CCCCC(CC)C(=O)OCCOCCOCCOC(=O)C(CCCC)CC,4.000043427276863,Triethylene glycol bis(2-ethylhexanoate)
CCCCC(CC)C(=O)OCCOCCOCCOCCOC(=O)C(CCCC)CC,10001.0,3.0,0.0,0.0,446.62500000000034,24.0,7.0,CCCCC(CC)C(=O)OCCOCCOCCOCCOC(=O)C(CCCC)CC,4.000043427276863,Tetraethylene glycol di(2-ethylhexanoate)
CCCCC(CC)C(=O)OOC(C)(C)C,10000.0,4.0,1.0,0.0,216.32099999999997,12.0,3.0,CCCCC(CC)C(=O)OOC(C)(C)C,4.0,"Hexaneperoxoic acid, 2-ethyl-, 1,1-dimethylethyl ester"
CCCCC(CC)C(O)=O,2719.0,3.0,2.0,0.0,144.214,8.0,2.0,CCCCC(CC)C(O)=O,3.4344092075875,"Hexanoic acid, 2-ethyl-, silver(1+) salt (1:1)"
CCCCC(CC)C=CC(C)=O,8120.0,4.0,1.0,0.0,168.27999999999994,11.0,1.0,CCCCC(CC)C=CC(C)=O,3.9095560292411755,"3-Nonen-2-one, 5-ethyl-"
CCCCC(CC)C=O,3313.0,2.0,2.0,0.0,128.21499999999995,8.0,1.0,CCCCC(CC)C=O,3.52022143588196,2-Ethylhexanal
CCCCC(CC1=CC=CC=C1O)CC,2460.0,4.0,0.0,0.0,206.329,14.0,1.0,CCCCC(CC1=CC=CC=C1O)CC,3.3909351071033793,
CCCCC(CC1C=C(C(O)=C(C=1)C(C)(C)C)C(C)(C)C)(C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1,1492.0,0.0,0.0,2.0,685.047,42.0,5.0,CCCCC(CC1C=C(C(O)=C(C=1)C(C)(C)C)C(C)(C)C)(C(=O)OC1CC(C)(C)N(C)C(C)(C)C1)C(=O)OC1CC(C)(C)N(C)C(C)(C)C1,3.17376882313665,"Di-(1,2,2,6,6-pentamethyl-4-piperidyl)-2-butyl-2-(3,5-di-tert-butyl-4-hydroxybenzyl)malonate"
CCCCC(CCC(CCC(CC)CC)OS(O)(=O)=O)CC,1430.0,4.0,1.0,1.0,336.538,17.0,4.0,CCCCC(CCC(CCC(CC)CC)OS(O)(=O)=O)CC,3.155336037465062,"6-Tridecanol, 3,9-diethyl-, hydrogen sulfate, sodium salt"
CCCCC(CCCCCC)C(O)=O,3500.0,4.0,0.0,0.0,200.32199999999995,12.0,2.0,CCCCC(CCCCCC)C(O)=O,3.5440680443502757,"Octanoic acid, 2-butyl-"
CCCCC(CCl)CC,7340.0,3.0,2.0,0.0,148.677,8.0,0.0,CCCCC(CCl)CC,3.8656960599160706,CERAPP_26844
CCCCC(CN(CC(CCCC)CC)C(=S)SSC(=S)N(CC(CCCC)CC)CC(CCCC)CC)CC,3500.0,0.0,0.0,2.0,633.1999999999998,34.0,0.0,CCCCC(CN(CC(CCCC)CC)C(=S)SSC(=S)N(CC(CCCC)CC)CC(CCCC)CC)CC,3.5440680443502757,"Phosphorous trichloride, reaction products with 1,1'-biphenyl and 2,4-bis(1,1-dimethylethyl)phenol"
CCCCC(CN(CC(CCCC)CC)CC(CCCC)CC)CC,8170.0,2.0,0.0,1.0,353.67900000000014,24.0,0.0,CCCCC(CN(CC(CCCC)CC)CC(CCCC)CC)CC,3.9122220565324155,CERAPP_29733
CCCCC(CN(CCC(O)=O)CCC(O)=O)CC,7500.0,4.0,2.0,0.0,273.37299999999993,14.0,4.0,CCCCC(CN(CCC(O)=O)CCC(O)=O)CC,3.8750612633917,".beta.-Alanine, N-(2-carboxyethyl)-N-(2-ethylhexyl)-, sodium salt (1:1)"
CCCCC(CN(CCO)CC(CCCC)CC)CC,4910.0,4.0,1.0,0.0,285.516,18.0,1.0,CCCCC(CN(CCO)CC(CCCC)CC)CC,3.6910814921229687,2-[bis(2-ethylhexyl)amino]ethanol
CCCCC(CN(CN1C=NC=N1)CC(CCCC)CC)CC,2297.0,4.0,1.0,0.0,322.54099999999994,19.0,0.0,CCCCC(CN(CN1C=NC=N1)CC(CCCC)CC)CC,3.361160995195026,CERAPP_47476
CCCCC(CN)CC,383.0,3.0,1.0,0.0,129.247,8.0,0.0,CCCCC(CN)CC,2.583198773968623,"1-Hexanamine, 2-ethyl-, acetate (1:1)"
CCCCC(CN1C=NC=C1)(C#N)C1C=CC=CC=1,1590.0,4.0,2.0,0.0,253.34900000000005,16.0,0.0,CCCCC(CN1C=NC=C1)(C#N)C1C=CC=CC=1,3.2013971243204513,Fenapanil
CCCCC(CN1C=NC=N1)(C#N)C1C=CC(Cl)=CC=1,1859.0,4.0,2.0,0.0,288.78200000000004,15.0,0.0,CCCCC(CN1C=NC=N1)(C#N)C1C=CC(Cl)=CC=1,3.2692793897718984,Myclobutanil
CCCCC(CNC1=CC=C2C=CC=CC2=C1N=NC1=CC(C)=C(C=C1)N=NC1=CC(C)=CC=C1)CC,3500.0,0.0,0.0,1.0,491.6830000000002,32.0,0.0,CCCCC(CNC1=CC=C2C=CC=CC2=C1N=NC1=CC(C)=C(C=C1)N=NC1=CC(C)=CC=C1)CC,3.5440680443502757,CERAPP_41577
CCCCC(CNC1C=CC(NCC(CCCC)CC)=C2C=1C(=O)C1C(C2=O)=C(O)C=CC=1O)CC,2751.0,0.0,0.0,1.0,494.6760000000004,30.0,4.0,CCCCC(CNC1C=CC(NCC(CCCC)CC)=C2C=1C(=O)C1C(C2=O)=C(O)C=CC=1O)CC,3.4394905903896835,"1,4-Bis[(2-ethylhexyl)amino]-5,8-dihydroxyanthracene-9,10-dione"
CCCCC(CNC1CCCCC1)CC,710.0,4.0,0.0,0.0,211.39299999999992,14.0,0.0,CCCCC(CNC1CCCCC1)CC,2.8512583487190755,
CCCCC(CNCC(CCCC)CC)CC,1077.0,4.0,0.0,1.0,241.4629999999999,16.0,0.0,CCCCC(CNCC(CCCC)CC)CC,3.0322157032979815,"1-Hexanamine, 2-ethyl-N-(2-ethylhexyl)-, acetate (1:1)"
CCCCC(CO)(CO)CC,2925.0,4.0,1.0,0.0,160.257,9.0,2.0,CCCCC(CO)(CO)CC,3.466125870418199,"2-Butyl-2-ethyl-1,3-propanediol"
CCCCC(CO)CC,2671.0,3.0,1.0,0.0,130.231,8.0,1.0,CCCCC(CO)CC,3.426673888021373,Sodium 2-ethylhexan-1-olate
CCCCC(CO)CCCCCC,10001.0,4.0,0.0,0.0,186.33899999999997,12.0,1.0,CCCCC(CO)CCCCCC,4.000043427276863,2-Butyloctan-1-ol
CCCCC(COC(=O)C(C#N)=C(C1C=CC=CC=1)C1C=CC=CC=1)CC,6251.0,3.0,0.0,1.0,361.485,24.0,2.0,CCCCC(COC(=O)C(C#N)=C(C1C=CC=CC=1)C1C=CC=CC=1)CC,3.7959494989028033,"2-Ethylhexyl-2-cyano-3,3-diphenylacrylate"
CCCCC(COC(=O)C1=CC(=C(C=C1C(=O)OCC(CCCC)CC)C(=O)OCC(CCCC)CC)C(=O)OCC(CCCC)CC)CC,5500.0,0.0,0.0,2.0,703.0140000000001,42.0,8.0,CCCCC(COC(=O)C1=CC(=C(C=C1C(=O)OCC(CCCC)CC)C(=O)OCC(CCCC)CC)C(=O)OCC(CCCC)CC)CC,3.7403626894942437,CERAPP_30631
CCCCC(COC(=O)C1=CC=C(C=C1C(=O)OCC(CCCC)CC)C(=O)OCC(CCCC)CC)CC,3125.0,0.0,0.0,2.0,546.7890000000004,33.0,6.0,CCCCC(COC(=O)C1=CC=C(C=C1C(=O)OCC(CCCC)CC)C(=O)OCC(CCCC)CC)CC,3.494850021680094,Tris(2-ethylhexyl) trimellitate
CCCCC(COC(=O)C1=CC=CC=C1C(O)=O)CC,1340.0,4.0,1.0,0.0,278.348,16.0,4.0,CCCCC(COC(=O)C1=CC=CC=C1C(O)=O)CC,3.1271047983648077,MEHP
CCCCC(COC(=O)C1C(=C(Br)C(Br)=C(Br)C=1Br)C(=O)OCC(CCCC)CC)CC,7500.0,1.0,0.0,2.0,706.1479999999996,24.0,4.0,CCCCC(COC(=O)C1C(=C(Br)C(Br)=C(Br)C=1Br)C(=O)OCC(CCCC)CC)CC,3.8750612633917,Bis(2-ethylhexyl) tetrabromophthalate
CCCCC(COC(=O)C1C=CC(=CC=1)C(=O)OCC(CCCC)CC)CC,5800.0,3.0,0.0,1.0,390.56400000000025,24.0,4.0,CCCCC(COC(=O)C1C=CC(=CC=1)C(=O)OCC(CCCC)CC)CC,3.7634279935629373,Bis(2-ethylhexyl) terephthalate
CCCCC(COC(=O)C1C=CC(=CC=1)N(C)C)CC,10001.0,4.0,1.0,0.0,277.40799999999996,17.0,2.0,CCCCC(COC(=O)C1C=CC(=CC=1)N(C)C)CC,4.000043427276863,2-Ethylhexyl 4-(dimethylamino)benzoate
CCCCC(COC(=O)C1C=CC=CC=1)CC,3643.0,4.0,0.0,0.0,234.339,15.0,2.0,CCCCC(COC(=O)C1C=CC=CC=1)CC,3.561459171241916,2-Ethylhexyl benzoate
CCCCC(COC(=O)C1C=CC=CC=1C(=O)OCC(CCCC)CC)CC,10001.0,3.0,0.0,1.0,390.5640000000003,24.0,4.0,CCCCC(COC(=O)C1C=CC=CC=1C(=O)OCC(CCCC)CC)CC,4.000043427276863,Di(2-ethylhexyl) phthalate
CCCCC(COC(=O)C1C=CC=CC=1O)CC,6251.0,4.0,1.0,0.0,250.338,15.0,3.0,CCCCC(COC(=O)C1C=CC=CC=1O)CC,3.7959494989028033,2-Ethylhexyl salicylate
CCCCC(COC(=O)C=C)CC,5660.0,4.0,1.0,0.0,184.2789999999999,11.0,2.0,CCCCC(COC(=O)C=C)CC,3.7528164311882715,2-Ethylhexyl acrylate
CCCCC(COC(=O)C=CC(=O)OCC(CCCC)CC)CC,9875.0,4.0,1.0,1.0,340.5040000000002,20.0,4.0,CCCCC(COC(=O)C=CC(=O)OCC(CCCC)CC)CC,3.9945371042984976,Bis(2-ethylhexyl) maleate
CCCCC(COC(=O)CC#N)CC,2751.0,4.0,1.0,0.0,197.27799999999996,11.0,2.0,CCCCC(COC(=O)CC#N)CC,3.4394905903896835,2-Ethylhexyl cyanoacetate
CCCCC(COC(=O)CCC(=O)OCC(CCCC)CC)CC,2751.0,4.0,1.0,1.0,342.52000000000015,20.0,4.0,CCCCC(COC(=O)CCC(=O)OCC(CCCC)CC)CC,3.4394905903896835,CERAPP_30491
CCCCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CC,10001.0,3.0,0.0,1.0,370.5740000000002,22.0,4.0,CCCCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CC,4.000043427276863,Di(2-ethylhexyl) adipate
CCCCC(COC(=O)CCCCCCCC(=O)OCC(CCCC)CC)CC,2751.0,2.0,0.0,1.0,412.6550000000002,25.0,4.0,CCCCC(COC(=O)CCCCCCCC(=O)OCC(CCCC)CC)CC,3.4394905903896835,Bis(2-ethylhexyl) nonanedioate
CCCCC(COC(=O)CCCCCCCCC(=O)OCC(CCCC)CC)CC,6675.0,2.0,0.0,1.0,426.68200000000024,26.0,4.0,CCCCC(COC(=O)CCCCCCCCC(=O)OCC(CCCC)CC)CC,3.824451270036613,Bis(2-ethylhexyl) decanedioate
CCCCC(COC(=O)CCCCCCCCCCC(=O)OCC(CCCC)CC)CC,10001.0,1.0,0.0,1.0,454.73600000000033,28.0,4.0,CCCCC(COC(=O)CCCCCCCCCCC(=O)OCC(CCCC)CC)CC,4.000043427276863,"Dodecanedioic acid, 1,12-bis(2-ethylhexyl) ester"
CCCCC(COC(=O)CCCCCCCCCCCCCCC)CC,10001.0,2.0,0.0,1.0,368.6460000000002,24.0,2.0,CCCCC(COC(=O)CCCCCCCCCCCCCCC)CC,4.000043427276863,2-Ethylhexyl hexadecanoate
CCCCC(COC(=O)CCS)CC,307.0,4.0,1.0,0.0,218.36199999999997,11.0,2.0,CCCCC(COC(=O)CCS)CC,2.4871383754771865,CERAPP_40527
CCCCC(COC(=O)COC1C=C(Cl)C(Cl)=CC=1Cl)CC,500.0,3.0,0.0,1.0,367.7000000000001,16.0,3.0,CCCCC(COC(=O)COC1C=C(Cl)C(Cl)=CC=1Cl)CC,2.6989700043360187,"2,4,5-T 2-Ethylhexyl"
CCCCC(COC(=O)COC1C=CC(Cl)=CC=1Cl)CC,888.0,4.0,1.0,1.0,333.255,16.0,3.0,CCCCC(COC(=O)COC1C=CC(Cl)=CC=1Cl)CC,2.948412965778601,"2,4-D 2-EHE"
CCCCC(COC(=O)CS)CC,322.0,4.0,1.0,0.0,204.335,10.0,2.0,CCCCC(COC(=O)CS)CC,2.507855871695831,2-Ethylhexyl sulfanylacetate
CCCCC(COC(=O)CSCC(=O)OCC(CCCC)CC)CC,7500.0,4.0,0.0,1.0,374.5870000000002,20.0,4.0,CCCCC(COC(=O)CSCC(=O)OCC(CCCC)CC)CC,3.8750612633917,"Acetic acid, 2,2'-thiobis-, 1,1'-bis(2-ethylhexyl) ester"
CCCCC(COC(=O)CSP(=O)(SCC(=O)OCC(CCCC)CC)SCC(=O)OCC(CCCC)CC)CC,3313.0,0.0,0.0,2.0,656.9540000000001,30.0,7.0,CCCCC(COC(=O)CSP(=O)(SCC(=O)OCC(CCCC)CC)SCC(=O)OCC(CCCC)CC)CC,3.52022143588196,CERAPP_44902
CCCCC(COC(=O)Cl)CC,5706.0,4.0,0.0,0.0,192.686,9.0,2.0,CCCCC(COC(=O)Cl)CC,3.7563317673210577,"Carbonochloridic acid, 2-ethylhexyl ester"
CCCCC(COC(=O)OOC(=O)OCC(CCCC)CC)CC,1763.0,3.0,1.0,1.0,346.46400000000017,18.0,6.0,CCCCC(COC(=O)OOC(=O)OCC(CCCC)CC)CC,3.246252312299322,"Peroxydicarbonic acid, bis(2-ethylhexyl) ester"
CCCCC(COC(C)=O)CC,4070.0,4.0,1.0,0.0,172.26799999999997,10.0,2.0,CCCCC(COC(C)=O)CC,3.60959440922522,2-Ethylhexyl acetate
CCCCC(COC(CBr)C1C=C(C=CC=1)C1CCCCC1)CC,250.0,3.0,0.0,1.0,395.42500000000024,22.0,1.0,CCCCC(COC(CBr)C1C=C(C=CC=1)C1CCCCC1)CC,2.3979400086720375,
CCCCC(COC(C[N+]1C=CC=CC=1)C1=CC=C(CCCCCC)C=C1)CC,250.0,2.0,0.0,1.0,396.6390000000003,27.0,1.0,CCCCC(COC(C[N+]1C=CC=CC=1)C1=CC=C(CCCCCC)C=C1)CC,2.3979400086720375,
CCCCC(COCC(CCCC)CC)CC,10001.0,4.0,0.0,1.0,242.44699999999992,16.0,1.0,CCCCC(COCC(CCCC)CC)CC,4.000043427276863,Bis(2-ethylhexyl) ether
CCCCC(COCCC#N)CC,4920.0,4.0,1.0,0.0,183.29499999999996,11.0,1.0,CCCCC(COCCC#N)CC,3.69196510276736,3-((2-Ethylhexyl)oxy)propionitrile
CCCCC(COCCCN)CC,583.0,4.0,1.0,0.0,187.3269999999999,11.0,1.0,CCCCC(COCCCN)CC,2.765668554759014,"1-Propanamine, 3-[(2-ethylhexyl)oxy]-, acetate (1:1)"
CCCCC(COCCCNC(=O)NC1=CC=CC2C1=CC=CC=2NC(=O)NCCCOCC(CCCC)CC)CC,7500.0,0.0,0.0,2.0,584.8460000000003,34.0,4.0,CCCCC(COCCCNC(=O)NC1=CC=CC2C1=CC=CC=2NC(=O)NCCCOCC(CCCC)CC)CC,3.8750612633917,CERAPP_45288
CCCCC(COCCO)CC,4751.0,4.0,1.0,0.0,174.28399999999996,10.0,2.0,CCCCC(COCCO)CC,3.6767850304192056,2-(2-Ethylhexyloxy)ethanol
CCCCC(COP(=O)(OCC(CCCC)CC)OCC(CCCC)CC)CC,10001.0,2.0,0.0,1.0,434.6420000000004,24.0,4.0,CCCCC(COP(=O)(OCC(CCCC)CC)OCC(CCCC)CC)CC,4.000043427276863,Tris(2-ethylhexyl) phosphate
CCCCC(COP(=O)OCC(CCCC)CC)CC,10001.0,3.0,1.0,1.0,306.4270000000001,16.0,3.0,CCCCC(COP(=O)OCC(CCCC)CC)CC,4.000043427276863,Bis(2-ethylhexyl) phosphonate
CCCCC(COP(O)(=O)OCC(CCCC)CC)CC,4940.0,4.0,1.0,1.0,322.4260000000001,16.0,4.0,CCCCC(COP(O)(=O)OCC(CCCC)CC)CC,3.693726948923647,"Phosphoric acid, bis(2-ethylhexyl) ester, potassium salt (1:1)"
CCCCC(COP(O)(O)=O)CC,3450.0,4.0,1.0,0.0,210.21,8.0,4.0,CCCCC(COP(O)(O)=O)CC,3.537819095073274,"Phosphoric acid, 2-ethylhexyl ester, compd. with 2,2',2''-nitrilotris[ethanol]"
CCCCC(COP(OCC(CCCC)CC)OCC(CCCC)CC)CC,6200.0,2.0,0.0,1.0,418.6430000000003,24.0,3.0,CCCCC(COP(OCC(CCCC)CC)OCC(CCCC)CC)CC,3.792391689498254,Tris(2-ethylhexyl) phosphite
CCCCC(COS(O)(=O)=O)CC,4068.0,4.0,1.0,0.0,210.295,8.0,4.0,CCCCC(COS(O)(=O)=O)CC,3.6093809442507068,"Sulfuric acid, mono(2-ethylhexyl) ester, ammonium salt (1:1)"
CCCCC(CO[Si](O)(O)O)CC,10001.0,4.0,1.0,0.0,208.33,8.0,4.0,CCCCC(CO[Si](O)(O)O)CC,4.000043427276863,2-Ethylhexyl trihydrogen orthosilicate
CCCCC(O)(CN1C=NC=N1)C1=CC=C(Cl)C=C1Cl,2189.0,4.0,1.0,0.0,314.216,14.0,1.0,CCCCC(O)(CN1C=NC=N1)C1=CC=C(Cl)C=C1Cl,3.3402457615679317,Hexaconazole
CCCCC(O)=O,1782.0,1.0,2.0,0.0,102.13299999999998,5.0,2.0,CCCCC(O)=O,3.250907699700856,Potassium pentanoate
CCCCC(O)C1C=CC=CC=1,5432.0,4.0,2.0,0.0,164.248,11.0,1.0,CCCCC(O)C1C=CC=CC=1,3.7349597612724454,Fenipentol
CCCCC(O)CC,1870.0,2.0,2.0,0.0,116.20399999999998,7.0,1.0,CCCCC(O)CC,3.271841606536499,CERAPP_28088
CCCCC(O)CO,6166.0,2.0,2.0,0.0,118.17599999999996,6.0,2.0,CCCCC(O)CO,3.7900035203904894,CERAPP_32753
CCCCC/C(/O)=N/P(=O)(OC)SC,25.0,4.0,0.0,0.0,239.277,8.0,3.0,CCCCC/C(/O)=N/P(=O)(OC)SC,1.3979400086720377,
CCCCC1(COC(=O)CCC(O)=O)C(=O)N(C2C=CC=CC=2)N(C2C=CC=CC=2)C1=O,1700.0,4.0,0.0,0.0,438.4800000000001,24.0,6.0,CCCCC1(COC(=O)CCC(O)=O)C(=O)N(C2C=CC=CC=2)N(C2C=CC=CC=2)C1=O,3.230448921378274,Suxibuzone
CCCCC1=C(OC(=O)C2=CC(OC)=C(OC)C(=C2)OC)N(C2C=CC=CC=2)N(C1=O)C1C=CC=CC=1,3000.0,2.0,0.0,2.0,502.5670000000002,29.0,6.0,CCCCC1=C(OC(=O)C2=CC(OC)=C(OC)C(=C2)OC)N(C2C=CC=CC=2)N(C1=O)C1C=CC=CC=1,3.4771212547196626,Phenylbutazone trimethylgallate
CCCCC1=CC(=C(O)C=C1)C(=O)NC1C=C(C=CC=1)C(F)(F)F,2500.0,4.0,2.0,1.0,337.34099999999995,18.0,2.0,CCCCC1=CC(=C(O)C=C1)C(=O)NC1C=C(C=CC=1)C(F)(F)F,3.3979400086720375,"Benzamide, 5-butyl-2-hydroxy-N-(3-(trifluoromethyl)phenyl)-"
CCCCC1=CC2N=C(NC=2C=C1)NC(=O)OC,40.0,4.0,2.0,0.0,247.29799999999997,13.0,2.0,CCCCC1=CC2N=C(NC=2C=C1)NC(=O)OC,1.6020599913279623,Parbendazole
CCCCC1=CC=NN1,509.0,2.0,2.0,0.0,124.18699999999998,7.0,0.0,CCCCC1=CC=NN1,2.7067177823367587,"Pyrazole, 3-butyl-"
CCCCC1=NC2(CCCC2)C(=O)N1CC1C=CC(=CC=1)C1=CC=CC=C1C#N,2751.0,4.0,1.0,1.0,385.5110000000001,25.0,1.0,CCCCC1=NC2(CCCC2)C(=O)N1CC1C=CC(=CC=1)C1=CC=CC=C1C#N,3.4394905903896835,"4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl][1,1'-biphenyl]-2-carbonitrile"
CCCCC1C(=O)N(C2=CC(O)=CC=C2)N(C2=CC(O)=CC=C2)C1=O,1000.0,4.0,2.0,0.0,340.3790000000001,19.0,4.0,CCCCC1C(=O)N(C2=CC(O)=CC=C2)N(C2=CC(O)=CC=C2)C1=O,3.0,"3,5-Pyrazolidinedione, 1,2-bis(m-hydroxyphenyl)-4-butyl-"
CCCCC1C(=O)N(C2C=CC(=CC=2)S(C)(=O)=O)N(C1=O)C1C=CC=CC=1,1000.0,4.0,1.0,0.0,386.4730000000001,20.0,4.0,CCCCC1C(=O)N(C2C=CC(=CC=2)S(C)(=O)=O)N(C1=O)C1C=CC=CC=1,3.0,
CCCCC1C(=O)N(C2C=CC=CC=2)N(C2C=CC(O)=CC=2)C1=O,329.0,4.0,3.0,0.0,324.38000000000005,19.0,3.0,CCCCC1C(=O)N(C2C=CC=CC=2)N(C2C=CC(O)=CC=2)C1=O,2.5171958979499744,Oxyphenbutazone
CCCCC1C(=O)N(C2C=CC=CC=2)N(C2C=CC=CC=2)C1=O,245.0,4.0,2.0,0.0,308.3810000000001,19.0,2.0,CCCCC1C(=O)N(C2C=CC=CC=2)N(C2C=CC=CC=2)C1=O,2.3891660843645326,Phenylbutazone
CCCCC1C(=O)N(C2CCCCC2)C(=O)NC1=O,1115.0,4.0,3.0,0.0,266.34099999999995,14.0,3.0,CCCCC1C(=O)N(C2CCCCC2)C(=O)NC1=O,3.0472748673841794,Bucolome
CCCCC1C(=O)NN(C2C=CC=CC=2)C1=O,1750.0,4.0,2.0,0.0,232.283,13.0,2.0,CCCCC1C(=O)NN(C2C=CC=CC=2)C1=O,3.2430380486862944,Mofebutazone
CCCCC1C=C2C=C(CCCC)C=C(C2=CC=1)S(O)(=O)=O,1250.0,4.0,1.0,0.0,320.454,18.0,3.0,CCCCC1C=C2C=C(CCCC)C=C(C2=CC=1)S(O)(=O)=O,3.0969100130080562,Dibutylnaphthalenesulfonic acid sodium salt
CCCCC1C=CC(=NC=1)C(O)=O,480.0,4.0,2.0,0.0,179.219,10.0,2.0,CCCCC1C=CC(=NC=1)C(O)=O,2.681241237375587,Fusaric acid
CCCCC1C=CC(O)=CC=1O,500.0,4.0,2.0,0.0,166.21999999999997,10.0,2.0,CCCCC1C=CC(O)=CC=1O,2.6989700043360187,4-Butylresorcinol
CCCCC1CCC(=O)O1,4400.0,2.0,2.0,0.0,142.19799999999998,8.0,2.0,CCCCC1CCC(=O)O1,3.6434526764861874,4-Octanolide
CCCCC1NC(=O)C2(CCCC2)N=1,2500.0,4.0,2.0,0.0,194.278,11.0,1.0,CCCCC1NC(=O)C2(CCCC2)N=1,3.3979400086720375,"2-Butyl-1,3-diazaspiro[4.4]non-1-en-4-one--hydrogen chloride (1/1)"
CCCCC1NC(Cl)=C(C=O)N=1,2751.0,4.0,2.0,0.0,186.642,8.0,1.0,CCCCC1NC(Cl)=C(C=O)N=1,3.4394905903896835,2-Butyl-5-chloroimidazole-4-carbaldehyde
CCCCC1OC(=O)C2=CC=CC=C21,2450.0,4.0,2.0,0.0,190.242,12.0,2.0,CCCCC1OC(=O)C2=CC=CC=C21,3.3891660843645326,CERAPP_32192
CCCCC1OC2C=CC(=CC=2C=1C(=O)C1C=CC(O)=CC=1)[N+]([O-])=O,2751.0,4.0,1.0,0.0,339.34700000000004,19.0,5.0,CCCCC1OC2C=CC(=CC=2C=1C(=O)C1C=CC(O)=CC=1)[N+]([O-])=O,3.4394905903896835,(2-Butyl-5-nitro-1-benzofuran-3-yl)(4-hydroxyphenyl)methanone
CCCCC1OC2C=CC=CC=2C=1C(=O)C1=CC(I)=C(OCCN(CC)CC)C(I)=C1,3000.0,1.0,0.0,2.0,645.3190000000002,25.0,3.0,CCCCC1OC2C=CC=CC=2C=1C(=O)C1=CC(I)=C(OCCN(CC)CC)C(I)=C1,3.4771212547196626,Amiodarone hydrochloride
CCCCC=C,5600.0,1.0,2.0,0.0,84.16199999999999,6.0,0.0,CCCCC=C,3.7481880270062002,1-Hexene
CCCCC=CC=CC=CCCCCCCCC(=O)OC,7500.0,3.0,1.0,1.0,292.4629999999999,19.0,2.0,CCCCC=CC=CC=CCCCCCCCC(=O)OC,3.8750612633917,
CCCCC=CC=CC=O,7500.0,3.0,2.0,0.0,138.20999999999995,9.0,1.0,CCCCC=CC=CC=O,3.8750612633917,"trans-2,cis-6-Nonadienal"
CCCCC=CCCC=CCCCCCCOC(C)=O,7500.0,4.0,1.0,1.0,280.45199999999994,18.0,2.0,CCCCC=CCCC=CCCCCCCOC(C)=O,3.8750612633917,"Hexadeca-7,11-dien-1-yl acetate (Z,E)-"
CCCCC=CCCCCCCCCCC=O,7500.0,4.0,0.0,1.0,238.4149999999999,16.0,1.0,CCCCC=CCCCCCCCCCC=O,3.8750612633917,(Z)-11-Hexadecenal
CCCCC=CCCCCCCOC(C)=O,10001.0,4.0,0.0,0.0,226.35999999999993,14.0,2.0,CCCCC=CCCCCCCOC(C)=O,4.000043427276863,"7-Dodecen-1-ol, acetate, (7Z)-"
CCCCC=O,6013.0,1.0,2.0,0.0,86.13399999999999,5.0,1.0,CCCCC=O,3.7790912038454993,Pentanal
CCCCCBr,2751.0,1.0,2.0,0.0,151.047,5.0,0.0,CCCCCBr,3.4394905903896835,1-Bromopentane
CCCCCC,10001.0,2.0,2.0,0.0,86.178,6.0,0.0,CCCCCC,4.000043427276863,"Lithium, hexyl-"
CCCCCC#C,7500.0,1.0,2.0,0.0,96.173,7.0,0.0,CCCCCC#C,3.8750612633917,1-Heptyne
CCCCCC#CC(=O)OC,1530.0,3.0,2.0,0.0,154.20899999999995,9.0,2.0,CCCCCC#CC(=O)OC,3.184691430817599,Methyl 2-octynoate
CCCCCC(=CC1C=CC=CC=1)C(OC)OC,7500.0,4.0,0.0,0.0,248.366,16.0,2.0,CCCCCC(=CC1C=CC=CC=1)C(OC)OC,3.8750612633917,[2-(Dimethoxymethyl)-1-heptenyl]benzene
CCCCCC(=CC1C=CC=CC=1)C(OCC)OCC,6251.0,4.0,1.0,1.0,276.42,18.0,2.0,CCCCCC(=CC1C=CC=CC=1)C(OCC)OCC,3.7959494989028033,"1,1-Diethoxy-2-amyl-3-phenyl-2-propene"
CCCCCC(=O)CC,7500.0,2.0,2.0,0.0,128.21499999999995,8.0,1.0,CCCCCC(=O)CC,3.8750612633917,3-Octanone
CCCCCC(=O)NC1=CC(=C(CC2=CC=CC=N2)C=C1)[N+]([O-])=O,100.0,4.0,1.0,0.0,327.38400000000007,18.0,3.0,CCCCCC(=O)NC1=CC(=C(CC2=CC=CC=N2)C=C1)[N+]([O-])=O,2.0,"Hexanamide, N-(3-nitro-4-(2-pyridinylmethyl)phenyl)-"
CCCCCC(=O)NO,3200.0,2.0,2.0,0.0,131.175,6.0,2.0,CCCCCC(=O)NO,3.505149978319906,"Hexanamide, N-hydroxy-"
CCCCCC(=O)OC,4001.0,2.0,2.0,0.0,130.18699999999998,7.0,2.0,CCCCCC(=O)OC,3.6021685513789974,Methyl hexanoate
CCCCCC(=O)OCC,7500.0,3.0,2.0,0.0,144.21399999999997,8.0,2.0,CCCCCC(=O)OCC,3.8750612633917,Ethyl hexanoate
CCCCCC(=O)OCC=C,218.0,3.0,2.0,0.0,156.225,9.0,2.0,CCCCCC(=O)OCC=C,2.3384564936046046,Allyl hexanoate
CCCCCC(=O)OCCC(C)C,7500.0,4.0,1.0,0.0,186.29499999999996,11.0,2.0,CCCCCC(=O)OCCC(C)C,3.8750612633917,"Hexanoic acid, 3-methylbutyl ester"
CCCCCC(=O)OCCCC,7500.0,4.0,1.0,0.0,172.26799999999994,10.0,2.0,CCCCCC(=O)OCCCC,3.8750612633917,"Hexanoic acid, butyl ester"
CCCCCC(C)(O)C=C,1800.0,3.0,1.0,0.0,142.242,9.0,1.0,CCCCCC(C)(O)C=C,3.255272505103306,CERAPP_37500
CCCCCC(C)(O)CC,3400.0,3.0,1.0,0.0,144.25799999999998,9.0,1.0,CCCCCC(C)(O)CC,3.531478917042255,"3-Octanol, 3-methyl-"
CCCCCC(C)=O,1635.0,2.0,2.0,0.0,114.188,7.0,1.0,CCCCCC(C)=O,3.2135177569963047,2-Heptanone
CCCCCC(C)C(C)C1=CC(OC(=O)CCCN2CCCCC2)=C2C(=C1)OC(C)(C)C1CCN(CC#C)CC=12,130.0,0.0,0.0,2.0,548.8120000000004,35.0,3.0,CCCCCC(C)C(C)C1=CC(OC(=O)CCCN2CCCCC2)=C2C(=C1)OC(C)(C)C1CCN(CC#C)CC=12,2.113943352306837,
CCCCCC(C)O,2580.0,2.0,2.0,0.0,116.20399999999998,7.0,1.0,CCCCCC(C)O,3.41161970596323,2-Heptanol
CCCCCC(C)OC(=O)COC1=CC=C(Cl)C2=CC=CN=C12,2525.0,4.0,1.0,0.0,335.8310000000001,18.0,3.0,CCCCCC(C)OC(=O)COC1=CC=C(Cl)C2=CC=CN=C12,3.40226138245468,Cloquintocet-mexyl
CCCCCC(C=C)OC(C)=O,850.0,4.0,1.0,0.0,170.25199999999998,10.0,2.0,CCCCCC(C=C)OC(C)=O,2.929418925714293,Oct-1-en-3-yl acetate
CCCCCC(C=O)=CC1C=CC=CC=1,3393.0,4.0,1.0,0.0,202.297,14.0,1.0,CCCCCC(C=O)=CC1C=CC=CC=1,3.530583859645118,Pentylcinnamaldehyde
CCCCCC(CO)=CC1C=CC=CC=1,4000.0,4.0,0.0,0.0,204.313,14.0,1.0,CCCCCC(CO)=CC1C=CC=CC=1,3.6020599913279625,alpha-Amylcinnamyl alcohol
CCCCCC(CO)CC1C=CC=CC=1,7500.0,4.0,1.0,0.0,206.329,14.0,1.0,CCCCCC(CO)CC1C=CC=CC=1,3.8750612633917,CERAPP_47511
CCCCCC(COC(=O)C1C=CC=CC=1C(=O)OCC(CCC)CCCCC)CCC,6251.0,1.0,0.0,1.0,446.6720000000004,28.0,4.0,CCCCCC(COC(=O)C1C=CC=CC=1C(=O)OCC(CCC)CCCCC)CCC,3.7959494989028033,Bis(2-propylheptyl) phthalate
CCCCCC(O)=O,4114.0,2.0,2.0,0.0,116.15999999999998,6.0,2.0,CCCCCC(O)=O,3.614264287358705,"Hexanoic acid, sodium salt"
CCCCCC(O)C=C,257.0,3.0,2.0,0.0,128.215,8.0,1.0,CCCCCC(O)C=C,2.4099331233312946,1-Octen-3-ol
CCCCCC(O)C=CC1C(CC=CCCCC(O)=O)C(=O)CC1O,500.0,4.0,1.0,0.0,352.4710000000001,20.0,5.0,CCCCCC(O)C=CC1C(CC=CCCCC(O)=O)C(=O)CC1O,2.6989700043360187,Dinoprostone
CCCCCC(O)C=CC1C(CC=CCCCC(O)=O)C(O)CC1O,1170.0,4.0,1.0,0.0,354.48700000000014,20.0,5.0,CCCCCC(O)C=CC1C(CC=CCCCC(O)=O)C(O)CC1O,3.0681858617461617,Dinoprost
CCCCCC(O)C=CC1C(CCCCCCC(O)=O)C(=O)CC1O,228.0,4.0,1.0,0.0,354.48700000000014,20.0,5.0,CCCCCC(O)C=CC1C(CCCCCCC(O)=O)C(=O)CC1O,2.357934847000454,Alprostadil
CCCCCC(O)CC,7500.0,3.0,1.0,0.0,130.23099999999997,8.0,1.0,CCCCCC(O)CC,3.8750612633917,CERAPP_28092
CCCCCC1=C(CCC1=O)CC(=O)OC,2751.0,4.0,1.0,0.0,224.29999999999995,13.0,3.0,CCCCCC1=C(CCC1=O)CC(=O)OC,3.4394905903896835,"1-Cyclopentene-1-acetic acid, 3-oxo-2-pentyl-, methyl ester"
CCCCCC1=CCCC1=O,2200.0,3.0,2.0,0.0,152.237,10.0,1.0,CCCCCC1=CCCC1=O,3.342422680822206,2-Pentyl-2-cyclopenten-1-one
CCCCCC1C(CCC1=O)CC(=O)OC,6251.0,4.0,1.0,0.0,226.31599999999997,13.0,3.0,CCCCCC1C(CCC1=O)CC(=O)OC,3.7959494989028033,Methyl dihydrojasmonate
CCCCCC1C=CC=CC=1O,700.0,4.0,2.0,0.0,164.248,11.0,1.0,CCCCCC1C=CC=CC=1O,2.845098040014257,"Phenol, 2-pentyl-"
CCCCCC1CCC(=O)O1,7184.0,3.0,2.0,0.0,156.225,9.0,2.0,CCCCCC1CCC(=O)O1,3.856366323659248,gamma-Nonanolactone
CCCCCC1CCCC(=O)O1,7500.0,4.0,2.0,0.0,170.25199999999998,10.0,2.0,CCCCCC1CCCC(=O)O1,3.8750612633917,6-Pentyltetrahydro-2H-pyran-2-one
CCCCCC1CCCC1=O,7500.0,3.0,2.0,0.0,154.253,10.0,1.0,CCCCCC1CCCC1=O,3.8750612633917,2-Pentylcyclopentanone
CCCCCC1COCCC1OC(C)=O,6251.0,4.0,2.0,0.0,214.30499999999995,12.0,3.0,CCCCCC1COCCC1OC(C)=O,3.7959494989028033,"3-O-Acetyl-1,5-anhydro-2,4-dideoxy-2-pentylpentitol"
CCCCCC1NS(=O)(=O)C2=CC(=C(C=C2N1)C(F)(F)F)S(N)(=O)=O,10001.0,4.0,2.0,0.0,401.4320000000001,13.0,4.0,CCCCCC1NS(=O)(=O)C2=CC(=C(C=C2N1)C(F)(F)F)S(N)(=O)=O,4.000043427276863,Penflutizide
CCCCCC=CC=CC=C,7563.0,3.0,1.0,0.0,150.265,11.0,0.0,CCCCCC=CC=CC=C,3.878694100396108,"1,3,5-Undecatriene"
CCCCCC=CCC(CC(O)=O)C(O)=O,1030.0,4.0,1.0,0.0,228.28799999999995,12.0,4.0,CCCCCC=CCC(CC(O)=O)C(O)=O,3.012837224705172,"Butanedioic acid, 2-(2-octen-1-yl)-, potassium salt (1:2)"
CCCCCC=CCC1CC(=O)OC1=O,1098.0,4.0,2.0,0.0,210.2729999999999,12.0,3.0,CCCCCC=CCC1CC(=O)OC1=O,3.040602340114073,2-Octen-1-ylsuccinic anhydride
CCCCCC=CCC=CCCCCCCCC(=O)NC(C)C1C=CC=CC=1,10001.0,3.0,0.0,1.0,383.61999999999995,26.0,1.0,CCCCCC=CCC=CCCCCCCCC(=O)NC(C)C1C=CC=CC=1,4.000043427276863,Melinamide
CCCCCC=CCCC(CCCCCCCC(O)=O)C(CCCCCCCCC(O)=O)CCCCCCCC,10001.0,0.0,0.0,2.0,564.9360000000006,36.0,4.0,CCCCCC=CCCC(CCCCCCCC(O)=O)C(CCCCCCCCC(O)=O)CCCCCCCC,4.000043427276863,"Fatty acids, C18-unsatd., dimers"
CCCCCC=O,4890.0,1.0,2.0,0.0,100.161,6.0,1.0,CCCCCC=O,3.6893088591236203,Hexanal
CCCCCCBr,2751.0,3.0,2.0,0.0,165.074,6.0,0.0,CCCCCCBr,3.4394905903896835,1-Bromohexane
CCCCCCC#C,3500.0,2.0,2.0,0.0,110.2,8.0,0.0,CCCCCCC#C,3.5440680443502757,1-Octyne
CCCCCCC#CC(=O)OC,2220.0,4.0,2.0,0.0,168.236,10.0,2.0,CCCCCCC#CC(=O)OC,3.346352974450639,Methyl 2-nonynoate
CCCCCCC#CC(OC)OC,7500.0,4.0,1.0,0.0,184.27899999999997,11.0,2.0,CCCCCCC#CC(OC)OC,3.8750612633917,"1,1-Dimethoxynon-2-yne"
CCCCCCC(=O)Cl,3500.0,2.0,2.0,0.0,148.63299999999998,7.0,1.0,CCCCCCC(=O)Cl,3.5440680443502757,Heptanoyl chloride
CCCCCCC(=O)OC,7500.0,3.0,2.0,0.0,144.214,8.0,2.0,CCCCCCC(=O)OC,3.8750612633917,Methyl heptanoate
CCCCCCC(=O)OC(COC(=O)CCCCCC)COC(=O)CCCCCC,4910.0,2.0,0.0,1.0,428.6100000000003,24.0,6.0,CCCCCCC(=O)OC(COC(=O)CCCCCC)COC(=O)CCCCCC,3.6910814921229687,CERAPP_28304
CCCCCCC(=O)OCC,10001.0,3.0,1.0,0.0,158.241,9.0,2.0,CCCCCCC(=O)OCC,4.000043427276863,Ethyl heptanoate
CCCCCCC(=O)OCC=C,233.0,4.0,1.0,0.0,170.25199999999998,10.0,2.0,CCCCCCC(=O)OCC=C,2.367355921026019,Prop-2-en-1-yl heptanoate
CCCCCCC(=O)OCCN1CCN(CCCN2C3C=C(C=CC=3SC3C=CC=CC2=3)C(F)(F)F)CC1,230.0,0.0,0.0,2.0,549.7029999999999,29.0,2.0,CCCCCCC(=O)OCCN1CCN(CCCN2C3C=C(C=CC=3SC3C=CC=CC2=3)C(F)(F)F)CC1,2.361727836017593,Fluphenazine enanthate
CCCCCCC(=O)OCCOCCOCCOCCOC(=O)CCCCCC,10001.0,3.0,0.0,0.0,418.5710000000003,22.0,7.0,CCCCCCC(=O)OCCOCCOCCOCCOC(=O)CCCCCC,4.000043427276863,Tetraethylene glycol diheptanoate
CCCCCCC(C)(C)C1C=C(O)C2C3CC(=O)CCC3C(C)(C)OC=2C=1,1000.0,3.0,0.0,1.0,372.5490000000002,24.0,3.0,CCCCCCC(C)(C)C1C=C(O)C2C3CC(=O)CCC3C(C)(C)OC=2C=1,3.0,Nabilone
CCCCCCC(C)=CC#N,1720.0,3.0,2.0,0.0,151.253,10.0,0.0,CCCCCCC(C)=CC#N,3.2355284469075487,"2-Nonenenitrile, 3-methyl-"
CCCCCCC(C)=O,2319.0,2.0,2.0,0.0,128.215,8.0,1.0,CCCCCCC(C)=O,3.3653007486379876,2-Octanone
CCCCCCC(C)C=O,7500.0,3.0,1.0,0.0,142.242,9.0,1.0,CCCCCCC(C)C=O,3.8750612633917,2-Methyloctanal
CCCCCCC(C)I,8200.0,4.0,1.0,0.0,240.128,8.0,0.0,CCCCCCC(C)I,3.9138138523837167,CERAPP_53759
CCCCCCC(C)O,3125.0,3.0,1.0,0.0,130.231,8.0,1.0,CCCCCCC(C)O,3.494850021680094,2-Octanol
CCCCCCC(C)OC(=O)COC1=NC(F)=C(Cl)C(N)=C1Cl,7500.0,4.0,0.0,0.0,367.2480000000001,15.0,3.0,CCCCCCC(C)OC(=O)COC1=NC(F)=C(Cl)C(N)=C1Cl,3.8750612633917,Fluroxypyr-meptyl
CCCCCCC(C=O)=CC1C=CC=CC=1,3100.0,4.0,0.0,0.0,216.324,15.0,1.0,CCCCCCC(C=O)=CC1C=CC=CC=1,3.4913616938342726,2-Benzylideneoctanal
CCCCCCC(CCCCCCCCCCC(=O)OCC(CCCCCCCC)CCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,10001.0,0.0,0.0,2.0,847.4919999999993,56.0,4.0,CCCCCCC(CCCCCCCCCCC(=O)OCC(CCCCCCCC)CCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC,4.000043427276863,CERAPP_47409
CCCCCCC(COC1=CC=CC=C1C(N)=O)CCCCCCCC,4404.0,3.0,0.0,1.0,361.57,23.0,2.0,CCCCCCC(COC1=CC=CC=C1C(N)=O)CCCCCCCC,3.643847310299714,2-[(2-Hexyldecyl)oxy]benzamide
CCCCCCC(O)=O,7685.0,2.0,2.0,0.0,130.187,7.0,2.0,CCCCCCC(O)=O,3.885643871835764,Sodium heptanoate
CCCCCCC(O)CC=CCCCCCCCC(=O)OC,3500.0,4.0,1.0,1.0,312.49399999999997,19.0,3.0,CCCCCCC(O)CC=CCCCCCCCC(=O)OC,3.5440680443502757,Methyl ricinoleate
CCCCCCC(O)CC=CCCCCCCCC(=O)OCCCC,7500.0,3.0,0.0,1.0,354.5750000000001,22.0,3.0,CCCCCCC(O)CC=CCCCCCCCC(=O)OCCCC,3.8750612633917,"Butyl (9Z,12R)-12-hydroxyoctadec-9-enoate"
CCCCCCC(O)CCCCCCCCCCC(=O)NCC1=CC(CNC(=O)CCCCCCCCCCC(O)CCCCCC)=CC=C1,3500.0,0.0,0.0,2.0,701.1339999999997,44.0,4.0,CCCCCCC(O)CCCCCCCCCCC(=O)NCC1=CC(CNC(=O)CCCCCCCCCCC(O)CCCCCC)=CC=C1,3.5440680443502757,"N,N'-(Benzene-1,3-diyldimethanediyl)bis(12-hydroxyoctadecanamide)"
CCCCCCC(O)CCCCCCCCCCC(=O)NCCO,3500.0,4.0,1.0,0.0,343.55199999999996,20.0,3.0,CCCCCCC(O)CCCCCCCCCCC(=O)NCCO,3.5440680443502757,CERAPP_26682
CCCCCCC(O)CCCCCCCCCCC(=O)OC,4625.0,4.0,1.0,1.0,314.50999999999993,19.0,3.0,CCCCCCC(O)CCCCCCCCCCC(=O)OC,3.6651117370750512,Methyl 12-hydroxyoctadecanoate
CCCCCCC(O)CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC(O)CCCCCC)COC(=O)CCCCCCCCCCC(O)CCCCCC,10001.0,0.0,0.0,2.0,939.4979999999993,57.0,9.0,CCCCCCC(O)CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC(O)CCCCCC)COC(=O)CCCCCCCCCCC(O)CCCCCC,4.000043427276863,
CCCCCCC(O)CCCCCCCCCCC(O)=O,2751.0,4.0,1.0,1.0,300.4829999999999,18.0,3.0,CCCCCCC(O)CCCCCCCCCCC(O)=O,3.4394905903896835,"Octadecanoic acid, 12-hydroxy-, sodium salt (1:1)"
CCCCCCC(O)CCO,10001.0,4.0,1.0,0.0,160.25699999999998,9.0,2.0,CCCCCCC(O)CCO,4.000043427276863,"1,3-Nonanediol"
CCCCCCC(O)CO,2751.0,3.0,1.0,0.0,146.23,8.0,2.0,CCCCCCC(O)CO,3.4394905903896835,"1,2-Octanediol"
CCCCCCC1(C)CCC(=O)O1,6251.0,4.0,2.0,0.0,184.27899999999997,11.0,2.0,CCCCCCC1(C)CCC(=O)O1,3.7959494989028033,Dihydrojasmone lactone
CCCCCCC1=CC=CC=C1O,1300.0,4.0,1.0,0.0,178.275,12.0,1.0,CCCCCCC1=CC=CC=C1O,3.113943352306837,"Phenol, o-hexyl-"
CCCCCCC1=CCCC1=O,5000.0,4.0,2.0,0.0,166.26399999999998,11.0,1.0,CCCCCCC1=CCCC1=O,3.6989700043360187,2-Hexylcyclopent-2-enone
CCCCCCC1C=CC(=CC=1)OP(=O)(OC1C=CC=CC=1)OC1C=CC=CC=1,10001.0,3.0,0.0,1.0,410.4500000000001,24.0,4.0,CCCCCCC1C=CC(=CC=1)OP(=O)(OC1C=CC=CC=1)OC1C=CC=CC=1,4.000043427276863,Diphenyl p-hexylphenyl phosphate
CCCCCCC1C=CC(O)=CC=1O,550.0,4.0,1.0,0.0,194.274,12.0,2.0,CCCCCCC1C=CC(O)=CC=1O,2.7403626894942437,4-Hexylresorcinol
CCCCCCC1CCCC1=O,6251.0,4.0,2.0,0.0,168.27999999999997,11.0,1.0,CCCCCCC1CCCC1=O,3.7959494989028033,CERAPP_34457
CCCCCCC=C,5600.0,2.0,2.0,0.0,112.216,8.0,0.0,CCCCCCC=C,3.7481880270062002,1-Octene
CCCCCCC=CC1CC(=O)OC1=O,1098.0,4.0,2.0,0.0,210.2729999999999,12.0,3.0,CCCCCCC=CC1CC(=O)OC1=O,3.040602340114073,"2,5-Furandione, dihydro-3-(octenyl)-"
CCCCCCC=O,5801.0,2.0,2.0,0.0,114.188,7.0,1.0,CCCCCCC=O,3.763502865467597,Heptanal
CCCCCCCC(=O)CC(=O)C1C=CC=CC=1,5500.0,4.0,0.0,0.0,246.35,16.0,2.0,CCCCCCCC(=O)CC(=O)C1C=CC=CC=1,3.7403626894942437,"1,3-Decanedione, 1-phenyl-"
CCCCCCCC(=O)Cl,3500.0,4.0,2.0,0.0,162.66,8.0,1.0,CCCCCCCC(=O)Cl,3.5440680443502757,Caprylyl chloride
CCCCCCCC(=O)N(C)C,3500.0,4.0,1.0,0.0,171.284,10.0,1.0,CCCCCCCC(=O)N(C)C,3.5440680443502757,"N,N-Dimethyloctanamide"
CCCCCCCC(=O)NCC(O)=O,10000.0,4.0,1.0,0.0,201.266,10.0,3.0,CCCCCCCC(=O)NCC(O)=O,4.0,"Glycine, N-(1-oxooctyl)-"
CCCCCCCC(=O)NCCN(CCC(O)=O)CCO,3500.0,4.0,2.0,0.0,302.415,15.0,4.0,CCCCCCCC(=O)NCCN(CCC(O)=O)CCO,3.5440680443502757,"beta -Alanine, N-(2-hydroxyethyl)-N-[2-[(1-oxooctyl)amino]ethyl]-"
CCCCCCCC(=O)NO,10001.0,3.0,1.0,0.0,159.229,8.0,2.0,CCCCCCCC(=O)NO,4.000043427276863,"Octanamide, N-hydroxy-"
CCCCCCCC(=O)OC,8435.0,3.0,1.0,0.0,158.241,9.0,2.0,CCCCCCCC(=O)OC,3.926085086925144,Methyl octanoate
CCCCCCCC(=O)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC,10001.0,1.0,0.0,1.0,470.6910000000005,27.0,6.0,CCCCCCCC(=O)OC(COC(=O)CCCCCCC)COC(=O)CCCCCCC,4.000043427276863,Tricaprylin
CCCCCCCC(=O)OC1C(Br)=CC(=CC=1Br)C#N,247.0,4.0,0.0,1.0,403.114,15.0,2.0,CCCCCCCC(=O)OC1C(Br)=CC(=CC=1Br)C#N,2.392696953259666,Bromoxynil octanoate
CCCCCCCC(=O)OC1C(I)=CC(=CC=1I)C#N,190.0,3.0,0.0,1.0,497.114,15.0,2.0,CCCCCCCC(=O)OC1C(I)=CC(=CC=1I)C#N,2.278753600952829,Ioxynil octanoate
CCCCCCCC(=O)OCC,10001.0,4.0,1.0,0.0,172.26799999999997,10.0,2.0,CCCCCCCC(=O)OCC,4.000043427276863,Ethyl octanoate
CCCCCCCC(=O)OCC=C,570.0,4.0,1.0,0.0,184.27899999999997,11.0,2.0,CCCCCCCC(=O)OCC=C,2.7558748556724915,"Octanoic acid, 2-propenyl ester"
CCCCCCCC(=O)OCCC,7500.0,4.0,1.0,0.0,186.29499999999996,11.0,2.0,CCCCCCCC(=O)OCCC,3.8750612633917,Propyl octanoate
CCCCCCCC(=O)OCCC(C)C,7500.0,4.0,0.0,0.0,214.34899999999996,13.0,2.0,CCCCCCCC(=O)OCCC(C)C,3.8750612633917,"Octanoic acid, 3-methylbutyl ester"
CCCCCCCC(=O)OCCCCCC,7500.0,4.0,0.0,0.0,228.37599999999992,14.0,2.0,CCCCCCCC(=O)OCCCCCC,3.8750612633917,Hexyl octanoate
CCCCCCCC(=O)OCCOC1C=CC=CC=1,3500.0,4.0,1.0,0.0,264.36499999999995,16.0,3.0,CCCCCCCC(=O)OCCOC1C=CC=CC=1,3.5440680443502757,Phenoxyethyl caprylate
CCCCCCCC(=O)OOC(=O)CCCCCCC,7500.0,4.0,1.0,0.0,286.412,16.0,4.0,CCCCCCCC(=O)OOC(=O)CCCCCCC,3.8750612633917,"Peroxide, bis(1-oxooctyl)"
CCCCCCCC(=O)OOC(C)(C)C,10000.0,4.0,0.0,0.0,216.32099999999997,12.0,3.0,CCCCCCCC(=O)OOC(C)(C)C,4.0,"Octaneperoxoic acid, 1,1-dimethylethyl ester"
CCCCCCCC(=O)SCCC[Si](OCC)(OCC)OCC,3500.0,4.0,0.0,1.0,364.6240000000002,17.0,4.0,CCCCCCCC(=O)SCCC[Si](OCC)(OCC)OCC,3.5440680443502757,"Octanethioic acid, S-[3-(triethoxysilyl)propyl] ester"
CCCCCCCC(C)=O,3200.0,3.0,1.0,0.0,142.242,9.0,1.0,CCCCCCCC(C)=O,3.505149978319906,2-Nonanone
CCCCCCCC(O)=O,2423.0,3.0,2.0,0.0,144.214,8.0,2.0,CCCCCCCC(O)=O,3.384353414137506,Ammonium octanoate
CCCCCCCC(OC)OC,3500.0,4.0,1.0,0.0,174.284,10.0,2.0,CCCCCCCC(OC)OC,3.5440680443502757,"1,1-Dimethoxyoctane"
CCCCCCCC1=NCCN1CCO,3500.0,4.0,1.0,0.0,212.33699999999996,12.0,1.0,CCCCCCCC1=NCCN1CCO,3.5440680443502757,"1H-Imidazole-1-ethanol, 2-heptyl-4,5-dihydro-"
CCCCCCCC1C=C(C)C(O)=C(C)C=1,1600.0,4.0,0.0,0.0,220.356,15.0,1.0,CCCCCCCC1C=C(C)C(O)=C(C)C=1,3.2041199826559246,"4-Heptyl-2,6-dimethylphenol"
CCCCCCCC1C=CC(O)=CC=1,3500.0,4.0,0.0,0.0,192.302,13.0,1.0,CCCCCCCC1C=CC(O)=CC=1,3.5440680443502757,4-Heptylphenol
CCCCCCCC1C=CC=CC=1O,2750.0,4.0,0.0,0.0,192.302,13.0,1.0,CCCCCCCC1C=CC=CC=1O,3.439332693830263,
CCCCCCCC1CCC(=O)O1,10001.0,4.0,2.0,0.0,184.27899999999997,11.0,2.0,CCCCCCCC1CCC(=O)O1,4.000043427276863,5-Heptyldihydro-2(3H)-furanone
CCCCCCCC1CCCC(=O)O1,7500.0,4.0,2.0,0.0,198.30599999999995,12.0,2.0,CCCCCCCC1CCCC(=O)O1,3.8750612633917,5-Dodecanolide
CCCCCCCC1CCCC1=O,6251.0,4.0,1.0,0.0,182.30699999999996,12.0,1.0,CCCCCCCC1CCCC1=O,3.7959494989028033,2-Heptylcyclopentanone
CCCCCCCC1CCCO1,7500.0,4.0,1.0,0.0,170.29599999999996,11.0,1.0,CCCCCCCC1CCCO1,3.8750612633917,2-Heptyltetrahydrofuran
CCCCCCCC1N(CCO)C=CN1CCC(O)=O,1940.0,4.0,2.0,0.0,284.4,15.0,3.0,CCCCCCCC1N(CCO)C=CN1CCC(O)=O,3.287801729930226,"1H-Imidazole-1-propanoic acid, 2-heptyl-2,3-dihydro-3-(2-hydroxyethyl)-, sodium salt (1:1)"
CCCCCCCC=CC=O,7500.0,3.0,1.0,0.0,154.253,10.0,1.0,CCCCCCCC=CC=O,3.8750612633917,2-Decenal
CCCCCCCC=O,5123.0,2.0,2.0,0.0,128.215,8.0,1.0,CCCCCCCC=O,3.709524355876341,Octanal
CCCCCCCCC(=O)OCC,10001.0,4.0,1.0,0.0,186.295,11.0,2.0,CCCCCCCCC(=O)OCC,4.000043427276863,Ethyl nonanoate
CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC)(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC,3500.0,0.0,0.0,2.0,697.051,41.0,8.0,CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC)(COC(=O)CCCCCCCC)COC(=O)CCCCCCCC,3.5440680443502757,"Nonanoic acid, 2,2-bis[[(1-oxononyl)oxy]methyl]-1,3-propanediyl ester"
CCCCCCCCC(C)C#N,3500.0,4.0,0.0,0.0,167.296,11.0,0.0,CCCCCCCCC(C)C#N,3.5440680443502757,CERAPP_44881
CCCCCCCCC(C)C=O,4251.0,4.0,0.0,0.0,170.296,11.0,1.0,CCCCCCCCC(C)C=O,3.628491104967123,2-Methyldecanal
CCCCCCCCC(C)CCCCCCCCC=C,7033.0,3.0,1.0,1.0,280.53999999999996,20.0,0.0,CCCCCCCCC(C)CCCCCCCCC=C,3.847140617413406,"1-Decene, dimer"
CCCCCCCCC(CC=CCl)CCCN,1320.0,4.0,1.0,1.0,259.86499999999995,15.0,0.0,CCCCCCCCC(CC=CCl)CCCN,3.12057393120585,
CCCCCCCCC(O)=O,2751.0,3.0,1.0,0.0,158.241,9.0,2.0,CCCCCCCCC(O)=O,3.4394905903896835,Ammonium nonanoate
CCCCCCCCC/C(/O)=N/P(=O)(OC)SC,125.0,4.0,1.0,1.0,295.385,12.0,3.0,CCCCCCCCC/C(/O)=N/P(=O)(OC)SC,2.0969100130080562,
CCCCCCCCC1C=CC(=CC=1)C1C=CC(=CC=1)C#N,2200.0,3.0,1.0,1.0,291.43800000000005,21.0,0.0,CCCCCCCCC1C=CC(=CC=1)C1C=CC(=CC=1)C#N,3.342422680822206,"[1,1'-Biphenyl]-4-carbonitrile, 4'-octyl-"
CCCCCCCCC1C=CC(=CC=1)C1C=CC=CC=1,2400.0,3.0,1.0,1.0,266.42800000000005,20.0,0.0,CCCCCCCCC1C=CC(=CC=1)C1C=CC=CC=1,3.380211241711606,"1,1'-Biphenyl, 4-octyl-"
CCCCCCCCC1C=CC=CC=1O,2800.0,4.0,0.0,0.0,206.32900000000004,14.0,1.0,CCCCCCCCC1C=CC=CC=1O,3.4471580313422194,"Phenol, 2-octyl-"
CCCCCCCCC1CO1,7500.0,3.0,1.0,0.0,156.26899999999998,10.0,1.0,CCCCCCCCC1CO1,3.8750612633917,"1,2-Epoxydecane"
CCCCCCCCC=C,3500.0,3.0,0.0,0.0,140.27,10.0,0.0,CCCCCCCCC=C,3.5440680443502757,1-Decene
CCCCCCCCC=CCCCCCCCC#N,10000.0,3.0,1.0,1.0,263.4689999999999,18.0,0.0,CCCCCCCCC=CCCCCCCCC#N,4.0,"9-Octadecenenitrile, (9Z)-"
CCCCCCCCC=CCCCCCCCC(=O)N(C)CC(O)=O,5125.0,4.0,0.0,1.0,353.547,21.0,3.0,CCCCCCCCC=CCCCCCCCC(=O)N(C)CC(O)=O,3.7096938697277917,"Glycine, N-methyl-N-[(9Z)-1-oxo-9-octadecen-1-yl]-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)"
CCCCCCCCC=CCCCCCCCC(=O)N(C)CCS(O)(=O)=O,1700.0,4.0,0.0,1.0,403.6290000000001,21.0,4.0,CCCCCCCCC=CCCCCCCCC(=O)N(C)CCS(O)(=O)=O,3.230448921378274,"Ethanesulfonic acid, 2-[methyl[(9Z)-1-oxo-9-octadecen-1-yl]amino]-"
CCCCCCCCC=CCCCCCCCC(=O)N(CCCC)CCCC,2751.0,2.0,0.0,1.0,393.7000000000002,26.0,1.0,CCCCCCCCC=CCCCCCCCC(=O)N(CCCC)CCCC,3.4394905903896835,"9-Octadecenamide, N,N-dibutyl-, (9Z)-"
CCCCCCCCC=CCCCCCCCC(=O)N(CCO)CCO,10000.0,4.0,0.0,0.0,369.5900000000001,22.0,3.0,CCCCCCCCC=CCCCCCCCC(=O)N(CCO)CCO,4.0,"(9Z)-N,N-Bis(2-hydroxyethyl)octadec-9-enamide"
CCCCCCCCC=CCCCCCCCC(=O)NCC(C)O,2751.0,4.0,1.0,1.0,339.56399999999996,21.0,2.0,CCCCCCCCC=CCCCCCCCC(=O)NCC(C)O,3.4394905903896835,"9-Octadecenamide, N-(2-hydroxypropyl)-, (9Z)-"
CCCCCCCCC=CCCCCCCCC(=O)NCCCN(C)C,3500.0,2.0,0.0,1.0,366.63400000000007,23.0,1.0,CCCCCCCCC=CCCCCCCCC(=O)NCCCN(C)C,3.5440680443502757,"Propanoic acid, 2-hydroxy-, compd. with (9Z)-N-[3-(dimethylamino)propyl]-9-octadecenamide (1:1)"
CCCCCCCCC=CCCCCCCCC(=O)NCCN(CCO)CC(O)CS(O)(=O)=O,3500.0,1.0,0.0,1.0,506.7500000000002,25.0,6.0,CCCCCCCCC=CCCCCCCCC(=O)NCCN(CCO)CC(O)CS(O)(=O)=O,3.5440680443502757,"1-Propanesulfonic acid, 2-hydroxy-3-[(2-hydroxyethyl)[2-[(1-oxo-9-octadecen-1-yl)amino]ethyl]amino]-, sodium salt (1:1)"
CCCCCCCCC=CCCCCCCCC(=O)NCCOCCO,3500.0,4.0,0.0,1.0,369.5900000000001,22.0,3.0,CCCCCCCCC=CCCCCCCCC(=O)NCCOCCO,3.5440680443502757,"9-Octadecenamide, N-[2-(2-hydroxyethoxy)ethyl]-, (9Z)-"
CCCCCCCCC=CCCCCCCCC(=O)NCCS(O)(=O)=O,4000.0,4.0,0.0,1.0,389.602,20.0,4.0,CCCCCCCCC=CCCCCCCCC(=O)NCCS(O)(=O)=O,3.6020599913279625,Sodium N-oleoyltaurate
CCCCCCCCC=CCCCCCCCC(=O)OC(C)C,2751.0,3.0,1.0,1.0,324.549,21.0,2.0,CCCCCCCCC=CCCCCCCCC(=O)OC(C)C,3.4394905903896835,"9-Octadecenoic acid (9Z)-, 1-methylethyl ester"
CCCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC,2751.0,0.0,0.0,2.0,885.4529999999991,57.0,6.0,CCCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC,3.4394905903896835,Glyceryl trioleate
CCCCCCCCC=CCCCCCCCC(=O)OC1C(OCC1OC(=O)CCCCCCCC=CCCCCCCCC)C(O)COC(=O)CCCCCCCC=CCCCCCCCC,10001.0,0.0,0.0,2.0,957.5159999999988,60.0,8.0,CCCCCCCCC=CCCCCCCCC(=O)OC1C(OCC1OC(=O)CCCCCCCC=CCCCCCCCC)C(O)COC(=O)CCCCCCCC=CCCCCCCCC,4.000043427276863,"Sorbitan, tri-(9Z)-9-octadecenoate"
CCCCCCCCC=CCCCCCCCC(=O)OCC,7500.0,3.0,1.0,1.0,310.522,20.0,2.0,CCCCCCCCC=CCCCCCCCC(=O)OCC,3.8750612633917,Ethyl oleate
CCCCCCCCC=CCCCCCCCC(=O)OCC(OC(=O)CCCCCCCC=CCCCCCCCC)C1OCC(O)C1O,10001.0,0.0,0.0,2.0,693.0630000000002,42.0,7.0,CCCCCCCCC=CCCCCCCCC(=O)OCC(OC(=O)CCCCCCCC=CCCCCCCCC)C1OCC(O)C1O,4.000043427276863,Sorbitan sesquioleate
CCCCCCCCC=CCCCCCCCC(=O)OCC1CO1,3520.0,3.0,1.0,1.0,338.53200000000004,21.0,3.0,CCCCCCCCC=CCCCCCCCC(=O)OCC1CO1,3.546542663478131,
CCCCCCCCC=CCCCCCCCC(O)=O,8750.5,3.0,1.0,1.0,282.4679999999999,18.0,2.0,CCCCCCCCC=CCCCCCCCC(O)=O,3.9420328691408253,Oleic acid Diethanolamine
CCCCCCCCC=CCCCCCCCC1=NCCN1CCO,1085.0,3.0,0.0,1.0,350.59100000000007,22.0,1.0,CCCCCCCCC=CCCCCCCCC1=NCCN1CCO,3.0354297381845483,2-(8-Heptadecenyl)-2-imidazoline-1-ethanol
CCCCCCCCC=CCCCCCCCCCCCC(N)=O,3125.0,3.0,1.0,1.0,337.5920000000001,22.0,1.0,CCCCCCCCC=CCCCCCCCCCCCC(N)=O,3.494850021680094,Erucamide
CCCCCCCCC=CCCCCCCCCCCCC(O)=O,10001.0,3.0,1.0,1.0,338.5760000000001,22.0,2.0,CCCCCCCCC=CCCCCCCCCCCCC(O)=O,4.000043427276863,"13-Docosenoic acid, potassium salt, (13Z)-"
CCCCCCCCC=CCCCCCCCCN(CCO)CCO,1289.0,4.0,0.0,1.0,355.6070000000001,22.0,2.0,CCCCCCCCC=CCCCCCCCCN(CCO)CCO,3.110252917353403,"Ethanol, 2,2'-(9-octadecen-1-ylimino)bis-"
CCCCCCCCC=CCCCCCCCCNCCCN,688.0,3.0,1.0,1.0,324.59700000000004,21.0,0.0,CCCCCCCCC=CCCCCCCCCNCCCN,2.837588438235511,"N-cis-9-Octadecenyl-1,3-propylenediamine diacetate"
CCCCCCCCC=CCCCCCCCCOCC1CO1,3500.0,3.0,1.0,1.0,324.54900000000004,21.0,2.0,CCCCCCCCC=CCCCCCCCCOCC1CO1,3.5440680443502757,"Oxirane, 2-[[(9Z)-9-octadecen-1-yloxy]methyl]-"
CCCCCCCCC=CCCCCCCCCOP(=O)OCCCCCCCCC=CCCCCCCCC,3500.0,0.0,0.0,2.0,582.9350000000002,36.0,3.0,CCCCCCCCC=CCCCCCCCCOP(=O)OCCCCCCCCC=CCCCCCCCC,3.5440680443502757,"Phosphonic acid, di-9-octadecenyl ester"
CCCCCCCCC=CCCCCCCCC[N+](C)(C)CC,500.0,3.0,1.0,1.0,324.617,22.0,0.0,CCCCCCCCC=CCCCCCCCC[N+](C)(C)CC,2.6989700043360187,Ethyl dimethyl oleyl ammonium bromide
CCCCCCCCC=CCCCCCCCC[N+](C)(CCO)CCO,1710.0,3.0,0.0,1.0,370.6420000000001,23.0,2.0,CCCCCCCCC=CCCCCCCCC[N+](C)(CCO)CCO,3.2329961103921536,"(9Z)-N,N-Bis(2-hydroxyethyl)-N-methyloctadec-9-en-1-aminium chloride"
CCCCCCCCC=CCCCCCCOC(C)=O,10001.0,3.0,1.0,1.0,282.46799999999996,18.0,2.0,CCCCCCCCC=CCCCCCCOC(C)=O,4.000043427276863,
CCCCCCCCC=O,7500.0,3.0,1.0,0.0,142.242,9.0,1.0,CCCCCCCCC=O,3.8750612633917,Nonanal
CCCCCCCCCC,10001.0,3.0,0.0,0.0,142.286,10.0,0.0,CCCCCCCCCC,4.000043427276863,Decane
CCCCCCCCCC(=O)N(C)C,2751.0,4.0,1.0,0.0,199.338,12.0,1.0,CCCCCCCCCC(=O)N(C)C,3.4394905903896835,"N,N-Dimethyldecanamide"
CCCCCCCCCC(=O)OC1(CCN(CCCC(=O)C2C=CC(F)=CC=2)CC1)C1C=CC(Cl)=CC=1,1717.0,0.0,0.0,2.0,530.1240000000003,31.0,3.0,CCCCCCCCCC(=O)OC1(CCN(CCCC(=O)C2C=CC(F)=CC=2)CC1)C1C=CC(Cl)=CC=1,3.2347702951609163,Haloperidol decanoate
CCCCCCCCCC(=O)OC1C=CC(=CC=1)C(O)=O,2751.0,4.0,1.0,0.0,292.375,17.0,4.0,CCCCCCCCCC(=O)OC1C=CC(=CC=1)C(O)=O,3.4394905903896835,4-decanoyloxybenzoic Acid
CCCCCCCCCC(=O)OCCN1CCN(CCCN2C3=CC=CC=C3SC3C=CC(=CC2=3)C(F)(F)F)CC1,19.0,0.0,0.0,2.0,591.7840000000001,32.0,2.0,CCCCCCCCCC(=O)OCCN1CCN(CCCN2C3=CC=CC=C3SC3C=CC(=CC2=3)C(F)(F)F)CC1,1.2787536009528289,Fluphenazine decanoate
CCCCCCCCCC(C)=O,4376.0,4.0,0.0,0.0,170.296,11.0,1.0,CCCCCCCCCC(C)=O,3.641077313325374,2-Undecanone
CCCCCCCCCC(C)C=O,6251.0,4.0,0.0,0.0,184.323,12.0,1.0,CCCCCCCCCC(C)C=O,3.7959494989028033,2-Methylundecanal
CCCCCCCCCC(CC)C1C=CC(=CC=1)S(O)(=O)=O,1880.0,4.0,1.0,1.0,326.50200000000007,18.0,3.0,CCCCCCCCCC(CC)C1C=CC(=CC=1)S(O)(=O)=O,3.27415784926368,4-(3-Dodecanyl)benzenesulfonic acid
CCCCCCCCCC(O)=O,5638.0,4.0,1.0,0.0,172.268,10.0,2.0,CCCCCCCCCC(O)=O,3.7511250715355837,Decanoic acid
CCCCCCCCCC(OC)OC,7500.0,4.0,0.0,0.0,202.338,12.0,2.0,CCCCCCCCCC(OC)OC,3.8750612633917,"Decane, 1,1-dimethoxy-"
CCCCCCCCCC1=CC=C(C=C1)OCCOS(O)(=O)=O,10000.0,4.0,1.0,0.0,344.473,17.0,5.0,CCCCCCCCCC1=CC=C(C=C1)OCCOS(O)(=O)=O,4.0,Polyethylene glycol nonylphenyl ether sulfate sodium salt
CCCCCCCCCC1C=CC(=CC=1)OCC(O)=O,1674.0,4.0,1.0,0.0,278.392,17.0,3.0,CCCCCCCCCC1C=CC(=CC=1)OCC(O)=O,3.2237554536572413,"Acetic acid, 2-(4-nonylphenoxy)-"
CCCCCCCCCC1C=CC(=CC=1)OCCOCCO,2867.0,4.0,1.0,0.0,308.462,19.0,3.0,CCCCCCCCCC1C=CC(=CC=1)OCCOCCO,3.4574276929464847,
CCCCCCCCCC1C=CC(=CC=1)OP(OC1C=CC(CCCCCCCCC)=CC=1)OC1C=CC(CCCCCCCCC)=CC=1,10000.0,0.0,0.0,2.0,689.0179999999999,45.0,3.0,CCCCCCCCCC1C=CC(=CC=1)OP(OC1C=CC(CCCCCCCCC)=CC=1)OC1C=CC(CCCCCCCCC)=CC=1,4.0,"Phenol, nonyl-, phosphite (3:1)"
CCCCCCCCCC1C=CC(O)=CC=1,1620.0,4.0,0.0,0.0,220.356,15.0,1.0,CCCCCCCCCC1C=CC(O)=CC=1,3.2095150145426308,4-Nonylphenol
CCCCCCCCCC1N=C(N)N=C(N)N=1,3161.0,4.0,1.0,0.0,237.351,12.0,0.0,CCCCCCCCCC1N=C(N)N=C(N)N=1,3.49982449583958,"6-Nonyl-1,3,5-triazine-2,4-diamine"
CCCCCCCCCC=CC(=O)OC(=O)C=CCCCCCCCCC,3800.0,3.0,0.0,1.0,378.5970000000004,24.0,3.0,CCCCCCCCCC=CC(=O)OC(=O)C=CCCCCCCCCC,3.57978359661681,
CCCCCCCCCC=CC=O,7500.0,4.0,0.0,0.0,182.307,12.0,1.0,CCCCCCCCCC=CC=O,3.8750612633917,Dodec-2-en-1-al
CCCCCCCCCC=CCC1CC(=O)OC1=O,3500.0,4.0,1.0,0.0,266.381,16.0,3.0,CCCCCCCCCC=CCC1CC(=O)OC1=O,3.5440680443502757,(2-Dodecenyl)succinic anhydride
CCCCCCCCCC=O,3730.0,3.0,1.0,0.0,156.269,10.0,1.0,CCCCCCCCCC=O,3.571708831808688,Decanal
CCCCCCCCCCBr,2752.0,4.0,0.0,0.0,221.182,10.0,0.0,CCCCCCCCCCBr,3.4396484295634737,1-Bromodecane
CCCCCCCCCCC,10001.0,3.0,0.0,0.0,156.313,11.0,0.0,CCCCCCCCCCC,4.000043427276863,Undecane
CCCCCCCCCCC(COC(=O)C1CCC(=O)N1)CCCCCCCC,3500.0,2.0,0.0,1.0,409.65500000000014,25.0,3.0,CCCCCCCCCCC(COC(=O)C1CCC(=O)N1)CCCCCCCC,3.5440680443502757,2-Octyldodecyl 5-oxo-L-prolinate
CCCCCCCCCCC1CO1,7500.0,4.0,0.0,0.0,184.323,12.0,1.0,CCCCCCCCCCC1CO1,3.8750612633917,"1,2-Epoxydodecane"
CCCCCCCCCCC=C,5600.0,4.0,0.0,0.0,168.32399999999998,12.0,0.0,CCCCCCCCCCC=C,3.7481880270062002,1-Dodecene
CCCCCCCCCCC=O,6251.0,4.0,0.0,0.0,170.296,11.0,1.0,CCCCCCCCCCC=O,3.7959494989028033,Undecanal
CCCCCCCCCCCC,10001.0,4.0,0.0,0.0,170.33999999999995,12.0,0.0,CCCCCCCCCCCC,4.000043427276863,Dodecane
CCCCCCCCCCCC#N,3176.0,4.0,0.0,0.0,181.323,12.0,0.0,CCCCCCCCCCCC#N,3.5018804937550585,Dodecanenitrile
CCCCCCCCCCCC(=O)Cl,3220.0,4.0,0.0,0.0,218.76799999999997,12.0,1.0,CCCCCCCCCCCC(=O)Cl,3.507855871695831,Dodecanoyl chloride
CCCCCCCCCCCC(=O)N(C)CC(O)=O,4875.5,4.0,2.0,0.0,271.40099999999995,15.0,3.0,CCCCCCCCCCCC(=O)N(C)CC(O)=O,3.688019160774239,"Glycine, N-methyl-N-(1-oxododecyl)-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)"
CCCCCCCCCCCC(=O)N(CC)CC,3200.0,4.0,1.0,0.0,255.4459999999999,16.0,1.0,CCCCCCCCCCCC(=O)N(CC)CC,3.505149978319906,"N,N-Diethyldodecanamide"
CCCCCCCCCCCC(=O)N(CCO)CCO,2700.0,4.0,2.0,0.0,287.444,16.0,3.0,CCCCCCCCCCCC(=O)N(CCO)CCO,3.4313637641589874,"N,N-Bis(2-hydroxyethyl)dodecanamide"
CCCCCCCCCCCC(=O)NC(CCC(O)=O)C(O)=O,3500.0,4.0,2.0,0.0,329.437,17.0,5.0,CCCCCCCCCCCC(=O)NC(CCC(O)=O)C(O)=O,3.5440680443502757,"L-Glutamic acid, N-(1-oxododecyl)-, sodium salt (1:1)"
CCCCCCCCCCCC(=O)NCCO,3500.0,4.0,1.0,0.0,243.39099999999996,14.0,2.0,CCCCCCCCCCCC(=O)NCCO,3.5440680443502757,Laurylethanolamide
CCCCCCCCCCCC(=O)OC,10001.0,4.0,0.0,0.0,214.34899999999996,13.0,2.0,CCCCCCCCCCCC(=O)OC,4.000043427276863,Methyl dodecanoate
CCCCCCCCCCCC(=O)OC=C,2751.0,4.0,0.0,0.0,226.35999999999993,14.0,2.0,CCCCCCCCCCCC(=O)OC=C,3.4394905903896835,"Dodecanoic acid, ethenyl ester"
CCCCCCCCCCCC(=O)OCC(O)C1OCC(O)C1O,10001.0,4.0,2.0,0.0,346.46400000000006,18.0,6.0,CCCCCCCCCCCC(=O)OCC(O)C1OCC(O)C1O,4.000043427276863,"D-Glucitol, 1,4-anhydro-, 6-dodecanoate"
CCCCCCCCCCCC(=O)OCC(O)CO,10001.0,4.0,2.0,0.0,274.40099999999995,15.0,4.0,CCCCCCCCCCCC(=O)OCC(O)CO,4.000043427276863,1-Monolaurin
CCCCCCCCCCCC(=O)OCCCCCCCC,7500.0,3.0,1.0,1.0,312.53800000000007,20.0,2.0,CCCCCCCCCCCC(=O)OCCCCCCCC,3.8750612633917,"Dodecanoic acid, octyl ester"
CCCCCCCCCCCC(=O)OCCCCCCCCCC,7500.0,3.0,1.0,1.0,340.59200000000016,22.0,2.0,CCCCCCCCCCCC(=O)OCCCCCCCCCC,3.8750612633917,"Dodecanoic acid, decyl ester"
CCCCCCCCCCCC(=O)OCCCCCCCCCCCC,7500.0,2.0,0.0,1.0,368.64600000000024,24.0,2.0,CCCCCCCCCCCC(=O)OCCCCCCCCCCCC,3.8750612633917,Lauryl laurate
CCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC,8325.0,2.0,0.0,1.0,396.70000000000033,26.0,2.0,CCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC,3.9203842421783577,"Dodecanoic acid, tetradecyl ester"
CCCCCCCCCCCC(=O)OCCSC#N,500.0,4.0,1.0,0.0,285.453,15.0,2.0,CCCCCCCCCCCC(=O)OCCSC#N,2.6989700043360187,2-Thiocyanatoethyl dodecanoate
CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC,2751.0,2.0,0.0,1.0,398.6280000000004,24.0,4.0,CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCC,3.4394905903896835,"Peroxide, bis(1-oxododecyl)"
CCCCCCCCCCCC(O)=O,10001.0,4.0,0.0,0.0,200.32199999999995,12.0,2.0,CCCCCCCCCCCC(O)=O,4.000043427276863,Monoethanolamine laurate
CCCCCCCCCCCC1CC(=O)C(CCCCCC)C(=O)O1,3500.0,3.0,0.0,1.0,352.55900000000014,22.0,3.0,CCCCCCCCCCCC1CC(=O)C(CCCCCC)C(=O)O1,3.5440680443502757,"3-Hexyl-4-hydroxy-6-undecyl-5,6-dihydro-2H-pyran-2-one"
CCCCCCCCCCCC1CC(O)C(CCCCCC)C(=O)O1,3500.0,3.0,0.0,1.0,354.57500000000016,22.0,3.0,CCCCCCCCCCCC1CC(O)C(CCCCCC)C(=O)O1,3.5440680443502757,"(3S,4S,6R)-3-Hexyl-4-hydroxy-6-undecyloxan-2-one (non-preferred name)"
CCCCCCCCCCCC=O,10001.0,4.0,0.0,0.0,184.323,12.0,1.0,CCCCCCCCCCCC=O,4.000043427276863,Dodecanal
CCCCCCCCCCCCBr,3125.0,4.0,0.0,1.0,249.23599999999996,12.0,0.0,CCCCCCCCCCCCBr,3.494850021680094,1-Bromododecane
CCCCCCCCCCCCC,10001.0,4.0,0.0,1.0,184.36699999999996,13.0,0.0,CCCCCCCCCCCCC,4.000043427276863,Tridecane
CCCCCCCCCCCCC(Br)C(O)=O,800.0,4.0,1.0,1.0,307.27200000000005,14.0,2.0,CCCCCCCCCCCCC(Br)C(O)=O,2.9030899869919438,"Tetradecanoic acid, 2-bromo-"
CCCCCCCCCCCCC(CCCCCCCCCC)C(O)=O,3500.0,2.0,0.0,1.0,368.6460000000002,24.0,2.0,CCCCCCCCCCCCC(CCCCCCCCCC)C(O)=O,3.5440680443502757,"Tetradecanoic acid, 2-decyl-"
CCCCCCCCCCCCC(CO)CCCCCCCCCC,10001.0,2.0,0.0,1.0,354.6630000000002,24.0,1.0,CCCCCCCCCCCCC(CO)CCCCCCCCCC,4.000043427276863,"1-Tetradecanol, 2-decyl-"
CCCCCCCCCCCCC1CC(=O)N(C2CC(C)(C)NC(C)(C)C2)C1=O,2000.0,2.0,0.0,1.0,406.6550000000002,25.0,2.0,CCCCCCCCCCCCC1CC(=O)N(C2CC(C)(C)NC(C)(C)C2)C1=O,3.3010299956639813,"Octadecanoic acid, compd. with 3-dodecyl-1-(2,2,6,6-tetramethyl-4-piperidinyl)-2,5-pyrrolidinedione (1:1)"
CCCCCCCCCCCCC1CO1,7500.0,4.0,0.0,0.0,212.37699999999995,14.0,1.0,CCCCCCCCCCCCC1CO1,3.8750612633917,"1,2-Epoxytetradecane"
CCCCCCCCCCCCC=C,5600.0,4.0,0.0,1.0,196.37799999999996,14.0,0.0,CCCCCCCCCCCCC=C,3.7481880270062002,1-Tetradecene
CCCCCCCCCCCCCC,10001.0,3.0,0.0,1.0,198.39399999999995,14.0,0.0,CCCCCCCCCCCCCC,4.000043427276863,Tetradecane
CCCCCCCCCCCCCC(=O)OC,3500.0,4.0,0.0,0.0,242.4029999999999,15.0,2.0,CCCCCCCCCCCCCC(=O)OC,3.5440680443502757,Methyl tetradecanoate
CCCCCCCCCCCCCC(=O)OC(C)C,3613.0,3.0,1.0,1.0,270.45699999999994,17.0,2.0,CCCCCCCCCCCCCC(=O)OC(C)C,3.5578679615680224,Isopropyl tetradecanoic acid
CCCCCCCCCCCCCC(=O)OCCCC,8000.0,3.0,1.0,1.0,284.484,18.0,2.0,CCCCCCCCCCCCCC(=O)OCCCC,3.9030899869919438,Butyl myristate
CCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC,8963.0,1.0,0.0,1.0,424.7540000000004,28.0,2.0,CCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC,3.9524533964230333,Myristyl myristate
CCCCCCCCCCCCCC(O)=O,10000.0,4.0,0.0,0.0,228.37599999999995,14.0,2.0,CCCCCCCCCCCCCC(O)=O,4.0,"Tetradecanoic acid, lithium salt"
CCCCCCCCCCCCCC=CCCCCCCCC,10001.0,3.0,1.0,1.0,322.6210000000001,23.0,0.0,CCCCCCCCCCCCCC=CCCCCCCCC,4.000043427276863,(Z)-9-Tricosene
CCCCCCCCCCCCCC=O,7500.0,4.0,0.0,0.0,212.37699999999995,14.0,1.0,CCCCCCCCCCCCCC=O,3.8750612633917,Tetradecanal
CCCCCCCCCCCCCCC,6251.0,3.0,0.0,1.0,212.4209999999999,15.0,0.0,CCCCCCCCCCCCCCC,3.7959494989028033,Pentadecane
CCCCCCCCCCCCCCC(C)C1=CC(C)=CC(C)=C1O,2751.0,3.0,1.0,1.0,346.59900000000005,24.0,1.0,CCCCCCCCCCCCCCC(C)C1=CC(C)=CC(C)=C1O,3.4394905903896835,"2-(Hexadecan-2-yl)-4,6-dimethylphenol"
CCCCCCCCCCCCCCC1CO1,7500.0,4.0,0.0,1.0,240.43099999999993,16.0,1.0,CCCCCCCCCCCCCCC1CO1,3.8750612633917,"1,2-Epoxyhexadecane"
CCCCCCCCCCCCCCC=C,3500.0,3.0,0.0,1.0,224.43199999999993,16.0,0.0,CCCCCCCCCCCCCCC=C,3.5440680443502757,1-Hexadecene
CCCCCCCCCCCCCCCC,6251.0,3.0,0.0,1.0,226.44799999999992,16.0,0.0,CCCCCCCCCCCCCCCC,3.7959494989028033,Hexadecane
CCCCCCCCCCCCCCCC(=O)CC(=O)OC,3500.0,4.0,1.0,1.0,312.49399999999997,19.0,3.0,CCCCCCCCCCCCCCCC(=O)CC(=O)OC,3.5440680443502757,Methyl 3-oxooctadecanoate
CCCCCCCCCCCCCCCC(=O)Cl,5760.0,3.0,1.0,1.0,274.8759999999999,16.0,1.0,CCCCCCCCCCCCCCCC(=O)Cl,3.760422483423212,Hexadecanoyl chloride
CCCCCCCCCCCCCCCC(=O)N1CC(CC1C(O)=O)OC(=O)CCCCCCCCCCCCCCC,2751.0,0.0,0.0,2.0,607.961,37.0,5.0,CCCCCCCCCCCCCCCC(=O)N1CC(CC1C(O)=O)OC(=O)CCCCCCCCCCCCCCC,3.4394905903896835,"L-Proline, 1-(1-oxohexadecyl)-4-[(1-oxohexadecyl)oxy]-, (4R)-"
CCCCCCCCCCCCCCCC(=O)NC1=CC(Cl)=C(CC)C(Cl)=C1O,6251.0,3.0,0.0,1.0,444.4870000000002,24.0,2.0,CCCCCCCCCCCCCCCC(=O)NC1=CC(Cl)=C(CC)C(Cl)=C1O,3.7959494989028033,"Hexadecanamide, N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-"
CCCCCCCCCCCCCCCC(=O)NCCO,3500.0,4.0,1.0,0.0,299.499,18.0,2.0,CCCCCCCCCCCCCCCC(=O)NCCO,3.5440680443502757,Palmitoylethanolamide
CCCCCCCCCCCCCCCC(=O)OC,2751.0,3.0,1.0,1.0,270.45699999999994,17.0,2.0,CCCCCCCCCCCCCCCC(=O)OC,3.4394905903896835,Methyl hexadecanoate
CCCCCCCCCCCCCCCC(=O)OC(C)C,7500.0,3.0,1.0,1.0,298.51099999999997,19.0,2.0,CCCCCCCCCCCCCCCC(=O)OC(C)C,3.8750612633917,"Hexadecanoic acid, 1-methylethyl ester"
CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(=O)C(=O)C1O,7500.0,4.0,1.0,0.0,414.5390000000001,22.0,7.0,CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(=O)C(=O)C1O,3.8750612633917,Ascorbyl palmitate
CCCCCCCCCCCCCCCC(=O)OCC(O)C1OCC(O)C1O,10001.0,4.0,1.0,0.0,402.57200000000006,22.0,6.0,CCCCCCCCCCCCCCCC(=O)OCC(O)C1OCC(O)C1O,4.000043427276863,Sorbitan monohexadecanoate
CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,7910.0,0.0,0.0,2.0,524.8740000000004,36.0,2.0,CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,3.8981764834976764,Retinol palmitate
CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC,7500.0,0.0,0.0,1.0,480.86200000000053,32.0,2.0,CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC,3.8750612633917,Palmityl palmitate
CCCCCCCCCCCCCCCC(O)=O,8750.0,4.0,1.0,1.0,256.4299999999999,16.0,2.0,CCCCCCCCCCCCCCCC(O)=O,3.942008053022313,"Hexadecanoic acid, silver(1+) salt (1:1)"
CCCCCCCCCCCCCCCC=CCC(CC(O)=O)C(O)=O,3500.0,3.0,0.0,1.0,368.5580000000001,22.0,4.0,CCCCCCCCCCCCCCCC=CCC(CC(O)=O)C(O)=O,3.5440680443502757,CERAPP_43661
CCCCCCCCCCCCCCCC=CCC1CC(=O)OC1=O,3500.0,3.0,0.0,1.0,350.54300000000006,22.0,3.0,CCCCCCCCCCCCCCCC=CCC1CC(=O)OC1=O,3.5440680443502757,(2-Octadecen-1-yl)succinic anhydride
CCCCCCCCCCCCCCCCBr,3125.0,3.0,1.0,1.0,305.34399999999994,16.0,0.0,CCCCCCCCCCCCCCCCBr,3.494850021680094,"Hexadecane,1-bromo-"
CCCCCCCCCCCCCCCCC,7500.0,3.0,0.0,1.0,240.4749999999999,17.0,0.0,CCCCCCCCCCCCCCCCC,3.8750612633917,Heptadecane
CCCCCCCCCCCCCCCCC(CO)CCCCCCCCCCCCCC,10000.0,1.0,0.0,1.0,466.8790000000005,32.0,1.0,CCCCCCCCCCCCCCCCC(CO)CCCCCCCCCCCCCC,4.0,"1-Octadecanol, 2-tetradecyl-"
CCCCCCCCCCCCCCCCC=C,5600.0,3.0,1.0,1.0,252.4859999999999,18.0,0.0,CCCCCCCCCCCCCCCCC=C,3.7481880270062002,1-Octadecene
CCCCCCCCCCCCCCCCCC,6251.0,3.0,1.0,1.0,254.5019999999999,18.0,0.0,CCCCCCCCCCCCCCCCCC,3.7959494989028033,Octadecane
CCCCCCCCCCCCCCCCCC#N,10000.0,3.0,1.0,1.0,265.4849999999999,18.0,0.0,CCCCCCCCCCCCCCCCCC#N,4.0,Octadecanenitrile
CCCCCCCCCCCCCCCCCC(=O)Cl,6639.0,3.0,1.0,1.0,302.92999999999995,18.0,1.0,CCCCCCCCCCCCCCCCCC(=O)Cl,3.82210266864692,Octadecanoyl chloride
CCCCCCCCCCCCCCCCCC(=O)NCCCCCCCCCCCCCCCCCC,3500.0,0.0,0.0,2.0,535.9860000000004,36.0,1.0,CCCCCCCCCCCCCCCCCC(=O)NCCCCCCCCCCCCCCCCCC,3.5440680443502757,"Octadecanamide, N-octadecyl-"
CCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C,2222.0,2.0,0.0,1.0,368.6500000000001,23.0,1.0,CCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C,3.346744054604849,"Octadecanamide, N-[3-(dimethylamino)propyl]-"
CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCO,8100.0,2.0,0.0,1.0,413.7110000000002,25.0,2.0,CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCO,3.90848501887865,2-Hydroxyethyl dimethyl 3-stearamidopropyl ammonium nitrate
CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC,9440.0,0.0,0.0,2.0,593.0380000000001,38.0,2.0,CCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCC,3.974971994298069,"N,N'-Ethylene distearylamide"
CCCCCCCCCCCCCCCCCC(=O)OC,2751.0,3.0,1.0,1.0,298.51099999999997,19.0,2.0,CCCCCCCCCCCCCCCCCC(=O)OC,3.4394905903896835,Methyl stearate
CCCCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCC,3500.0,0.0,0.0,2.0,596.9780000000002,37.0,5.0,CCCCCCCCCCCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCC,3.5440680443502757,
CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC,10001.0,0.0,0.0,2.0,891.500999999999,57.0,6.0,CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC,4.000043427276863,Glyceryl tristearate
CCCCCCCCCCCCCCCCCC(=O)OCC,7500.0,3.0,1.0,1.0,312.538,20.0,2.0,CCCCCCCCCCCCCCCCCC(=O)OCC,3.8750612633917,Ethyl stearate
CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC,3500.0,0.0,0.0,2.0,1202.022999999999,77.0,8.0,CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC,3.5440680443502757,"Octadecanoic acid, 2,2-bis[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl ester"
CCCCCCCCCCCCCCCCCC(=O)OCC(O)C1OCC(O)C1O,10001.0,3.0,0.0,0.0,430.6260000000001,24.0,6.0,CCCCCCCCCCCCCCCCCC(=O)OCC(O)C1OCC(O)C1O,4.000043427276863,"Sorbitan, monooctadecanoate"
CCCCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCCCC)C1OCC(O)C1OC(=O)CCCCCCCCCCCCCCCCC,9325.0,0.0,0.0,2.0,963.563999999999,60.0,8.0,CCCCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCCCCCCCC)C1OCC(O)C1OC(=O)CCCCCCCCCCCCCCCCC,3.9696488404807253,Sorbitan tristearate
CCCCCCCCCCCCCCCCCC(=O)OCCCC,10001.0,3.0,1.0,1.0,340.5920000000001,22.0,2.0,CCCCCCCCCCCCCCCCCC(=O)OCCCC,4.000043427276863,"Octadecanoic acid, butyl ester"
CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCC,3500.0,0.0,0.0,2.0,593.0780000000002,40.0,2.0,CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCC,3.5440680443502757,Docosyl stearate
CCCCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCCCC,6251.0,0.0,0.0,2.0,595.0060000000002,38.0,4.0,CCCCCCCCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCCCCCCCC,3.7959494989028033,"Octadecanoic acid, 1,2-ethanediyl ester"
CCCCCCCCCCCCCCCCCC(=O)OCCOCCO,10000.0,3.0,0.0,1.0,372.59000000000015,22.0,4.0,CCCCCCCCCCCCCCCCCC(=O)OCCOCCO,4.0,Diethylene glycol monostearate
CCCCCCCCCCCCCCCCCC(O)=O,7187.0,3.0,1.0,1.0,284.4839999999999,18.0,2.0,CCCCCCCCCCCCCCCCCC(O)=O,3.856547644856748,"Octadecanoic acid, copper(1+) salt (1:1)"
CCCCCCCCCCCCCCCCCC1=NCCN1CCO,3800.0,3.0,0.0,1.0,352.6070000000001,22.0,1.0,CCCCCCCCCCCCCCCCCC1=NCCN1CCO,3.57978359661681,2-Heptadecyl-3-hydroxyethylimidazoline
CCCCCCCCCCCCCCCCCC1NC=CN=1,3500.0,3.0,1.0,1.0,306.5379999999999,20.0,0.0,CCCCCCCCCCCCCCCCCC1NC=CN=1,3.5440680443502757,"1H-Imidazole, 2-heptadecyl-"
CCCCCCCCCCCCCCCCCC1NCCN=1,3885.0,3.0,1.0,1.0,308.554,20.0,0.0,CCCCCCCCCCCCCCCCCC1NCCN=1,3.5893910231369333,Glyodin
CCCCCCCCCCCCCCCCCCBr,3504.0,3.0,1.0,1.0,333.3979999999999,18.0,0.0,CCCCCCCCCCCCCCCCCCBr,3.544564097496043,"Octadecane, 1-bromo-"
CCCCCCCCCCCCCCCCCCCC,6251.0,3.0,1.0,1.0,282.5559999999999,20.0,0.0,CCCCCCCCCCCCCCCCCCCC,3.7959494989028033,Eicosane
CCCCCCCCCCCCCCCCCCCCCC,7500.0,3.0,1.0,1.0,310.61,22.0,0.0,CCCCCCCCCCCCCCCCCCCCCC,3.8750612633917,Docosane
CCCCCCCCCCCCCCCCCCCCCC(=O)NC1C=CN(C2OC(CO)C(O)C2O)C(=O)N=1,1000.0,0.0,0.0,2.0,565.7960000000002,31.0,6.0,CCCCCCCCCCCCCCCCCCCCCC(=O)NC1C=CN(C2OC(CO)C(O)C2O)C(=O)N=1,3.0,Enocitabine
CCCCCCCCCCCCCCCCCCCCCC(=O)OC1C(OCC1OC(=O)CCCCCCCCCCCCCCCCCCCCC)C(CO)OC(=O)CCCCCCCCCCCCCCCCCCCCC,3500.0,0.0,0.0,2.0,1131.8879999999983,72.0,8.0,CCCCCCCCCCCCCCCCCCCCCC(=O)OC1C(OCC1OC(=O)CCCCCCCCCCCCCCCCCCCCC)C(CO)OC(=O)CCCCCCCCCCCCCCCCCCCCC,3.5440680443502757,"Sorbitan, tridocosanoate"
CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC,3500.0,0.0,0.0,2.0,593.0780000000002,40.0,2.0,CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC,3.5440680443502757,Stearyl behenate
CCCCCCCCCCCCCCCCCCCCCC(O)=O,3417.3333333333335,3.0,1.0,1.0,340.59200000000004,22.0,2.0,CCCCCCCCCCCCCCCCCCCCCC(O)=O,3.533687342792544,Ammonium docosanoate
CCCCCCCCCCCCCCCCCCCCCCC1C=CC=CC=1,10001.0,2.0,0.0,1.0,386.7080000000001,28.0,0.0,CCCCCCCCCCCCCCCCCCCCCCC1C=CC=CC=1,4.000043427276863,"Benzene, C14-30-alkyl derivs."
CCCCCCCCCCCCCCCCCCCCCCO,7375.0,3.0,1.0,1.0,326.60900000000004,22.0,1.0,CCCCCCCCCCCCCCCCCCCCCCO,3.8677620246502005,1-Docosanol
CCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C,3500.0,2.0,0.0,1.0,380.65700000000027,25.0,2.0,CCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C,3.5440680443502757,Docosyl acrylate
CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCC,3500.0,0.0,0.0,2.0,819.4379999999991,54.0,4.0,CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCC,3.5440680443502757,Didocosyl sebacate
CCCCCCCCCCCCCCCCCCCCO,10000.0,3.0,1.0,1.0,298.55499999999995,20.0,1.0,CCCCCCCCCCCCCCCCCCCCO,4.0,1-Eicosanol
CCCCCCCCCCCCCCCCCCCCOC(=O)C=C,3500.0,3.0,0.0,1.0,352.6030000000002,23.0,2.0,CCCCCCCCCCCCCCCCCCCCOC(=O)C=C,3.5440680443502757,"2-Propenoic acid, eicosyl ester"
CCCCCCCCCCCCCCCCCCCl,3500.0,3.0,1.0,1.0,288.9469999999999,18.0,0.0,CCCCCCCCCCCCCCCCCCCl,3.5440680443502757,Octadecyl chloride
CCCCCCCCCCCCCCCCCCN,2225.0,3.0,1.0,1.0,269.5169999999999,18.0,0.0,CCCCCCCCCCCCCCCCCCN,3.3473300153169503,"1-Octadecanamine, hydrochloride (1:1)"
CCCCCCCCCCCCCCCCCCN(C(CC(O)=O)C(O)=O)C(=O)CC(C(O)=O)S(O)(=O)=O,6500.0,1.0,0.0,1.0,565.7260000000002,26.0,10.0,CCCCCCCCCCCCCCCCCCN(C(CC(O)=O)C(O)=O)C(=O)CC(C(O)=O)S(O)(=O)=O,3.8129133566428557,Tetrasodium N-(3-carboxyl-1-sulfopropyl)-N-stearyl aspartate
CCCCCCCCCCCCCCCCCCN(C)C,1158.5,3.0,1.0,1.0,297.5709999999999,20.0,0.0,CCCCCCCCCCCCCCCCCCN(C)C,3.0638960381259945,"N,N-dimethyloctadecylamine hydrochloride"
CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)C1C=CC=CC=1C(O)=O,7500.0,0.0,0.0,2.0,670.1200000000006,44.0,3.0,CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)C1C=CC=CC=1C(O)=O,3.8750612633917,"Benzoic acid, 2-[(dioctadecylamino)carbonyl]-"
CCCCCCCCCCCCCCCCCCNC(=O)NCCCNC(=O)NCCCCCCCCCCCCCCCCCC,10000.0,0.0,0.0,2.0,665.1489999999997,41.0,2.0,CCCCCCCCCCCCCCCCCCNC(=O)NCCCNC(=O)NCCCCCCCCCCCCCCCCCC,4.0,"1,1'-Propane-1,3-diylbis(3-octadecylurea)"
CCCCCCCCCCCCCCCCCCNC(=O)OCCOC(=O)C=C,3500.0,2.0,0.0,1.0,411.6270000000004,24.0,4.0,CCCCCCCCCCCCCCCCCCNC(=O)OCCOC(=O)C=C,3.5440680443502757,"2-Propenoic acid, 2-[[(octadecylamino)carbonyl]oxy]ethyl ester"
CCCCCCCCCCCCCCCCCCNC(C)C,1270.0,3.0,1.0,1.0,311.5979999999999,21.0,0.0,CCCCCCCCCCCCCCCCCCNC(C)C,3.103803720955957,"1-Octadecanamine, N-(1-methylethyl)-"
CCCCCCCCCCCCCCCCCCO,10001.0,3.0,1.0,1.0,270.50099999999986,18.0,1.0,CCCCCCCCCCCCCCCCCCO,4.000043427276863,1-Octadecanol
CCCCCCCCCCCCCCCCCCOC(=O)C=C,3500.0,3.0,1.0,1.0,324.5490000000001,21.0,2.0,CCCCCCCCCCCCCCCCCCOC(=O)C=C,3.5440680443502757,Stearyl acrylate
CCCCCCCCCCCCCCCCCCOC(=O)CC1C=CC(=CC=1)N(CCCl)CCCl,200.0,0.0,0.0,2.0,528.6490000000002,30.0,2.0,CCCCCCCCCCCCCCCCCCOC(=O)CC1C=CC(=CC=1)N(CCCl)CCCl,2.3010299956639813,"Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, octadecyl ester"
CCCCCCCCCCCCCCCCCCOC(=O)CCC1C=C(C(O)=C(C=1)C(C)(C)C)C(C)(C)C,6876.0,0.0,0.0,2.0,530.8780000000003,35.0,3.0,CCCCCCCCCCCCCCCCCCOC(=O)CCC1C=C(C(O)=C(C=1)C(C)(C)C)C(C)(C)C,3.837335868015015,"Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate"
CCCCCCCCCCCCCCCCCCOC(=O)CCS,818.0,3.0,0.0,1.0,358.632,21.0,2.0,CCCCCCCCCCCCCCCCCCOC(=O)CCS,2.912753303671323,"Propanoic acid, 3-mercapto-, octadecyl ester"
CCCCCCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCCCCCCCC,5156.0,0.0,0.0,2.0,683.1809999999996,42.0,4.0,CCCCCCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCCCCCCCC,3.7123129086813655,Distearyl thiodipropionate
CCCCCCCCCCCCCCCCCCOC=C,6251.0,3.0,1.0,1.0,296.539,20.0,1.0,CCCCCCCCCCCCCCCCCCOC=C,3.7959494989028033,"Octadecane, 1-(ethenyloxy)-"
CCCCCCCCCCCCCCCCCCOCCCN(C)C,3500.0,2.0,0.0,1.0,355.65100000000007,23.0,1.0,CCCCCCCCCCCCCCCCCCOCCCN(C)C,3.5440680443502757,Stearoxypropyl dimethylamine
CCCCCCCCCCCCCCCCCCOCCC[N+](C)(C)C,1150.0,2.0,0.0,1.0,370.6860000000001,24.0,1.0,CCCCCCCCCCCCCCCCCCOCCC[N+](C)(C)C,3.060697840353612,Stearoxypropyltrimonium chloride
CCCCCCCCCCCCCCCCCCOP(O)(O)=O,3500.0,3.0,0.0,1.0,350.4799999999999,18.0,4.0,CCCCCCCCCCCCCCCCCCOP(O)(O)=O,3.5440680443502757,"Phosphoric acid, monooctadecyl ester, zinc salt (1:1)"
CCCCCCCCCCCCCCCCCCOP1OCC2(COP(OC2)OCCCCCCCCCCCCCCCCCC)CO1,10000.0,0.0,0.0,2.0,733.0489999999993,41.0,6.0,CCCCCCCCCCCCCCCCCCOP1OCC2(COP(OC2)OCCCCCCCCCCCCCCCCCC)CO1,4.0,"2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-bis(octadecyloxy)-"
CCCCCCCCCCCCCCCCCCO[Si](C)(C)C,3500.0,3.0,1.0,1.0,342.68399999999997,21.0,1.0,CCCCCCCCCCCCCCCCCCO[Si](C)(C)C,3.5440680443502757,"Silane, trimethyl(octadecyloxy)-"
CCCCCCCCCCCCCCCCCCP(=O)(OC)OC,10001.0,3.0,0.0,1.0,362.535,20.0,3.0,CCCCCCCCCCCCCCCCCCP(=O)(OC)OC,4.000043427276863,"Phosphonic acid, octadecyl-, dimethyl ester"
CCCCCCCCCCCCCCCCCCP(O)(=O)OC,3500.0,3.0,1.0,1.0,348.508,19.0,3.0,CCCCCCCCCCCCCCCCCCP(O)(=O)OC,3.5440680443502757,Methyl hydrogen octadecylphosphonate
CCCCCCCCCCCCCCCCCCS,1823.0,3.0,1.0,1.0,286.56899999999985,18.0,0.0,CCCCCCCCCCCCCCCCCCS,3.2607866686549762,1-Octadecanethiol
CCCCCCCCCCCCCCCCCCSSCCCCCCCCCCCCCCCCCC,10001.0,0.0,0.0,2.0,571.1220000000002,36.0,0.0,CCCCCCCCCCCCCCCCCCSSCCCCCCCCCCCCCCCCCC,4.000043427276863,"Disulfide, dioctadecyl"
CCCCCCCCCCCCCCCCCC[N+](C)(C)C,1076.5,3.0,1.0,1.0,312.60599999999994,21.0,0.0,CCCCCCCCCCCCCCCCCC[N+](C)(C)C,3.032014034159506,"N,N,N-Trimethyloctadecan-1-aminium"
CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1C=CC=CC=1,1022.0,2.0,0.0,1.0,388.704,27.0,0.0,CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1C=CC=CC=1,3.009450895798694,Dimethyloctadecylbenzylammonium
CCCCCCCCCCCCCCCCCC[Si](C)(C)Cl,2500.0,3.0,1.0,1.0,347.10299999999995,20.0,0.0,CCCCCCCCCCCCCCCCCC[Si](C)(C)Cl,3.3979400086720375,"Silane, chlorodimethyloctadecyl-"
CCCCCCCCCCCCCCCCCC[Si](OC)(OC)OC,5002.0,2.0,0.0,1.0,374.682,21.0,3.0,CCCCCCCCCCCCCCCCCC[Si](OC)(OC)OC,3.699143687394484,"Silane, trimethoxyoctadecyl-"
CCCCCCCCCCCCCCCCCOCC,1260.0,3.0,1.0,1.0,284.52799999999996,19.0,1.0,CCCCCCCCCCCCCCCCCOCC,3.100370545117563,"Alcohols, C16-18, ethoxylated"
CCCCCCCCCCCCCCCCCOS(O)(=O)=O,1886.0,3.0,1.0,1.0,336.53799999999995,17.0,4.0,CCCCCCCCCCCCCCCCCOS(O)(=O)=O,3.2755416884013098,"Sulfuric acid, mono-C16-18-alkyl esters, sodium salts"
CCCCCCCCCCCCCCCCC[N+](C)(C)C,3650.0,3.0,1.0,1.0,298.57899999999995,20.0,0.0,CCCCCCCCCCCCCCCCC[N+](C)(C)C,3.5622928644564746,"1-Heptadecanaminium, N,N,N-trimethyl-, methyl sulfate"
CCCCCCCCCCCCCCCCN(C)C,3500.0,3.0,1.0,1.0,269.51699999999994,18.0,0.0,CCCCCCCCCCCCCCCCN(C)C,3.5440680443502757,"Formic acid, compd. with N,N-dimethyl-1-hexadecanamine (1:1)"
CCCCCCCCCCCCCCCCNP1(=S)OCC2=CC(=CC=C2O1)[N+]([O-])=O,250.0,2.0,0.0,1.0,470.61600000000016,23.0,4.0,CCCCCCCCCCCCCCCCNP1(=S)OCC2=CC(=CC=C2O1)[N+]([O-])=O,2.3979400086720375,
CCCCCCCCCCCCCCCCO,4250.0,4.0,0.0,1.0,242.44699999999992,16.0,1.0,CCCCCCCCCCCCCCCCO,3.6283889300503116,1-Hexadecanol
CCCCCCCCCCCCCCCCOC(=O)C(O)(CC(=O)OCCCCCCCCCCCCCCCC)CC(=O)OCCCCCCCCCCCCCCCC,7500.0,0.0,0.0,2.0,865.4189999999991,54.0,7.0,CCCCCCCCCCCCCCCCOC(=O)C(O)(CC(=O)OCCCCCCCCCCCCCCCC)CC(=O)OCCCCCCCCCCCCCCCC,3.8750612633917,Trihexadecyl citrate
CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C,3500.0,1.0,0.0,1.0,474.7700000000002,31.0,3.0,CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C,3.5440680443502757,"Hexadecyl 3,5-di-tert-butyl-4-hydroxybenzoate"
CCCCCCCCCCCCCCCCOC(=O)C=C,3500.0,3.0,1.0,1.0,296.495,19.0,2.0,CCCCCCCCCCCCCCCCOC(=O)C=C,3.5440680443502757,Hexadecyl acrylate
CCCCCCCCCCCCCCCCOC(=O)CC1C=CC(=CC=1)N(CCCl)CCCl,100.0,0.0,0.0,1.0,500.59500000000014,28.0,2.0,CCCCCCCCCCCCCCCCOC(=O)CC1C=CC(=CC=1)N(CCCl)CCCl,2.0,"Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, hexadecyl ester"
CCCCCCCCCCCCCCCCOC(=O)Cl,7500.0,3.0,1.0,1.0,304.90199999999993,17.0,2.0,CCCCCCCCCCCCCCCCOC(=O)Cl,3.8750612633917,"Carbonochloridic acid, hexadecyl ester"
CCCCCCCCCCCCCCCCOC(=O)OOC(=O)OCCCCCCCCCCCCCCCC,6851.0,0.0,0.0,2.0,570.8960000000003,34.0,6.0,CCCCCCCCCCCCCCCCOC(=O)OOC(=O)OCCCCCCCCCCCCCCCC,3.8357539675193832,Dihexadecyl peroxodicarbonate
CCCCCCCCCCCCCCCCOC(C)=O,7500.0,3.0,1.0,1.0,284.4839999999999,18.0,2.0,CCCCCCCCCCCCCCCCOC(C)=O,3.8750612633917,Hexadecyl acetate
CCCCCCCCCCCCCCCCOP(O)(O)=O,4501.0,4.0,1.0,1.0,322.42599999999993,16.0,4.0,CCCCCCCCCCCCCCCCOP(O)(O)=O,3.653309012938479,"1-Hexadecanol, phosphate, compd. with 2,2'-iminobis[ethanol]"
CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+](C)(C)C,246.0,2.0,0.0,1.0,407.57600000000014,21.0,4.0,CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+](C)(C)C,2.3909351071033793,Miltefosine
CCCCCCCCCCCCCCCC[N+](C)(C)C,579.25,3.0,1.0,1.0,284.55199999999996,19.0,0.0,CCCCCCCCCCCCCCCC[N+](C)(C)C,2.7628660424620133,"1-Hexadecanaminium, N,N,N-trimethyl-, 4-methylbenzenesulfonate (1:1)"
CCCCCCCCCCCCCCCC[N+](C)(C)CC,500.0,3.0,1.0,1.0,298.579,20.0,0.0,CCCCCCCCCCCCCCCC[N+](C)(C)CC,2.6989700043360187,Dimethylethylhexadecylammonium
CCCCCCCCCCCCCCCC[N+](C)(C)CC([O-])=O,1620.0,4.0,1.0,0.0,327.55300000000005,20.0,2.0,CCCCCCCCCCCCCCCC[N+](C)(C)CC([O-])=O,3.2095150145426308,"1-Hexadecanaminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt"
CCCCCCCCCCCCCCCC[N+](C)(C)CCO,2639.0,4.0,1.0,1.0,314.57800000000003,20.0,1.0,CCCCCCCCCCCCCCCC[N+](C)(C)CCO,3.4214393902200495,"1-Hexadecanaminium, N-(2-hydroxyethyl)-N,N-dimethyl-, phosphate (1:1)"
CCCCCCCCCCCCCCCC[N+]1C=CC=CC=1,427.5,3.0,1.0,1.0,304.5419999999999,21.0,0.0,CCCCCCCCCCCCCCCC[N+]1C=CC=CC=1,2.6309361190641916,1-Hexadecylpyridinium
CCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl,1549.75,3.0,0.0,1.0,359.8849999999999,16.0,0.0,CCCCCCCCCCCCCCCC[Si](Cl)(Cl)Cl,3.190261645023611,"Silane, trichlorohexadecyl-"
CCCCCCCCCCCCCCCC[Si](OC)(OC)OC,3876.0,3.0,1.0,1.0,346.62800000000004,19.0,3.0,CCCCCCCCCCCCCCCC[Si](OC)(OC)OC,3.5883837683787276,"Silane, hexadecyltrimethoxy-"
CCCCCCCCCCCCCCCN,660.0,4.0,0.0,1.0,227.43599999999992,15.0,0.0,CCCCCCCCCCCCCCCN,2.8195439355418688,Pentadecylamine
CCCCCCCCCCCCCCCNCCCCCCCCCCCCCCC,3500.0,1.0,0.0,1.0,437.84100000000046,30.0,0.0,CCCCCCCCCCCCCCCNCCCCCCCCCCCCCCC,3.5440680443502757,"Amines, di-C12-18-alkyl"
CCCCCCCCCCCCCCCOS(O)(=O)=O,3500.0,4.0,1.0,0.0,308.484,15.0,4.0,CCCCCCCCCCCCCCCOS(O)(=O)=O,3.5440680443502757,"Sulfuric acid, mono-C12-18-alkyl esters, sodium salts"
CCCCCCCCCCCCCCC[N+](C)(C)[O-],2028.0,3.0,1.0,1.0,271.4889999999999,17.0,1.0,CCCCCCCCCCCCCCC[N+](C)(C)[O-],3.3070679506612985,"Amines, C12-18-alkyldimethyl, N-oxides"
CCCCCCCCCCCCCCN(C)C,2077.0,4.0,0.0,1.0,241.4629999999999,16.0,0.0,CCCCCCCCCCCCCCN(C)C,3.317436496535099,"N,N-Dimethyltetradecylamine"
CCCCCCCCCCCCCCO,7500.0,4.0,0.0,0.0,214.39299999999992,14.0,1.0,CCCCCCCCCCCCCCO,3.8750612633917,1-Tetradecanol
CCCCCCCCCCCCCCOC(=O)CCC(=O)NC1C=CC(=CC=1)C1NN2N=C(C(Cl)=C2N=1)C(C)(C)C,3500.0,0.0,0.0,2.0,586.2210000000001,32.0,3.0,CCCCCCCCCCCCCCOC(=O)CCC(=O)NC1C=CC(=CC=1)C1NN2N=C(C(Cl)=C2N=1)C(C)(C)C,3.5440680443502757,"Butanoic acid, 4-[[4-[7-chloro-6-(1,1-dimethylethyl)-3H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]amino]-4-oxo-, tetradecyl ester"
CCCCCCCCCCCCCCOC(=O)C[N+](C)(C)CCCNC(=O)CCCCCCCCCCCCCCCCC,7500.0,0.0,0.0,2.0,624.072,39.0,3.0,CCCCCCCCCCCCCCOC(=O)C[N+](C)(C)CCCNC(=O)CCCCCCCCCCCCCCCCC,3.8750612633917,"1-Propanaminium, N,N-dimethyl-3-[(1-oxooctadecyl)amino]-N-[2-oxo-2-(tetradecyloxy)ethyl]-, chloride (1:1)"
CCCCCCCCCCCCCCOC(=O)Cl,6251.0,3.0,1.0,1.0,276.84799999999996,15.0,2.0,CCCCCCCCCCCCCCOC(=O)Cl,3.7959494989028033,Tetradecyl chloroformate
CCCCCCCCCCCCCCOC(=O)OOC(=O)OCCCCCCCCCCCCCC,2751.0,0.0,0.0,2.0,514.7880000000006,30.0,6.0,CCCCCCCCCCCCCCOC(=O)OOC(=O)OCCCCCCCCCCCCCC,3.4394905903896835,"Peroxydicarbonic acid, C,C'-ditetradecyl ester"
CCCCCCCCCCCCCCOC1=CC=C(O1)C(O)=O,7500.0,3.0,1.0,1.0,324.461,19.0,4.0,CCCCCCCCCCCCCCOC1=CC=C(O1)C(O)=O,3.8750612633917,5-(Tetradecyloxy)-2-furancarboxylic acid
CCCCCCCCCCCCCC[N+](C)(C)C,3900.0,4.0,1.0,1.0,256.49799999999993,17.0,0.0,CCCCCCCCCCCCCC[N+](C)(C)C,3.591064607026499,"N,N,N-trimethyltetradecan-1-aminium"
CCCCCCCCCCCCCC[N+](C)(C)CC1C=CC=CC=1,324.0,3.0,1.0,1.0,332.59599999999995,23.0,0.0,CCCCCCCCCCCCCC[N+](C)(C)CC1C=CC=CC=1,2.510545010206612,Benzyldimethyltetradecylammonium chloride dihydrate
CCCCCCCCCCCCCC[N+](C)(C)[O-],2186.0,4.0,1.0,1.0,257.46199999999993,16.0,1.0,CCCCCCCCCCCCCC[N+](C)(C)[O-],3.339650157613684,"1-Tetradecanamine, N,N-dimethyl-, N-oxide"
CCCCCCCCCCCCCC[N+]1C=CC(C)=CC=1,250.0,3.0,1.0,1.0,290.515,20.0,0.0,CCCCCCCCCCCCCC[N+]1C=CC(C)=CC=1,2.3979400086720375,Miripirium
CCCCCCCCCCCCCN1CC(C)OC(C)C1,650.0,4.0,1.0,1.0,297.527,19.0,1.0,CCCCCCCCCCCCCN1CC(C)OC(C)C1,2.8129133566428557,Tridemorph
CCCCCCCCCCCCCO,4735.0,4.0,0.0,0.0,200.36599999999996,13.0,1.0,CCCCCCCCCCCCCO,3.675319983339292,1-Tridecanol
CCCCCCCCCCCCCOC(=O)C1C=C(C=CC=1C(=O)OCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCC,7500.0,0.0,0.0,2.0,757.1939999999997,48.0,6.0,CCCCCCCCCCCCCOC(=O)C1C=C(C=CC=1C(=O)OCCCCCCCCCCCCC)C(=O)OCCCCCCCCCCCCC,3.8750612633917,"Tri(tridecyl) benzene-1,2,4-tricarboxylate"
CCCCCCCCCCCCCOC(=O)C1C=CC=CC=1C(=O)OCCCCCCCCCCCCC,3500.0,0.0,0.0,2.0,530.8340000000004,34.0,4.0,CCCCCCCCCCCCCOC(=O)C1C=CC=CC=1C(=O)OCCCCCCCCCCCCC,3.5440680443502757,Ditridecyl phthalate
CCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCC,10001.0,0.0,0.0,2.0,510.8440000000006,32.0,4.0,CCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCC,4.000043427276863,"Hexanedioic acid, ditridecyl ester"
CCCCCCCCCCCCCOP(=O)OCCCCCCCCCCCCC,10001.0,1.0,0.0,1.0,446.6970000000005,26.0,3.0,CCCCCCCCCCCCCOP(=O)OCCCCCCCCCCCCC,4.000043427276863,"Phosphonic acid, ditridecyl ester"
CCCCCCCCCCCCCl,10001.0,4.0,0.0,1.0,204.78499999999997,12.0,0.0,CCCCCCCCCCCCCl,4.000043427276863,1-Chlorododecane
CCCCCCCCCCCCN,2073.0,4.0,0.0,0.0,185.35499999999996,12.0,0.0,CCCCCCCCCCCCN,3.3165993020938607,"Propanoic acid, 2-hydroxy-, compd. with 1-dodecanamine (1:1)"
CCCCCCCCCCCCN(C)C,1180.0,4.0,0.0,0.0,213.40899999999996,14.0,0.0,CCCCCCCCCCCCN(C)C,3.0718820073061255,"1-Dodecanamine, N,N-dimethyl-, acetate (1:1)"
CCCCCCCCCCCCN(CCC(O)=O)CCC(O)=O,10001.0,4.0,1.0,0.0,329.48100000000005,18.0,4.0,CCCCCCCCCCCCN(CCC(O)=O)CCC(O)=O,4.000043427276863,N-lauryl iminodipropionate
CCCCCCCCCCCCN(CCCN)CCCN,367.0,4.0,1.0,0.0,299.547,18.0,0.0,CCCCCCCCCCCCN(CCCN)CCCN,2.5646660642520893,"1,3-Propanediamine, N-(3-aminopropyl)-N-dodecyl-"
CCCCCCCCCCCCN1C=NC=C1,641.0,4.0,0.0,0.0,236.403,15.0,0.0,CCCCCCCCCCCCN1C=NC=C1,2.8068580295188172,"1H-Imidazole, 1-dodecyl-"
CCCCCCCCCCCCN1CCCC1=O,2050.0,4.0,1.0,0.0,253.42999999999992,16.0,1.0,CCCCCCCCCCCCN1CCCC1=O,3.311753861055754,1-Dodecyl-2-pyrrolidinone
CCCCCCCCCCCCN1CCCCCC1=O,7500.0,4.0,1.0,1.0,281.4839999999999,18.0,1.0,CCCCCCCCCCCCN1CCCCCC1=O,3.8750612633917,Laurocapram
CCCCCCCCCCCCNC(N)=N,660.0,4.0,1.0,0.0,227.396,13.0,0.0,CCCCCCCCCCCCNC(N)=N,2.8195439355418688,Dodecylguanidine
CCCCCCCCCCCCNCCC(O)=O,3500.0,4.0,1.0,0.0,257.41799999999995,15.0,2.0,CCCCCCCCCCCCNCCC(O)=O,3.5440680443502757,".beta.-Alanine, N-dodecyl-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1)"
CCCCCCCCCCCCO,10001.0,4.0,0.0,0.0,186.33899999999997,12.0,1.0,CCCCCCCCCCCCO,4.000043427276863,1-Dodecanol
CCCCCCCCCCCCOC(=O)C1C=C(O)C(O)=C(O)C=1,7500.0,4.0,1.0,0.0,338.444,19.0,5.0,CCCCCCCCCCCCOC(=O)C1C=C(O)C(O)=C(O)C=1,3.8750612633917,Dodecyl gallate
CCCCCCCCCCCCOC(=O)C1C=CC=CC=1,10001.0,3.0,1.0,1.0,290.44699999999995,19.0,2.0,CCCCCCCCCCCCOC(=O)C1C=CC=CC=1,4.000043427276863,"Benzoic acid, dodecyl ester"
CCCCCCCCCCCCOC(=O)C=CC(=O)OCCCCCCCCCCCC,3500.0,1.0,0.0,1.0,452.7200000000005,28.0,4.0,CCCCCCCCCCCCOC(=O)C=CC(=O)OCCCCCCCCCCCC,3.5440680443502757,"2-Butenedioic acid (2Z)-, didodecyl ester"
CCCCCCCCCCCCOC(=O)CC1C=CC(=CC=1)N(CCCl)CCCl,72.0,3.0,0.0,1.0,444.4870000000001,24.0,2.0,CCCCCCCCCCCCOC(=O)CC1C=CC(=CC=1)N(CCCl)CCCl,1.8573324964312685,"Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, dodecyl ester"
CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC,5000.0,0.0,0.0,2.0,514.8570000000005,30.0,4.0,CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC,3.6989700043360187,"Propanoic acid, 3,3'-thiobis-, didodecyl ester"
CCCCCCCCCCCCOC(=O)CS(O)(=O)=O,700.0,4.0,2.0,0.0,308.44,14.0,5.0,CCCCCCCCCCCCOC(=O)CS(O)(=O)=O,2.845098040014257,"Acetic acid, sulfo-, 1-dodecyl ester, sodium salt"
CCCCCCCCCCCCOC=C,3500.0,4.0,0.0,1.0,212.37699999999995,14.0,1.0,CCCCCCCCCCCCOC=C,3.5440680443502757,"Dodecane, 1-(ethenyloxy)-"
CCCCCCCCCCCCOCCOCCOCCOS(O)(=O)=O,1820.0,4.0,0.0,0.0,398.5620000000001,18.0,7.0,CCCCCCCCCCCCOCCOCCOCCOS(O)(=O)=O,3.2600713879850747,"Ethanol, 2,2'-iminobis-, compd. with 2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethyl hydrogen sulfate (1:1)"
CCCCCCCCCCCCOCCOS(O)(=O)=O,1312.5,4.0,1.0,0.0,310.45599999999996,14.0,5.0,CCCCCCCCCCCCOCCOS(O)(=O)=O,3.1180993120779945,Ammonium (lauryloxypolyethoxy)ethyl sulfate
CCCCCCCCCCCCOP(=O)OCCCCCCCCCCCC,10000.0,2.0,0.0,1.0,418.6430000000004,24.0,3.0,CCCCCCCCCCCCOP(=O)OCCCCCCCCCCCC,4.0,Didodecyl phosphonate
CCCCCCCCCCCCOS(O)(=O)=O,1289.0,4.0,1.0,0.0,266.40299999999996,12.0,4.0,CCCCCCCCCCCCOS(O)(=O)=O,3.110252917353403,"Sulfuric acid, monododecyl ester, potassium salt (1:1)"
CCCCCCCCCCCCP(O)(O)=O,3500.0,4.0,1.0,0.0,250.31899999999996,12.0,3.0,CCCCCCCCCCCCP(O)(O)=O,3.5440680443502757,"Phosphonic acid, dodecyl-"
CCCCCCCCCCCCS,7500.0,4.0,0.0,0.0,202.407,12.0,0.0,CCCCCCCCCCCCS,3.8750612633917,1-Dodecanethiol
CCCCCCCCCCCCSC#N,1250.0,4.0,0.0,1.0,227.41699999999997,13.0,0.0,CCCCCCCCCCCCSC#N,3.0969100130080562,Lauryl thiocyanate
CCCCCCCCCCCCSCCC(=O)OCC(COC(=O)CCSCCCCCCCCCCCC)(COC(=O)CCSCCCCCCCCCCCC)COC(=O)CCSCCCCCCCCCCCC,3500.0,0.0,0.0,4.0,1161.9669999999992,65.0,8.0,CCCCCCCCCCCCSCCC(=O)OCC(COC(=O)CCSCCCCCCCCCCCC)(COC(=O)CCSCCCCCCCCCCCC)COC(=O)CCSCCCCCCCCCCCC,3.5440680443502757,"Propanoic acid, 3-(dodecylthio)-, 2,2-bis[[3-(dodecylthio)-1-oxopropoxy]methyl]-1,3-propanediyl ester"
CCCCCCCCCCCC[N+](C)(C)C,700.0,4.0,0.0,0.0,228.44399999999996,15.0,0.0,CCCCCCCCCCCC[N+](C)(C)C,2.845098040014257,"N,N,N-trimethyldodecan-1-aminium"
CCCCCCCCCCCC[N+](C)(C)CC(O)CCl,2708.0,4.0,1.0,0.0,306.942,17.0,1.0,CCCCCCCCCCCC[N+](C)(C)CC(O)CCl,3.4326486600131068,"1-Dodecanaminium, N-(3-chloro-2-hydroxypropyl)-N,N-dimethyl-, chloride (1:1)"
CCCCCCCCCCCC[N+](C)(C)CC(O)CS([O-])(=O)=O,3500.0,4.0,1.0,0.0,351.55300000000005,17.0,4.0,CCCCCCCCCCCC[N+](C)(C)CC(O)CS([O-])(=O)=O,3.5440680443502757,Lauryl hydroxysultaine
CCCCCCCCCCCC[N+](C)(C)CC([O-])=O,71.0,4.0,2.0,0.0,271.44499999999994,16.0,2.0,CCCCCCCCCCCC[N+](C)(C)CC([O-])=O,1.8512583487190752,"1-Dodecanaminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt"
CCCCCCCCCCCC[N+](C)(C)CC1=CC(Cl)=C(Cl)C=C1,730.0,3.0,0.0,1.0,373.432,21.0,0.0,CCCCCCCCCCCC[N+](C)(C)CC1=CC(Cl)=C(Cl)C=C1,2.863322860120456,Lauryldimethyldichlorobenzylammonium chloride
CCCCCCCCCCCC[N+](C)(C)CC1C=CC=CC=1,315.0,3.0,1.0,1.0,304.542,21.0,0.0,CCCCCCCCCCCC[N+](C)(C)CC1C=CC=CC=1,2.4983105537896004,"N-Benzyl-N,N-dimethyldodecan-1-aminium"
CCCCCCCCCCCC[N+](C)(C)[O-],2603.0,4.0,0.0,0.0,229.40799999999996,14.0,1.0,CCCCCCCCCCCC[N+](C)(C)[O-],3.4154741681092355,"N,N-Dimethyldodecylamine-N-oxide"
CCCCCCCCCCCC[N+](CC1C=CC=CC=1)(CCO)CCO,750.0,4.0,0.0,0.0,364.5940000000001,23.0,2.0,CCCCCCCCCCCC[N+](CC1C=CC=CC=1)(CCO)CCO,2.8750612633917,Dodecyl bis(2-hydroxyethyl) benzyl ammonium chloride
CCCCCCCCCCCC[N+]1=CC2=CC=CC=C2C=C1,230.0,3.0,1.0,1.0,298.494,21.0,0.0,CCCCCCCCCCCC[N+]1=CC2=CC=CC=C2C=C1,2.361727836017593,2-Dodecylisoquinolinium bromide
CCCCCCCCCCCC[N+]1C=CC=CC=1,194.0,4.0,0.0,0.0,248.434,17.0,0.0,CCCCCCCCCCCC[N+]1C=CC=CC=1,2.287801729930226,"Pyridinium, 1-dodecyl-, 4-methylbenzenesulfonate (1:1)"
CCCCCCCCCCCO,3000.0,4.0,0.0,0.0,172.31199999999998,11.0,1.0,CCCCCCCCCCCO,3.4771212547196626,1-Undecanol
CCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCC,10001.0,1.0,0.0,1.0,474.7260000000005,30.0,4.0,CCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCCC,4.000043427276863,Diundecyl phthalate
CCCCCCCCCCCOC(=O)CC1C=CC(=CC=1)N(CCCl)CCCl,50.0,3.0,0.0,1.0,430.46000000000015,23.0,2.0,CCCCCCCCCCCOC(=O)CC1C=CC(=CC=1)N(CCCl)CCCl,1.6989700043360187,"Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, undecyl ester"
CCCCCCCCCCF,5.0,4.0,0.0,0.0,160.27599999999998,10.0,0.0,CCCCCCCCCCF,0.6989700043360189,"Decane, 1-fluoro-"
CCCCCCCCCCN(C)C,2751.0,4.0,0.0,0.0,185.355,12.0,0.0,CCCCCCCCCCN(C)C,3.4394905903896835,Decyldimethylamine
CCCCCCCCCCNCCCCCCCCCC,338.0,3.0,1.0,1.0,297.571,20.0,0.0,CCCCCCCCCCNCCCCCCCCCC,2.5289167002776547,"1-Decanamine, N-decyl-"
CCCCCCCCCCO,8798.0,3.0,1.0,0.0,158.285,10.0,1.0,CCCCCCCCCCO,3.944383957640844,1-Decanol
CCCCCCCCCCOC,7500.0,4.0,0.0,0.0,172.31199999999998,11.0,1.0,CCCCCCCCCCOC,3.8750612633917,"Decane, 1-methoxy-"
CCCCCCCCCCOC(=O)C1C=CC=CC=1C(=O)OCCCCCCCC,10001.0,2.0,0.0,1.0,418.6180000000004,26.0,4.0,CCCCCCCCCCOC(=O)C1C=CC=CC=1C(=O)OCCCCCCCC,4.000043427276863,Octyl decyl phthalate
CCCCCCCCCCOC(=O)C=C,6460.0,4.0,0.0,0.0,212.3329999999999,13.0,2.0,CCCCCCCCCCOC(=O)C=C,3.8102325179950842,Decyl prop-2-enoate
CCCCCCCCCCOC(=O)CC1C=CC(=CC=1)N(CCCl)CCCl,150.0,3.0,0.0,1.0,416.4330000000001,22.0,2.0,CCCCCCCCCCOC(=O)CC1C=CC(=CC=1)N(CCCl)CCCl,2.1760912590556813,"Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, decyl ester"
CCCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCC,10001.0,1.0,0.0,1.0,422.73800000000034,28.0,2.0,CCCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCC,4.000043427276863,"9-Octadecenoic acid (9Z)-, decyl ester"
CCCCCCCCCCOC(C)=O,7500.0,4.0,0.0,0.0,200.32199999999995,12.0,2.0,CCCCCCCCCCOC(C)=O,3.8750612633917,Decyl acetate
CCCCCCCCCCOC1=CC=C(C=C1C(C)CC)C(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1,3500.0,0.0,0.0,2.0,532.8120000000001,39.0,1.0,CCCCCCCCCCOC1=CC=C(C=C1C(C)CC)C(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1,3.5440680443502757,"Benzene, 1-(decyloxy)-2-(1-methylpropyl)-4-(triphenylmethyl)-"
CCCCCCCCCCOC=C,3940.0,4.0,0.0,0.0,184.323,12.0,1.0,CCCCCCCCCCOC=C,3.595496221825574,"Decane, 1-(ethenyloxy)-"
CCCCCCCCCCOP(O)(O)=O,3500.0,4.0,1.0,0.0,238.264,10.0,4.0,CCCCCCCCCCOP(O)(O)=O,3.5440680443502757,"Phosphoric acid, monodecyl ester, monoammonium salt"
CCCCCCCCCCOS(O)(=O)=O,1950.0,4.0,1.0,0.0,238.349,10.0,4.0,CCCCCCCCCCOS(O)(=O)=O,3.290034611362518,"Sulfuric acid, monodecyl ester, compd. with 2,2'-iminobis[ethanol] (1:1)"
CCCCCCCCCCSCCN1CCCC1=O,7500.0,4.0,1.0,0.0,285.497,16.0,1.0,CCCCCCCCCCSCCN1CCCC1=O,3.8750612633917,1-(2-(Decylthio)ethyl)azacyclopentane-2-one
CCCCCCCCCC[N+](C)(C)[O-],2432.0,4.0,0.0,0.0,201.354,12.0,1.0,CCCCCCCCCC[N+](C)(C)[O-],3.385963570600697,"N,N-Dimethyldecylamine oxide"
CCCCCCCCCN(CCCCCCCCC)CCCCCCCCC,5600.0,1.0,0.0,1.0,395.7600000000003,27.0,0.0,CCCCCCCCCN(CCCCCCCCC)CCCCCCCCC,3.7481880270062002,"Amines, tri-C8-10-alkyl"
CCCCCCCCCO,3380.0,3.0,1.0,0.0,144.258,9.0,1.0,CCCCCCCCCO,3.5289167002776547,1-Nonanol
CCCCCCCCCOC(=O)C1C=CC(=CC=1C(=O)OCCCCCCCCC)C(=O)OCCCCCCCCC,3750.0,0.0,0.0,2.0,588.8700000000003,36.0,6.0,CCCCCCCCCOC(=O)C1C=CC(=CC=1C(=O)OCCCCCCCCC)C(=O)OCCCCCCCCC,3.574031267727719,"Trinonyl benzene-1,2,4-tricarboxylate"
CCCCCCCCCOC(=O)C1C=CC=CC=1C(=O)OCCCCCCCCC,10001.0,2.0,0.0,1.0,418.6180000000005,26.0,4.0,CCCCCCCCCOC(=O)C1C=CC=CC=1C(=O)OCCCCCCCCC,4.000043427276863,Dinonyl phthalate
CCCCCCCCCOC(=O)C1C=NC=C(C1C1C=CC=CC=1[N+]([O-])=O)/C(/O)=N/C1CCCC1,10.0,0.0,0.0,1.0,483.6090000000003,27.0,5.0,CCCCCCCCCOC(=O)C1C=NC=C(C1C1C=CC=CC=1[N+]([O-])=O)/C(/O)=N/C1CCCC1,1.0,
CCCCCCCCCOC(C)=O,7500.0,4.0,1.0,0.0,186.295,11.0,2.0,CCCCCCCCCOC(C)=O,3.8750612633917,Nonyl acetate
CCCCCCCCC[N+]1(C)C2CC(CC1C1OC12)OC(=O)C(CO)C1C=CC=CC=1,1300.0,3.0,0.0,0.0,430.60900000000015,26.0,4.0,CCCCCCCCC[N+]1(C)C2CC(CC1C1OC12)OC(=O)C(CO)C1C=CC=CC=1,3.113943352306837,
CCCCCCCCCl,10001.0,3.0,1.0,0.0,148.67700000000002,8.0,0.0,CCCCCCCCCl,4.000043427276863,1-Chlorooctane
CCCCCCCCN,315.0,3.0,1.0,0.0,129.247,8.0,0.0,CCCCCCCCN,2.4983105537896004,1-Octanamine
CCCCCCCCN(C)C,289.0,3.0,1.0,0.0,157.30100000000002,10.0,0.0,CCCCCCCCN(C)C,2.4608978427565478,"1-Octanamine, N,N-dimethyl-, phosphate (1:1)"
CCCCCCCCN(CCC(O)=O)CCC(O)=O,7500.0,4.0,2.0,0.0,273.373,14.0,4.0,CCCCCCCCN(CCC(O)=O)CCC(O)=O,3.8750612633917,N-(2-Carboxyethyl)-N-octyl-beta-alanine
CCCCCCCCN(CCO)CCO,1157.0,4.0,1.0,0.0,217.353,12.0,2.0,CCCCCCCCN(CCO)CCO,3.0633333589517497,"Ethanol, 2,2'-(octylimino)bis-"
CCCCCCCCN1CCCC1=O,2050.0,4.0,1.0,0.0,197.32199999999995,12.0,1.0,CCCCCCCCN1CCCC1=O,3.311753861055754,N-Octyl-2-pyrrolidone
CCCCCCCCN1SC=CC1=O,337.0,4.0,1.0,0.0,213.346,11.0,1.0,CCCCCCCCN1SC=CC1=O,2.5276299008713385,"3(2H)-Isothiazolone, 2-octyl-, hydrochloride"
CCCCCCCCO,8060.0,3.0,1.0,0.0,130.23100000000002,8.0,1.0,CCCCCCCCO,3.906335041805091,1-Octanol
CCCCCCCCOC(=O)C(C)C,7500.0,4.0,0.0,0.0,200.322,12.0,2.0,CCCCCCCCOC(=O)C(C)C,3.8750612633917,"Propanoic acid, 2-methyl-, octyl ester"
CCCCCCCCOC(=O)C(CC(=O)OCCCCCCCC)S(O)(=O)=O,1900.0,4.0,0.0,0.0,422.5840000000003,20.0,7.0,CCCCCCCCOC(=O)C(CC(=O)OCCCCCCCC)S(O)(=O)=O,3.278753600952829,Dioctyl sodium sulfosuccinate
CCCCCCCCOC(=O)C1=CC=C(C=C1C(=O)OCCCCCCCC)C(=O)OCCCCCCCC,2751.0,0.0,0.0,2.0,546.7890000000006,33.0,6.0,CCCCCCCCOC(=O)C1=CC=C(C=C1C(=O)OCCCCCCCC)C(=O)OCCCCCCCC,3.4394905903896835,Trioctyl trimellitate
CCCCCCCCOC(=O)C1C=C(O)C(O)=C(O)C=1,2242.0,4.0,2.0,0.0,282.336,15.0,5.0,CCCCCCCCOC(=O)C1C=C(O)C(O)=C(O)C=1,3.3506356082589543,Octyl gallate
CCCCCCCCOC(=O)C1C=CC(=CC=1)C(=O)OCCCCCCCC,7500.0,3.0,0.0,1.0,390.5640000000003,24.0,4.0,CCCCCCCCOC(=O)C1C=CC(=CC=1)C(=O)OCCCCCCCC,3.8750612633917,Dioctyl terephthalate
CCCCCCCCOC(=O)C1C=CC=CC=1C(=O)OCCCCCCCC,10001.0,3.0,0.0,1.0,390.5640000000003,24.0,4.0,CCCCCCCCOC(=O)C1C=CC=CC=1C(=O)OCCCCCCCC,4.000043427276863,Dioctyl phthalate
CCCCCCCCOC(=O)C=CC(=O)OCCCCCCCC,10001.0,4.0,1.0,1.0,340.5040000000002,20.0,4.0,CCCCCCCCOC(=O)C=CC(=O)OCCCCCCCC,4.000043427276863,"2-Butenedioic acid (2Z)-, dioctyl ester"
CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC,9110.0,3.0,0.0,1.0,370.5740000000003,22.0,4.0,CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC,3.9595183769729982,Dioctyl hexanedioate
CCCCCCCCOC(C)=O,3000.0,4.0,1.0,0.0,172.268,10.0,2.0,CCCCCCCCOC(C)=O,3.4771212547196626,Octyl acetate
CCCCCCCCOC(C[N+]1C=CC=CC=1)C1C=CC(=CC=1)C1CCCC1,250.0,3.0,0.0,1.0,380.59600000000023,26.0,1.0,CCCCCCCCOC(C[N+]1C=CC=CC=1)C1C=CC(=CC=1)C1CCCC1,2.3979400086720375,
CCCCCCCCOC1=CC(O)=C(C=C1)C(=O)C1C=CC=CC=1,10000.0,4.0,1.0,1.0,326.43600000000004,21.0,3.0,CCCCCCCCOC1=CC(O)=C(C=C1)C(=O)C1C=CC=CC=1,4.0,Octabenzone
CCCCCCCCOC1=CC=CC=C1C(=O)NC1C=CC(=CC=1)C(=O)OCC[N+](C)(CC)CC,1650.0,0.0,0.0,1.0,483.6730000000004,29.0,4.0,CCCCCCCCOC1=CC=CC=C1C(=O)NC1C=CC(=CC=1)C(=O)OCC[N+](C)(CC)CC,3.2174839442139063,Otilonium
CCCCCCCCOC1C=CC(=CC=1)C1C=CC(=CC=1)C#N,10000.0,3.0,1.0,1.0,307.437,21.0,1.0,CCCCCCCCOC1C=CC(=CC=1)C1C=CC(=CC=1)C#N,4.0,"[1,1'-Biphenyl]-4-carbonitrile, 4'-(octyloxy)-"
CCCCCCCCOC=O,7500.0,3.0,1.0,0.0,158.241,9.0,2.0,CCCCCCCCOC=O,3.8750612633917,"Formic acid, octyl ester"
CCCCCCCCOCCCCCCCC,2751.0,3.0,0.0,1.0,242.44699999999992,16.0,1.0,CCCCCCCCOCCCCCCCC,3.4394905903896835,CERAPP_28397
CCCCCCCCOS(O)(=O)=O,3200.0,4.0,1.0,0.0,210.295,8.0,4.0,CCCCCCCCOS(O)(=O)=O,3.505149978319906,"Sulfuric acid, monooctyl ester, compd. with 2,2'-iminobis[ethanol] (1:1)"
CCCCCCCCP(O)(O)=O,2105.0,4.0,1.0,0.0,194.211,8.0,3.0,CCCCCCCCP(O)(O)=O,3.323252100171687,"Phosphonic acid, P-octyl-, sodium salt (1:1)"
CCCCCCCCS,2164.0,3.0,1.0,0.0,146.299,8.0,0.0,CCCCCCCCS,3.3352572564345317,1-Octanethiol
CCCCCCCCS(=O)C(C)CC1C=CC2OCOC=2C=1,3500.0,4.0,1.0,0.0,324.4860000000001,18.0,3.0,CCCCCCCCS(=O)C(C)CC1C=CC2OCOC=2C=1,3.5440680443502757,Piperonyl sulfoxide
CCCCCCCCS(=O)CCCCl,5660.0,4.0,0.0,0.0,238.82399999999996,11.0,1.0,CCCCCCCCS(=O)CCCCl,3.7528164311882715,3-Chloropropyl octyl sulfoxide
CCCCCCCCSC(=O)OC1=CC(Cl)=NN=C1C1C=CC=CC=1,2357.0,3.0,0.0,1.0,378.92500000000007,19.0,2.0,CCCCCCCCSC(=O)OC1=CC(Cl)=NN=C1C1C=CC=CC=1,3.3723595825243238,Pyridate
CCCCCCCCSCCO,8530.0,4.0,1.0,0.0,190.352,10.0,1.0,CCCCCCCCSCCO,3.930949031167523,2-Hydroxyethyl octyl sulfide
CCCCCCCC[N+](C)(C)[O-],6251.0,4.0,1.0,0.0,173.3,10.0,1.0,CCCCCCCC[N+](C)(C)[O-],3.7959494989028033,Octyldimethylamine oxide
CCCCCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C,3500.0,3.0,1.0,1.0,334.7250000000001,15.0,2.0,CCCCCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C,3.5440680443502757,"1,1,1,3,5,5,5-Heptamethyl-3-octyltrisiloxane"
CCCCCCCC[Si](Cl)(Cl)Cl,112.0,4.0,0.0,1.0,247.669,8.0,0.0,CCCCCCCC[Si](Cl)(Cl)Cl,2.0492180226701815,Trichloro(octyl)silane
CCCCCCCC[Si](OC)(OC)OC,4812.0,4.0,1.0,0.0,234.412,11.0,3.0,CCCCCCCC[Si](OC)(OC)OC,3.6823256186678073,CERAPP_30595
CCCCCCCC[Si](OCC)(OCC)OCC,10001.0,4.0,1.0,0.0,276.493,14.0,3.0,CCCCCCCC[Si](OCC)(OCC)OCC,4.000043427276863,Triethoxyoctylsilane
CCCCCCCN,74.0,2.0,2.0,0.0,115.22,7.0,0.0,CCCCCCCN,1.8692317197309762,Heptylamine
CCCCCCCN(CC(O)C1=CC2C=CC=CC=2C2=CC(Br)=CC=C12)CCCCCCC,10000.0,0.0,0.0,2.0,512.5760000000001,30.0,1.0,CCCCCCCN(CC(O)C1=CC2C=CC=CC=2C2=CC(Br)=CC=C12)CCCCCCC,4.0,
CCCCCCCN=O,1045.0,2.0,2.0,0.0,129.203,7.0,1.0,CCCCCCCN=O,3.019116290447073,"Heptanal, oxime"
CCCCCCCO,4938.0,2.0,2.0,0.0,116.204,7.0,1.0,CCCCCCCO,3.6935510855959133,1-Heptanol
CCCCCCCOC(=O)C=C,4500.0,4.0,1.0,0.0,170.25199999999998,10.0,2.0,CCCCCCCOC(=O)C=C,3.6532125137753435,Heptyl acrylate
CCCCCCCOC(C)=O,7500.0,3.0,1.0,0.0,158.241,9.0,2.0,CCCCCCCOC(C)=O,3.8750612633917,Heptyl acetate
CCCCCCCOC1C=CC(=CC=1)C1C=CC(=CC=1)C#N,10000.0,4.0,1.0,1.0,293.41,20.0,1.0,CCCCCCCOC1C=CC(=CC=1)C1C=CC(=CC=1)C#N,4.0,"[1,1'-Biphenyl]-4-carbonitrile, 4'-(heptyloxy)-"
CCCCCCCOCC(C)CC=O,2751.0,4.0,1.0,0.0,200.32199999999995,12.0,2.0,CCCCCCCOCC(C)CC=O,3.4394905903896835,"Butanal, 4-(heptyloxy)-3-methyl-"
CCCCCCCOCCCCN1CCCCCC1=O,7500.0,4.0,1.0,0.0,283.4559999999999,17.0,2.0,CCCCCCCOCCCCN1CCCCCC1=O,3.8750612633917,"2H-Azepin-2-one, hexahydro-1-(4-(heptyloxy)butyl)-"
CCCCCCCOCCO,2280.0,4.0,1.0,0.0,160.25699999999998,9.0,2.0,CCCCCCCOCCO,3.357934847000454,"Ethanol, 2-(heptyloxy)-"
CCCCCCCOCCOCCO,2940.0,4.0,1.0,0.0,204.30999999999997,11.0,3.0,CCCCCCCOCCOCCO,3.4683473304121573,"Ethanol, 2-(2-(heptyloxy)ethoxy)-"
CCCCCCCSC,83.5,3.0,1.0,0.0,146.299,8.0,0.0,CCCCCCCSC,1.921686475483602,"Heptanethiol, methyl-"
CCCCCCCSCCCCN1CCCCCC1=O,7500.0,4.0,1.0,0.0,299.524,17.0,1.0,CCCCCCCSCCCCN1CCCCCC1=O,3.8750612633917,"2H-Azepin-2-one, hexahydro-1-(4-(heptylthio)butyl)-"
CCCCCCC[N+](CCCCC1C=CC(Cl)=CC=1)(CC)CC,456.0,3.0,1.0,1.0,338.98699999999997,21.0,0.0,CCCCCCC[N+](CCCCC1C=CC(Cl)=CC=1)(CC)CC,2.658964842664435,Clofilium
CCCCCCCl,7000.0,2.0,2.0,0.0,120.623,6.0,0.0,CCCCCCCl,3.845098040014257,1-Chlorohexane
CCCCCCN,600.0,2.0,2.0,0.0,101.193,6.0,0.0,CCCCCCN,2.7781512503836434,Hexylamine
CCCCCCN(CCCCCC)CCCCCC,1112.0,3.0,1.0,1.0,269.51699999999994,18.0,0.0,CCCCCCN(CCCCCC)CCCCCC,3.0461047872460387,"1-Hexanamine, N,N-dihexyl-"
CCCCCCNC(=O)N1C=C(F)C(=O)NC1=O,268.0,4.0,3.0,0.0,257.265,11.0,3.0,CCCCCCNC(=O)N1C=C(F)C(=O)NC1=O,2.428134794028789,Carmofur
CCCCCCNCCCCCC,380.0,4.0,0.0,0.0,185.35499999999996,12.0,0.0,CCCCCCNCCCCCC,2.57978359661681,Dihexylamine
CCCCCCO,4420.0,2.0,2.0,0.0,102.177,6.0,1.0,CCCCCCO,3.645422269349092,1-Hexanol
CCCCCCOC,720.0,2.0,2.0,0.0,116.204,7.0,1.0,CCCCCCOC,2.8573324964312685,"Hexane, 1-methoxy-"
CCCCCCOC(=O)C(C)(C)C,7500.0,4.0,2.0,0.0,186.295,11.0,2.0,CCCCCCOC(=O)C(C)(C)C,3.8750612633917,Hexyl pivalate
CCCCCCOC(=O)C(C)C,7500.0,4.0,1.0,0.0,172.268,10.0,2.0,CCCCCCOC(=O)C(C)C,3.8750612633917,Hexyl isobutyrate
CCCCCCOC(=O)C(C)CC,7500.0,4.0,1.0,0.0,186.295,11.0,2.0,CCCCCCOC(=O)C(C)CC,3.8750612633917,Hexyl 2-methylbutanoate
CCCCCCOC(=O)C1=CC=C(C=C1C(=O)OCCCCCC)C(=O)OCCCCCC,6250.0,2.0,0.0,1.0,462.62700000000046,27.0,6.0,CCCCCCOC(=O)C1=CC=C(C=C1C(=O)OCCCCCC)C(=O)OCCCCCC,3.7958800173440754,"Trihexyl benzene-1,2,4-tricarboxylate"
CCCCCCOC(=O)C1=CC=CC=C1C(=O)C1C=CC(=CC=1O)N(CC)CC,3500.0,4.0,0.0,1.0,397.5150000000002,24.0,4.0,CCCCCCOC(=O)C1=CC=CC=C1C(=O)C1C=CC(=CC=1O)N(CC)CC,3.5440680443502757,Diethylamino hydroxybenzoyl hexyl benzoate
CCCCCCOC(=O)C1C=CC=CC=1,10001.0,4.0,2.0,0.0,206.28500000000005,13.0,2.0,CCCCCCOC(=O)C1C=CC=CC=1,4.000043427276863,Hexyl benzoate
CCCCCCOC(=O)C1C=CC=CC=1C(=O)OCCCCCC,10001.0,4.0,1.0,1.0,334.45600000000024,20.0,4.0,CCCCCCOC(=O)C1C=CC=CC=1C(=O)OCCCCCC,4.000043427276863,Dihexyl phthalate
CCCCCCOC(=O)CC,7500.0,3.0,1.0,0.0,158.241,9.0,2.0,CCCCCCOC(=O)CC,3.8750612633917,Hexyl propanoate
CCCCCCOC(=O)CC#N,6440.0,4.0,2.0,0.0,169.224,9.0,2.0,CCCCCCOC(=O)CC#N,3.808885867359812,"Acetic acid, cyano-, hexyl ester"
CCCCCCOC(=O)CC(C(=O)OCCCCCC)S(O)(=O)=O,1750.0,4.0,1.0,0.0,366.47600000000006,16.0,7.0,CCCCCCOC(=O)CC(C(=O)OCCCCCC)S(O)(=O)=O,3.2430380486862944,"Sodium 1,4-dihexyl sulfosuccinate"
CCCCCCOC(=O)CC(C)C,7500.0,4.0,1.0,0.0,186.295,11.0,2.0,CCCCCCOC(=O)CC(C)C,3.8750612633917,"Butanoic acid, 3-methyl-, hexyl ester"
CCCCCCOC(=O)CCCCC(=O)OCCCCCC,10001.0,4.0,1.0,0.0,314.46600000000007,18.0,4.0,CCCCCCOC(=O)CCCCC(=O)OCCCCCC,4.000043427276863,Dihexyl hexanedioate
CCCCCCOC(C)=O,10001.0,3.0,2.0,0.0,144.21399999999997,8.0,2.0,CCCCCCOC(C)=O,4.000043427276863,Hexyl acetate
CCCCCCOC1=CC(O)=C(C=C1)C1N=C(N=C(N=1)C1C=CC=CC=1)C1C=CC=CC=1,2751.0,3.0,0.0,1.0,425.5320000000001,27.0,2.0,CCCCCCOC1=CC(O)=C(C=C1)C1N=C(N=C(N=1)C1C=CC=CC=1)C1C=CC=CC=1,3.4394905903896835,"2-(4,6-Diphenyl-s-triazin-2-yl)-5-hexyloxyphenol"
CCCCCCOC1=CC=CC=C1C(N)=O,7500.0,4.0,1.0,0.0,221.3,13.0,2.0,CCCCCCOC1=CC=CC=C1C(N)=O,3.8750612633917,Exalamide
CCCCCCOC1C=CC(=CC=1)C1C=CC(=CC=1)C#N,10000.0,4.0,1.0,1.0,279.383,19.0,1.0,CCCCCCOC1C=CC(=CC=1)C1C=CC(=CC=1)C#N,4.0,"[1,1'-Biphenyl]-4-carbonitrile, 4'-(hexyloxy)-"
CCCCCCOC1C=CC=CC=1C(O)=O,7500.0,4.0,1.0,0.0,222.284,13.0,3.0,CCCCCCOC1C=CC=CC=1C(O)=O,3.8750612633917,Hexyl salicylate
CCCCCCOC1CCC(C)(C)O1,3500.0,4.0,1.0,0.0,200.32199999999995,12.0,2.0,CCCCCCOC1CCC(C)(C)O1,3.5440680443502757,"Furan, 5-(hexyloxy)tetrahydro-2,2-dimethyl-"
CCCCCCOC=O,7500.0,2.0,2.0,0.0,130.18699999999998,7.0,2.0,CCCCCCOC=O,3.8750612633917,"Formic acid, hexyl ester"
CCCCCCOCC(OC)OC,7500.0,4.0,1.0,0.0,190.283,10.0,3.0,CCCCCCOCC(OC)OC,3.8750612633917,"Hexane, 1-(2,2-dimethoxyethoxy)-"
CCCCCCOCCCCCC,10001.0,4.0,0.0,0.0,186.3389999999999,12.0,1.0,CCCCCCOCCCCCC,4.000043427276863,"Hexane, 1,1'-oxybis-"
CCCCCCOCCO,830.0,3.0,1.0,0.0,146.23,8.0,2.0,CCCCCCOCCO,2.9190780923760737,2-(Hexyloxy)ethanol
CCCCCCOCCOCCO,2400.0,4.0,1.0,0.0,190.28299999999996,10.0,3.0,CCCCCCOCCOCCO,3.380211241711606,2-[2-(Hexyloxy)ethoxy]ethanol
CCCCCCS,1254.0,2.0,2.0,0.0,118.245,6.0,0.0,CCCCCCS,3.0982975364946976,1-Hexanethiol
CCCCCC[Si](OC)(OC)OC,7420.0,4.0,1.0,0.0,206.358,9.0,3.0,CCCCCC[Si](OC)(OC)OC,3.870403905279027,Hexyltrimethoxysilane
CCCCCN(C)N=O,120.0,2.0,2.0,0.0,130.191,6.0,1.0,CCCCCN(C)N=O,2.0791812460476247,N-Amyl-N-methylnitrosamine
CCCCCN(CCCCC)N=O,1750.0,4.0,1.0,0.0,186.299,10.0,1.0,CCCCCN(CCCCC)N=O,3.2430380486862944,Dipentylnitrosamine
CCCCCN(N=O)C(N)=O,560.0,3.0,2.0,0.0,159.189,6.0,2.0,CCCCCN(N=O)C(N)=O,2.7481880270062002,1-Amyl-1-nitrosourea
CCCCCNCCCCC,270.0,3.0,1.0,0.0,157.301,10.0,0.0,CCCCCNCCCCC,2.4313637641589874,N-pentylpentan-1-amine
CCCCCO,2931.0,1.0,2.0,0.0,88.14999999999999,5.0,1.0,CCCCCO,3.4670158184384356,1-Pentanol
CCCCCOC(=O)C1C=CC=CC=1O,2000.0,4.0,2.0,0.0,208.257,12.0,3.0,CCCCCOC(=O)C1C=CC=CC=1O,3.3010299956639813,Pentyl salicylate
CCCCCOC(=O)CC,10001.0,3.0,2.0,0.0,144.21399999999997,8.0,2.0,CCCCCOC(=O)CC,4.000043427276863,Pentyl propionate
CCCCCOC(=O)CCCC,10001.0,4.0,1.0,0.0,172.26799999999994,10.0,2.0,CCCCCOC(=O)CCCC,4.000043427276863,Pentyl valerate
CCCCCOC(=O)CCCCC,7500.0,4.0,1.0,0.0,186.29499999999993,11.0,2.0,CCCCCOC(=O)CCCCC,3.8750612633917,Pentyl hexanoate
CCCCCOC(=S)SCC=C,590.0,4.0,2.0,0.0,204.35999999999993,9.0,1.0,CCCCCOC(=S)SCC=C,2.7708520116421442,"Carbonodithioic acid, O-pentyl S-2-propenyl ester"
CCCCCOC(C)=O,10001.0,2.0,2.0,0.0,130.18699999999998,7.0,2.0,CCCCCOC(C)=O,4.000043427276863,Pentyl acetate
CCCCCOC(CBr)C1C=CC(=CC=1)C1CCCCC1,250.0,3.0,0.0,1.0,353.3440000000002,19.0,1.0,CCCCCOC(CBr)C1C=CC(=CC=1)C1CCCCC1,2.3979400086720375,
CCCCCOC(C[N+]1C=CC=CC=1)C1C=CC(=CC=1)C1CCCCC1,250.0,3.0,0.0,1.0,352.54200000000026,24.0,1.0,CCCCCOC(C[N+]1C=CC=CC=1)C1C=CC(=CC=1)C1CCCCC1,2.3979400086720375,
CCCCCOC(S)=S,1124.75,4.0,2.0,0.0,164.29500000000002,6.0,1.0,CCCCCOC(S)=S,3.0510560018376043,"Carbonodithioic acid, O-pentyl ester, potassium salt (1:1)"
CCCCCOC1C(COCCN(CC)CC)=CC(Br)=CC=1Br,350.0,3.0,0.0,1.0,451.2430000000003,18.0,2.0,CCCCCOC1C(COCCN(CC)CC)=CC(Br)=CC=1Br,2.5440680443502757,"Triethylamine, 2-(3,5-dibromo-2-pentyloxybenzyloxy)-"
CCCCCOC1C=CC(=CC=1)C1C=CC(=CC=1)C#N,7500.0,4.0,2.0,0.0,265.356,18.0,1.0,CCCCCOC1C=CC(=CC=1)C1C=CC(=CC=1)C#N,3.8750612633917,"[1,1'-Biphenyl]-4-carbonitrile, 4'-(pentyloxy)-"
CCCCCOC=O,7500.0,2.0,2.0,0.0,116.15999999999998,6.0,2.0,CCCCCOC=O,3.8750612633917,Pentyl formate
CCCCCOP(=O)(OCCCCC)OCCCCC,10001.0,3.0,1.0,1.0,308.39900000000006,15.0,4.0,CCCCCOP(=O)(OCCCCC)OCCCCC,4.000043427276863,Tripentyl phosphate
CCCCC[Si](OCC)(OCC)OCC,10001.0,4.0,1.0,0.0,234.41199999999995,11.0,3.0,CCCCC[Si](OCC)(OCC)OCC,4.000043427276863,Triethoxypentylsilane
CCCCCl,2670.0,1.0,2.0,0.0,92.569,4.0,0.0,CCCCCl,3.4265112613645754,1-Chlorobutane
CCCCN,372.0,1.0,2.0,0.0,73.139,4.0,0.0,CCCCN,2.5705429398818973,"Formic acid, compd. with 1-butanamine (1:1)"
CCCCN(C)C,188.0,2.0,2.0,0.0,101.19299999999998,6.0,0.0,CCCCN(C)C,2.27415784926368,"N,N-Dimethylbutylamine"
CCCCN(C)C(=O)NC1=CC(Cl)=C(Cl)C=C1,1100.0,4.0,2.0,0.0,275.179,12.0,1.0,CCCCN(C)C(=O)NC1=CC(Cl)=C(Cl)C=C1,3.041392685158225,Neburon
CCCCN(CC)C1C(=CC(=CC=1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O,10000.0,4.0,1.0,0.0,335.28200000000004,13.0,4.0,CCCCN(CC)C1C(=CC(=CC=1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O,4.0,Benfluralin
CCCCN(CC)N=O,380.0,2.0,2.0,0.0,130.191,6.0,1.0,CCCCN(CC)N=O,2.57978359661681,N-Ethyl-N-butylnitrosamine
CCCCN(CCC(O)C1=CC2=C(C=C(Cl)C=C2Cl)C2=CC(=CC=C12)C(F)(F)F)CCCC,3400.0,1.0,0.0,1.0,500.4320000000002,26.0,1.0,CCCCN(CCC(O)C1=CC2=C(C=C(Cl)C=C2Cl)C2=CC(=CC=C12)C(F)(F)F)CCCC,3.531478917042255,Halofantrine hydrochloride
CCCCN(CCCC)C(=O)CF,37.0,4.0,1.0,0.0,189.27399999999992,10.0,1.0,CCCCN(CCCC)C(=O)CF,1.568201724066995,"Acetamide, N,N-dibutyl-2-fluoro-"
CCCCN(CCCC)C(=O)N(CCCC)CCCC,10001.0,4.0,1.0,0.0,284.48799999999994,17.0,1.0,CCCCN(CCCC)C(=O)N(CCCC)CCCC,4.000043427276863,"1,1,3,3-Tetrabutylurea"
CCCCN(CCCC)C(=S)SCSC(=S)N(CCCC)CCCC,10001.0,3.0,0.0,1.0,422.7950000000003,19.0,0.0,CCCCN(CCCC)C(=S)SCSC(=S)N(CCCC)CCCC,4.000043427276863,Methylene dibutyldithiocarbamate
CCCCN(CCCC)C(S)=S,1367.0,4.0,1.0,0.0,205.392,9.0,0.0,CCCCN(CCCC)C(S)=S,3.1357685145678222,Dibutylcarbadithioic acid
CCCCN(CCCC)C1N=C(S)N=C(S)N=1,3500.0,4.0,2.0,0.0,272.443,11.0,0.0,CCCCN(CCCC)C1N=C(S)N=C(S)N=1,3.5440680443502757,"1,3,5-Triazine-2,4(1H,3H)-dithione, 6-(dibutylamino)-"
CCCCN(CCCC)C=O,821.0,3.0,1.0,0.0,157.25699999999995,9.0,1.0,CCCCN(CCCC)C=O,2.9143431571194407,"N,N-Dibutylformamide"
CCCCN(CCCC)CCCC,357.0,4.0,0.0,0.0,185.35499999999993,12.0,0.0,CCCCN(CCCC)CCCC,2.552668216112193,Tributylamine
CCCCN(CCCC)N=O,1200.0,3.0,1.0,0.0,158.24499999999998,8.0,1.0,CCCCN(CCCC)N=O,3.0791812460476247,N-Nitrosodibutylamine
CCCCN(CCCC)S(=O)(=O)C1C=CC(Cl)=CC=1,500.0,4.0,1.0,0.0,303.855,14.0,2.0,CCCCN(CCCC)S(=O)(=O)C1C=CC(Cl)=CC=1,2.6989700043360187,"N,N-Dibutyl-4-chlorobenzenesulfonamide"
CCCCN(CCCCO)N=O,1800.0,4.0,1.0,0.0,174.244,8.0,2.0,CCCCN(CCCCO)N=O,3.255272505103306,Butyl-N-(4-hydroxybutyl)nitrosamine
CCCCN(CCCN)CCCC,820.0,4.0,1.0,0.0,186.34299999999993,11.0,0.0,CCCCN(CCCN)CCCC,2.9138138523837167,"1,3-Propanediamine, N,N-dibutyl-"
CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N1CCOCC1,270.0,4.0,1.0,0.0,398.5480000000003,20.0,4.0,CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N1CCOCC1,2.4313637641589874,Dimorpholamine
CCCCN(CCO)CCCC,1072.0,4.0,1.0,0.0,173.29999999999995,10.0,1.0,CCCCN(CCO)CCCC,3.030194785356751,2-(Dibutylamino)ethanol
CCCCN(CCO)CCO,4525.0,4.0,1.0,0.0,161.24499999999998,8.0,2.0,CCCCN(CCO)CCO,3.655618583541222,N-Butyldiethanolamine
CCCCN(COC(C)=O)N=O,1500.0,4.0,1.0,0.0,174.19999999999996,7.0,3.0,CCCCN(COC(C)=O)N=O,3.1760912590556813,
CCCCN(N=O)C(=O)OCC,900.0,4.0,2.0,0.0,174.19999999999996,7.0,3.0,CCCCN(N=O)C(=O)OCC,2.9542425094393248,N-n-Butyl-N-nitrosourethane
CCCCN(N=O)C(N)=O,400.0,2.0,2.0,0.0,145.16199999999998,5.0,2.0,CCCCN(N=O)C(N)=O,2.6020599913279625,N-Butyl-N-nitrosourea
CCCCN(N=O)C1C=CC(=CC=1)N(CCCC)N=O,2600.0,4.0,1.0,0.0,278.35599999999994,14.0,2.0,CCCCN(N=O)C1C=CC(=CC=1)N(CCCC)N=O,3.4149733479708178,
CCCCN1C(=O)C2C=CC=C(C=2C1=O)[N+]([O-])=O,2030.0,4.0,2.0,0.0,248.23799999999997,12.0,4.0,CCCCN1C(=O)C2C=CC=C(C=2C1=O)[N+]([O-])=O,3.307496037913213,"1H-Isoindole-1,3(2H)-dione, 2-butyl-4-nitro-"
CCCCN1C=NN=C1,50.0,2.0,2.0,0.0,125.17499999999998,6.0,0.0,CCCCN1C=NN=C1,1.6989700043360187,Triazbutil
CCCCN1CCCC1=NC1=CC(Cl)=C(Cl)C=C1,3050.0,4.0,2.0,0.0,285.21799999999996,14.0,0.0,CCCCN1CCCC1=NC1=CC(Cl)=C(Cl)C=C1,3.484299839346786,
CCCCN1CCCC1=O,1150.0,3.0,2.0,0.0,141.214,8.0,1.0,CCCCN1CCCC1=O,3.060697840353612,"2-Pyrrolidinone, 1-butyl-"
CCCCN1CCOCC1,338.0,3.0,2.0,0.0,143.22999999999996,8.0,1.0,CCCCN1CCOCC1,2.5289167002776547,4-Butylmorpholine
CCCCN=C=O,420.0,1.0,2.0,0.0,99.13299999999998,5.0,1.0,CCCCN=C=O,2.6232492903979003,Butyl isocyanate
CCCCNC,420.0,1.0,2.0,0.0,87.16599999999998,5.0,0.0,CCCCNC,2.6232492903979003,"1-Butanamine, N-methyl-"
CCCCNC(=N)NC(N)=N,320.0,3.0,2.0,0.0,157.22099999999998,6.0,0.0,CCCCNC(=N)NC(N)=N,2.505149978319906,Buformin
CCCCNC(=O)C1C=C(N)C=CC=1OCC#C,864.0,4.0,1.0,0.0,246.30999999999997,14.0,2.0,CCCCNC(=O)C1C=C(N)C=CC=1OCC#C,2.936513742478893,
CCCCNC(=O)C1C=CC=CC=1,5140.0,4.0,2.0,0.0,177.247,11.0,1.0,CCCCNC(=O)C1C=CC=CC=1,3.710963118995276,"Benzamide, N-butyl-"
CCCCNC(=O)N1C(NC(=O)OC)=NC2C=CC=CC1=2,10000.0,4.0,3.0,0.0,290.323,14.0,3.0,CCCCNC(=O)N1C(NC(=O)OC)=NC2C=CC=CC1=2,4.0,Benomyl
CCCCNC(=O)NS(=O)(=O)C1=CC=C(N)C=C1,4400.0,4.0,3.0,0.0,271.342,11.0,3.0,CCCCNC(=O)NS(=O)(=O)C1=CC=C(N)C=C1,3.6434526764861874,Carbutamide
CCCCNC(=O)OCC#C,1250.0,3.0,2.0,0.0,155.19699999999995,8.0,2.0,CCCCNC(=O)OCC#C,3.0969100130080562,"Carbamic acid, butyl-, 2-propynyl ester"
CCCCNC(=O)OCC#CI,1377.0,4.0,3.0,0.0,281.09299999999996,8.0,2.0,CCCCNC(=O)OCC#CI,3.1389339402569236,3-Iodo-2-propynyl-N-butylcarbamate
CCCCNC(=O)OCCOC(=O)C=C,3500.0,4.0,1.0,0.0,215.24899999999997,10.0,4.0,CCCCNC(=O)OCCOC(=O)C=C,3.5440680443502757,"2-Propenoic acid, 2-[[(butylamino)carbonyl]oxy]ethyl ester"
CCCCNC(=S)N(CCCC)CCCC,3000.0,4.0,0.0,0.0,244.4479999999999,13.0,0.0,CCCCNC(=S)N(CCCC)CCCC,3.4771212547196626,Tributylthiourea
CCCCNC(=S)NCCCC,350.0,4.0,1.0,0.0,188.33999999999995,9.0,0.0,CCCCNC(=S)NCCCC,2.5440680443502757,"N,N'-Dibutylthiourea"
CCCCNC(N)=O,1255.0,2.0,2.0,0.0,116.164,5.0,1.0,CCCCNC(N)=O,3.098643725817057,N-Butylurea
CCCCNC1(CCCCC1)P(=O)(OCCCC)OCCCC,3000.0,3.0,1.0,1.0,347.4800000000002,18.0,3.0,CCCCNC1(CCCCC1)P(=O)(OCCCC)OCCCC,3.4771212547196626,Buminafos [ISO]
CCCCNC1=CC(=CC(=C1OC1C=CC=CC=1)S(N)(=O)=O)C(O)=O,6000.0,4.0,1.0,0.0,364.42300000000006,17.0,5.0,CCCCNC1=CC(=CC(=C1OC1C=CC=CC=1)S(N)(=O)=O)C(O)=O,3.7781512503836434,Bumetanide
CCCCNC1=CC2=C(C=C1)C(=O)N(CCN(CC)CC)C2=O,580.0,4.0,2.0,0.0,317.43300000000005,18.0,2.0,CCCCNC1=CC2=C(C=C1)C(=O)N(CCN(CC)CC)C2=O,2.7634279935629373,"Phthalimide, 4-butylamino-N-(2-(diethylamino)ethyl)-, hydrochloride"
CCCCNC1C=CC=CC=1,1620.0,3.0,2.0,0.0,149.23699999999997,10.0,0.0,CCCCNC1C=CC=CC=1,3.2095150145426308,N-Butylaniline
CCCCNC1CC(C)(C)NC(C)(C)C1,906.0,4.0,1.0,0.0,212.38099999999997,13.0,0.0,CCCCNC1CC(C)(C)NC(C)(C)C1,2.957128197676813,"N-Butyl-2,2,6,6-tetramethylpiperidin-4-amine"
CCCCNC1CCCCC1,330.0,3.0,2.0,0.0,155.28499999999997,10.0,0.0,CCCCNC1CCCCC1,2.5185139398778875,
CCCCNCC,350.0,2.0,2.0,0.0,101.19299999999998,6.0,0.0,CCCCNCC,2.5440680443502757,N-Ethyl-N-butylamine
CCCCNCCCC,377.0,3.0,1.0,0.0,129.247,8.0,0.0,CCCCNCCCC,2.576341350205793,N-Butyl-1-butanamine
CCCCNCCCCCCN,536.0,4.0,1.0,0.0,172.31599999999997,10.0,0.0,CCCCNCCCCCCN,2.72916478969277,"1,6-Hexanediamine, N-butyl-"
CCCCNCCC[Si](OC)(OC)OC,10001.0,4.0,1.0,0.0,235.4,10.0,3.0,CCCCNCCC[Si](OC)(OC)OC,4.000043427276863,"1-Butanamine, N-[3-(trimethoxysilyl)propyl]-"
CCCCNCCO,1125.5,2.0,2.0,0.0,117.19199999999998,6.0,1.0,CCCCNCCO,3.0513454993365388,"Ethanol, 2-(butylamino)-"
CCCCNP(=S)(OCC)SC1C=CC=CC=1,300.0,4.0,1.0,0.0,289.406,12.0,1.0,CCCCNP(=S)(OCC)SC1C=CC=CC=1,2.4771212547196626,
CCCCNP(N)(N)=S,2823.0,4.0,2.0,0.0,167.218,4.0,0.0,CCCCNP(N)(N)=S,3.450710878146919,N-Butylphosphorothioic triamide
CCCCNS(=O)(=O)C1C=CC=CC=1,2060.0,4.0,2.0,0.0,213.302,10.0,2.0,CCCCNS(=O)(=O)C1C=CC=CC=1,3.3138672203691533,N-Butylbenzenesulfonamide
CCCCO,2470.0,1.0,2.0,0.0,74.12299999999999,4.0,1.0,CCCCO,3.392696953259666,"1-Butanol, potassium salt"
CCCCOC(=O)C(=O)NC1=CC(=CC=C1)C1NN=NN=1,4000.0,4.0,3.0,0.0,289.295,13.0,3.0,CCCCOC(=O)C(=O)NC1=CC(=CC=C1)C1NN=NN=1,3.6020599913279625,Tazanolast
CCCCOC(=O)C(C)C,7500.0,3.0,2.0,0.0,144.21399999999997,8.0,2.0,CCCCOC(=O)C(C)C,3.8750612633917,"Propanoic acid, 2-methyl-, butyl ester"
CCCCOC(=O)C(C)O,3500.0,2.0,2.0,0.0,146.18599999999998,7.0,3.0,CCCCOC(=O)C(C)O,3.5440680443502757,Butyl (2S)-2-hydroxypropanoate
CCCCOC(=O)C(C)OC1C=CC(=CC=1)OC1=CC=C(C=N1)C(F)(F)F,2712.0,4.0,0.0,1.0,383.366,19.0,4.0,CCCCOC(=O)C(C)OC1C=CC(=CC=1)OC1=CC=C(C=N1)C(F)(F)F,3.433289685195026,Fluazifop-P-butyl
CCCCOC(=O)C(C)OC1C=CC(=CC=1)OC1C=CC(=CC=1F)C#N,7500.0,4.0,0.0,0.0,357.38100000000003,20.0,4.0,CCCCOC(=O)C(C)OC1C=CC(=CC=1)OC1C=CC(=CC=1F)C#N,3.8750612633917,Cyhalofop-butyl
CCCCOC(=O)C(Cl)(Cl)C(Cl)=C(Cl)Cl,2090.0,4.0,2.0,0.0,314.423,8.0,2.0,CCCCOC(=O)C(Cl)(Cl)C(Cl)=C(Cl)Cl,3.3201462861110542,"3-Butenoic acid, 2,2,3,4,4-pentachloro-, butyl ester"
CCCCOC(=O)C1(O)C2C=CC=CC=2C2C=CC=CC1=2,10000.0,4.0,3.0,0.0,282.33900000000006,18.0,3.0,CCCCOC(=O)C1(O)C2C=CC=CC=2C2C=CC=CC1=2,4.0,Flurenol-butyl
CCCCOC(=O)C1=CC(=O)CC(C)(C)O1,7400.0,4.0,2.0,0.0,226.2719999999999,12.0,4.0,CCCCOC(=O)C1=CC(=O)CC(C)(C)O1,3.8692317197309762,Butopyronoxyl
CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC,6889.0,4.0,1.0,0.0,278.348,16.0,4.0,CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC,3.838156184752148,Dibutyl phthalate
CCCCOC(=O)C1=CC=CC=C1N,7500.0,4.0,2.0,0.0,193.246,11.0,2.0,CCCCOC(=O)C1=CC=CC=C1N,3.8750612633917,Butyl anthranilate
CCCCOC(=O)C1=CC=CC=C1O,1700.0,4.0,2.0,0.0,194.23,11.0,3.0,CCCCOC(=O)C1=CC=CC=C1O,3.230448921378274,Butyl salicylate
CCCCOC(=O)C1C(C(=O)OCCCC)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl,10000.0,2.0,0.0,1.0,501.06100000000015,17.0,4.0,CCCCOC(=O)C1C(C(=O)OCCCC)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl,4.0,Dibutyl chlorendate
CCCCOC(=O)C1C=CC(=CC=1)C(=O)OCCCC,2751.0,4.0,1.0,0.0,278.3479999999999,16.0,4.0,CCCCOC(=O)C1C=CC(=CC=1)C(=O)OCCCC,3.4394905903896835,Dibutyl terephthalate
CCCCOC(=O)C1C=CC(O)=CC=1,3500.0,4.0,2.0,0.0,194.23,11.0,3.0,CCCCOC(=O)C1C=CC(O)=CC=1,3.5440680443502757,Potassium butylparaben
CCCCOC(=O)C1C=CC=CC=1,2387.0,4.0,2.0,0.0,178.231,11.0,2.0,CCCCOC(=O)C1C=CC=CC=1,3.3778524190067545,Butyl benzoate
CCCCOC(=O)C1C=CC=CC=1C(=O)OCC1C=CC=CC=1,6665.0,4.0,1.0,0.0,312.36499999999995,19.0,4.0,CCCCOC(=O)C1C=CC=CC=1C(=O)OCC1C=CC=CC=1,3.823800153749878,Butyl benzyl phthalate
CCCCOC(=O)C1C=CC=CC=1N=NC1C(O)=C(C=C2C=CC=CC2=1)C(=O)NC1C=C2NC(=O)NC2=CC=1,10001.0,1.0,0.0,2.0,523.5490000000002,29.0,5.0,CCCCOC(=O)C1C=CC=CC=1N=NC1C(O)=C(C=C2C=CC=CC2=1)C(=O)NC1C=C2NC(=O)NC2=CC=1,4.000043427276863,"Benzoic acid, 2-[[3-[[(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)amino]carbonyl]-2-hydroxy-1-naphthalenyl]azo]-, butyl ester"
CCCCOC(=O)C=C,3329.0,2.0,2.0,0.0,128.171,7.0,2.0,CCCCOC(=O)C=C,3.522313795156667,Butyl acrylate
CCCCOC(=O)C=CC(=O)OCCCC,3700.0,4.0,1.0,0.0,228.28799999999993,12.0,4.0,CCCCOC(=O)C=CC(=O)OCCCC,3.568201724066995,Dibutyl maleate
CCCCOC(=O)C=CC1C=CC=CC=1,7500.0,4.0,2.0,0.0,204.269,13.0,2.0,CCCCOC(=O)C=CC1C=CC=CC=1,3.8750612633917,Butyl cinnamate
CCCCOC(=O)CC,5939.0,2.0,2.0,0.0,130.18699999999998,7.0,2.0,CCCCOC(=O)CC,3.7737133252770216,Butyl propionate
CCCCOC(=O)CC#N,4180.0,2.0,2.0,0.0,141.17,7.0,2.0,CCCCOC(=O)CC#N,3.621176281775035,Butyl cyanoacetate
CCCCOC(=O)CC(=C)C(=O)OCCCC,3500.0,4.0,1.0,0.0,242.3149999999999,13.0,4.0,CCCCOC(=O)CC(=C)C(=O)OCCCC,3.5440680443502757,"Butanedioic acid, methylene-, dibutyl ester"
CCCCOC(=O)CC(C(=O)OCCCC)P(=O)(OCCCC)OCCCC,10001.0,4.0,0.0,1.0,422.4990000000003,20.0,7.0,CCCCOC(=O)CC(C(=O)OCCCC)P(=O)(OCCCC)OCCCC,4.000043427276863,
CCCCOC(=O)CC(C)C,7500.0,3.0,1.0,0.0,158.241,9.0,2.0,CCCCOC(=O)CC(C)C,3.8750612633917,Butyl 3-methylbutanoate
CCCCOC(=O)CC(C)O,7500.0,4.0,1.0,0.0,160.213,8.0,3.0,CCCCOC(=O)CC(C)O,3.8750612633917,"Butanoic acid, 3-hydroxy-, butyl ester"
CCCCOC(=O)CC(O)C(=O)OCCCC,9699.0,4.0,1.0,0.0,246.3029999999999,12.0,5.0,CCCCOC(=O)CC(O)C(=O)OCCCC,3.9867269593312185,CERAPP_29553
CCCCOC(=O)CC1C=CC=CC=1,7500.0,4.0,2.0,0.0,192.258,12.0,2.0,CCCCOC(=O)CC1C=CC=CC=1,3.8750612633917,"Benzeneacetic acid, butyl ester"
CCCCOC(=O)CCC(=O)OCCCC,8000.0,4.0,1.0,0.0,230.30399999999992,12.0,4.0,CCCCOC(=O)CCC(=O)OCCCC,3.9030899869919438,Dibutyl butanedioate
CCCCOC(=O)CCCCC(=O)OCCCC,10001.0,4.0,2.0,0.0,258.3579999999999,14.0,4.0,CCCCOC(=O)CCCCC(=O)OCCCC,4.000043427276863,Dibutyl hexanedioate
CCCCOC(=O)CCCCCCCCC(=O)OCCCC,10001.0,4.0,1.0,0.0,314.46600000000007,18.0,4.0,CCCCOC(=O)CCCCCCCCC(=O)OCCCC,4.000043427276863,Dibutyl decanedioate
CCCCOC(=O)CCCCCCCCC=C,7500.0,4.0,0.0,0.0,240.38699999999992,15.0,2.0,CCCCOC(=O)CCCCCCCCC=C,3.8750612633917,Butyl undec-10-enoate
CCCCOC(=O)CCCOC1=CC=C(Cl)C=C1Cl,300.0,4.0,1.0,0.0,305.201,14.0,3.0,CCCCOC(=O)CCCOC1=CC=C(Cl)C=C1Cl,2.4771212547196626,"2,4-DB-butyl"
CCCCOC(=O)CCP1(=O)OC2=CC=CC=C2C2=CC=CC=C12,3500.0,4.0,2.0,0.0,344.34700000000004,19.0,4.0,CCCCOC(=O)CCP1(=O)OC2=CC=CC=C2C2=CC=CC=C12,3.5440680443502757,"6H-Dibenz[c,e][1,2]oxaphosphorin-6-propanoic acid, butyl ester, 6-oxide"
CCCCOC(=O)CCS,194.0,4.0,2.0,0.0,162.254,7.0,2.0,CCCCOC(=O)CCS,2.287801729930226,Butyl 3-mercaptopropionate
CCCCOC(=O)CO,4595.0,2.0,2.0,0.0,132.159,6.0,3.0,CCCCOC(=O)CO,3.66228551572213,Butyl hydroxyacetate
CCCCOC(=O)COC(=O)C1=CC=CC=C1C(=O)OCCCC,7000.0,4.0,2.0,0.0,336.3840000000002,18.0,6.0,CCCCOC(=O)COC(=O)C1=CC=CC=C1C(=O)OCCCC,3.845098040014257,Butylphthalyl butylglycolate
CCCCOC(=O)COC1C=C(Cl)C(Cl)=CC=1Cl,481.0,4.0,2.0,0.0,311.592,12.0,3.0,CCCCOC(=O)COC1C=C(Cl)C(Cl)=CC=1Cl,2.682145076373832,"Butyl (2,4,5-trichlorophenoxy)acetate"
CCCCOC(=O)COC1C=CC(Cl)=CC=1Cl,760.0,4.0,2.0,0.0,277.147,12.0,3.0,CCCCOC(=O)COC1C=CC(Cl)=CC=1Cl,2.8808135922807914,"2,4-D 1-butyl ester"
CCCCOC(=O)CSCSCC(=O)OCCCC,6250.0,4.0,2.0,0.0,308.4650000000001,13.0,4.0,CCCCOC(=O)CSCSCC(=O)OCCCC,3.7958800173440754,"Acetic acid, 2,2'-[methylenebis(thio)]bis-, dibutyl ester"
CCCCOC(=O)Cl,2120.0,1.0,2.0,0.0,136.57799999999995,5.0,2.0,CCCCOC(=O)Cl,3.326335860928751,n-Butyl chloroformate
CCCCOC(=O)N(C)SN(C)C(=O)OC1=CC=CC2CC(C)(C)OC1=2,53.0,4.0,0.0,0.0,382.48200000000014,18.0,5.0,CCCCOC(=O)N(C)SN(C)C(=O)OC1=CC=CC2CC(C)(C)OC1=2,1.724275869600789,Furathiocarb
CCCCOC(=O)NC1=NC(=CC2=NC(=O)ON12)N1CCC=CC1,7500.0,4.0,3.0,0.0,333.34800000000007,15.0,4.0,CCCCOC(=O)NC1=NC(=CC2=NC(=O)ON12)N1CCC=CC1,3.8750612633917,"Carbamic acid, (7-(3,6-dihydro-1(2H)-pyridinyl)-2-oxo-2H-(1,2,4)oxadiazolo(2,3-c)pyrimidin-5-yl)-, butyl ester"
CCCCOC(=O)OCCCC,3500.0,4.0,1.0,0.0,174.23999999999995,9.0,3.0,CCCCOC(=O)OCCCC,3.5440680443502757,"Carbonic acid, dibutyl ester"
CCCCOC(C)=O,10001.0,2.0,2.0,0.0,116.15999999999998,6.0,2.0,CCCCOC(C)=O,4.000043427276863,Butyl acetate
CCCCOC(CBr)C1C=CC(=CC=1)C1CCCC1,250.0,4.0,1.0,1.0,325.29000000000013,17.0,1.0,CCCCOC(CBr)C1C=CC(=CC=1)C1CCCC1,2.3979400086720375,
CCCCOC(N)=O,690.0,1.0,2.0,0.0,117.148,5.0,2.0,CCCCOC(N)=O,2.838849090737255,"Carbamic acid, butyl ester"
CCCCOC(O)CC,1900.0,2.0,1.0,0.0,132.20299999999995,7.0,2.0,CCCCOC(O)CC,3.278753600952829,Propylene glycol monobutyl ether
CCCCOC(OCCCC)C(OCCCC)OCCCC,8900.0,4.0,1.0,0.0,318.4980000000001,18.0,4.0,CCCCOC(OCCCC)C(OCCCC)OCCCC,3.949390006644913,"Butane, 1,1',1'',1'''-(1,2-ethanediylidenetetrakis(oxy))tetrakis- (9CI)"
CCCCOC(S)=S,456.0,2.0,2.0,0.0,150.268,5.0,1.0,CCCCOC(S)=S,2.658964842664435,"Carbonodithioic acid, O-butyl ester, sodium salt (1:1)"
CCCCOC1=NN(C2N=CC=CC=21)C1C=C(C=CC=1)C(F)(F)F,1000.0,4.0,2.0,0.0,335.32900000000006,17.0,1.0,CCCCOC1=NN(C2N=CC=CC=21)C1C=C(C=CC=1)C(F)(F)F,3.0,"1H-Pyrazolo(3,4-b)pyridine, 3-butoxy-1-(alpha,alpha,alpha-trifluoro-m-tolyl)-"
CCCCOC1C=CC(=CC=1)C1C=CC(=CC=1)C#N,10000.0,4.0,2.0,0.0,251.329,17.0,1.0,CCCCOC1C=CC(=CC=1)C1C=CC(=CC=1)C#N,4.0,"[1,1'-Biphenyl]-4-carbonitrile, 4'-butoxy-"
CCCCOC1C=CC(=CC=1)OCC(=O)N(CCN(CC)CC)C1C=C(C=CC=1OCC)OCC,2400.0,1.0,0.0,1.0,486.6530000000003,28.0,5.0,CCCCOC1C=CC(=CC=1)OCC(=O)N(CCN(CC)CC)C1C=C(C=CC=1OCC)OCC,3.380211241711606,Fenoxedil hydrochloride
CCCCOC1C=CC(CC(=O)NO)=CC=1,3370.0,4.0,1.0,0.0,223.272,12.0,3.0,CCCCOC1C=CC(CC(=O)NO)=CC=1,3.5276299008713385,Bufexamac
CCCCOC1C=CC=CC=1,3500.0,3.0,2.0,0.0,150.22099999999998,10.0,1.0,CCCCOC1C=CC=CC=1,3.5440680443502757,Butyl phenyl ether
CCCCOC1CC1C(=O)OCCCC,24.0,4.0,1.0,0.0,214.30499999999992,12.0,3.0,CCCCOC1CC1C(=O)OCCCC,1.380211241711606,
CCCCOC=C,10001.0,1.0,2.0,0.0,100.161,6.0,1.0,CCCCOC=C,4.000043427276863,Butyl vinyl ether
CCCCOCC,1870.0,2.0,2.0,0.0,102.177,6.0,1.0,CCCCOCC,3.271841606536499,1-Ethoxybutane
CCCCOCC(C)O,3400.0,2.0,1.0,0.0,132.203,7.0,2.0,CCCCOCC(C)O,3.531478917042255,1-Butoxy-2-propanol
CCCCOCC(C)OCC(C)O,3737.0,4.0,1.0,0.0,190.283,10.0,3.0,CCCCOCC(C)OCC(C)O,3.5725230978496376,1-(2-Butoxy-1-methylethoxy)propan-2-ol
CCCCOCC(C)OCC(C)OCC(C)O,1840.0,4.0,1.0,0.0,248.36299999999997,13.0,4.0,CCCCOCC(C)OCC(C)OCC(C)O,3.2648178230095364,
CCCCOCC1CO1,2155.0,2.0,2.0,0.0,130.18699999999998,7.0,2.0,CCCCOCC1CO1,3.3334472744967503,Butyl glycidyl ether
CCCCOCCC#N,7460.0,2.0,2.0,0.0,127.187,7.0,1.0,CCCCOCCC#N,3.8727388274726686,"Propanenitrile, 3-butoxy-"
CCCCOCCCC,7400.0,3.0,1.0,0.0,130.231,8.0,1.0,CCCCOCCCC,3.8692317197309762,Butyl ether
CCCCOCCCOC(=O)CCOC1C=C(Cl)C(Cl)=CC=1Cl,500.0,4.0,0.0,1.0,383.69900000000007,16.0,4.0,CCCCOCCCOC(=O)CCOC1C=C(Cl)C(Cl)=CC=1Cl,2.6989700043360187,
CCCCOCCCOC(=O)COC1C=CC(Cl)=CC=1Cl,500.0,4.0,1.0,0.0,335.227,15.0,4.0,CCCCOCCCOC(=O)COC1C=CC(Cl)=CC=1Cl,2.6989700043360187,"2,4-D 3-butoxypropyl ester"
CCCCOCCO,1325.0,2.0,2.0,0.0,118.176,6.0,2.0,CCCCOCCO,3.1222158782728267,"Ethanol, 2-butoxy-, sodium salt"
CCCCOCCOC(=O)C1=CC=CC=C1C(=O)OCCOCCCC,8380.0,4.0,0.0,0.0,366.4540000000003,20.0,6.0,CCCCOCCOC(=O)C1=CC=CC=C1C(=O)OCCOCCCC,3.9232440186302764,Bis(2-butoxyethyl) phthalate
CCCCOCCOC(=O)C1C=CC=CC=1,940.0,4.0,1.0,0.0,222.284,13.0,3.0,CCCCOCCOC(=O)C1C=CC=CC=1,2.9731278535996988,CERAPP_31820
CCCCOCCOC(=O)CCCCC(=O)OCCOCCCC,1098.0,4.0,2.0,0.0,346.46400000000017,18.0,6.0,CCCCOCCOC(=O)CCCCC(=O)OCCOCCCC,3.040602340114073,Bis(2-butoxyethyl) adipate
CCCCOCCOC(=O)COC1C=C(Cl)C(Cl)=CC=1Cl,500.0,4.0,0.0,0.0,355.6450000000001,14.0,4.0,CCCCOCCOC(=O)COC1C=C(Cl)C(Cl)=CC=1Cl,2.6989700043360187,"2,4,5-T-butotyl"
CCCCOCCOC(=O)COC1C=CC(Cl)=CC=1Cl,885.5,4.0,1.0,0.0,321.20000000000005,14.0,4.0,CCCCOCCOC(=O)COC1C=CC(Cl)=CC=1Cl,2.9471885655260937,"2,4-D-Butotyl"
CCCCOCCOC(C)=O,2700.0,4.0,1.0,0.0,160.213,8.0,3.0,CCCCOCCOC(C)=O,3.4313637641589874,2-Butoxyethyl acetate
CCCCOCCOC=C,3100.0,3.0,1.0,0.0,144.214,8.0,2.0,CCCCOCCOC=C,3.4913616938342726,1-Butoxy-2-vinyloxy ethane
CCCCOCCOCCCC,3250.0,4.0,1.0,0.0,174.28399999999996,10.0,2.0,CCCCOCCOCCCC,3.5118833609788744,Ethylene glycol dibutyl ether
CCCCOCCOCCCO,5160.0,4.0,1.0,0.0,176.25599999999997,9.0,3.0,CCCCOCCOCCCO,3.7126497016272113,
CCCCOCCOCCO,6865.0,4.0,1.0,0.0,162.22899999999998,8.0,3.0,CCCCOCCOCCO,3.836640541572774,2-(2-Butoxyethoxy)ethanol
CCCCOCCOCCOC(=O)C1C=CC=CC=1C(=O)OCCOCCOCCCC,9700.0,4.0,0.0,0.0,454.56000000000046,24.0,8.0,CCCCOCCOCCOC(=O)C1C=CC=CC=1C(=O)OCCOCCOCCCC,3.9867717342662448,Bis(2-(2-butoxyethoxy)ethyl) phthalate
CCCCOCCOCCOC(=O)CCCCC(=O)OCCOCCOCCCC,6750.0,3.0,1.0,0.0,434.57000000000033,22.0,8.0,CCCCOCCOCCOC(=O)CCCCC(=O)OCCOCCOCCCC,3.829303772831025,Bis[2-(2-butoxyethoxy)ethyl] hexandioate
CCCCOCCOCCOC(C)=O,9210.0,4.0,1.0,0.0,204.26599999999996,10.0,4.0,CCCCOCCOCCOC(C)=O,3.964259630196849,2-(2-Butoxyethoxy)ethyl acetate
CCCCOCCOCCOC(OCCOCCOCCCC)C1C=C2OCOC2=CC=1,3669.5,3.0,0.0,0.0,456.5760000000003,24.0,8.0,CCCCOCCOCCOC(OCCOCCOCCCC)C1C=C2OCOC2=CC=1,3.5646068920356475,Piprotal
CCCCOCCOCCOCCCC,3900.0,4.0,1.0,0.0,218.33699999999993,12.0,3.0,CCCCOCCOCCOCCCC,3.591064607026499,Diethylene glycol dibutyl ether
CCCCOCCOCCOCCO,5235.0,4.0,1.0,0.0,206.28199999999995,10.0,4.0,CCCCOCCOCCOCCO,3.718916686014861,2-[2-(2-Butoxyethoxy)ethoxy]ethanol
CCCCOCCOCCOCCOCCO,2630.0,4.0,2.0,0.0,250.33499999999992,12.0,5.0,CCCCOCCOCCOCCOCCO,3.419955748489758,"3,6,9,12-Tetraoxahexadecan-1-ol"
CCCCOCCOCCOCCOCCOCCCC,6500.0,4.0,2.0,0.0,306.44300000000004,16.0,5.0,CCCCOCCOCCOCCOCCOCCCC,3.8129133566428557,"5,8,11,14,17-Pentaoxaheneicosane"
CCCCOCCOCCOCOCCOCCOCCCC,2552.0,4.0,2.0,0.0,336.4690000000001,17.0,6.0,CCCCOCCOCCOCOCCOCCOCCCC,3.4068806700491248,"5,8,11,13,16,19-Hexaoxatricosane"
CCCCOCCOCCSC#N,90.0,4.0,1.0,0.0,203.307,9.0,2.0,CCCCOCCOCCSC#N,1.954242509439325,2-(2-Butoxyethoxy)ethyl thiocyanate
CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,5232.0,4.0,0.0,0.0,398.47700000000026,18.0,7.0,CCCCOCCOP(=O)(OCCOCCCC)OCCOCCCC,3.718667735316211,Tris(2-butoxyethyl) phosphate
CCCCOCCO[Si](OCCOCCCC)(OCCOCCCC)OCCOCCCC,3500.0,1.0,0.0,0.0,496.7580000000005,24.0,8.0,CCCCOCCO[Si](OCCOCCCC)(OCCOCCCC)OCCOCCCC,3.5440680443502757,"Silicic acid (H4SiO4), tetrakis(2-butoxyethyl) ester"
CCCCOCN(C(=O)CCl)C1C(CC)=CC=CC=1CC,1870.0,4.0,1.0,0.0,311.85300000000007,17.0,2.0,CCCCOCN(C(=O)CCl)C1C(CC)=CC=CC=1CC,3.271841606536499,Butachlor
CCCCOCNC(=O)C=C,1030.0,3.0,2.0,0.0,157.21299999999997,8.0,2.0,CCCCOCNC(=O)C=C,3.012837224705172,N-(Butoxymethyl)acrylamide
CCCCOCOCCCC,6873.0,4.0,1.0,0.0,160.25699999999998,9.0,2.0,CCCCOCOCCCC,3.83714634390906,"Butane, 1,1'-[methylenebis(oxy)]bis-"
CCCCON=O,83.0,1.0,2.0,0.0,103.121,4.0,2.0,CCCCON=O,1.919078092376074,N-Butylnitrite
CCCCOP(=O)(CC)SC,3.4,4.0,1.0,0.0,196.252,7.0,2.0,CCCCOP(=O)(CC)SC,0.5314789170422551,
CCCCOP(=O)(OC1C=CC=CC=1)OCCCC,2380.0,4.0,1.0,0.0,286.30799999999994,14.0,4.0,CCCCOP(=O)(OC1C=CC=CC=1)OCCCC,3.376576957056512,Dibutyl phenyl phosphate
CCCCOP(=O)(OCCCC)OCCCC,1982.0,4.0,1.0,0.0,266.3179999999999,12.0,4.0,CCCCOP(=O)(OCCCC)OCCCC,3.2971036501492565,Tributyl phosphate
CCCCOP(=O)OCCCC,3743.0,4.0,1.0,0.0,194.21099999999996,8.0,3.0,CCCCOP(=O)OCCCC,3.5732198271144218,Dibutyl phosphite
CCCCOP(C)(=O)CCC(C#N)OC(C)=O,265.0,4.0,2.0,0.0,261.258,11.0,4.0,CCCCOP(C)(=O)CCC(C#N)OC(C)=O,2.423245873936808,"Phosphinic acid, P-[3-(acetyloxy)-3-cyanopropyl]-P-methyl-, butyl ester"
CCCCOP(O)(=O)OCCCC,3200.0,4.0,1.0,0.0,210.20999999999995,8.0,4.0,CCCCOP(O)(=O)OCCCC,3.505149978319906,Ammonium dibutyl phosphate
CCCCOP(OCCCC)OCCCC,3000.0,4.0,1.0,0.0,250.3189999999999,12.0,3.0,CCCCOP(OCCCC)OCCCC,3.4771212547196626,Tributyl phosphite
CCCCP(CCCC)CCCC,750.0,4.0,0.0,0.0,202.32199999999995,12.0,0.0,CCCCP(CCCC)CCCC,2.8750612633917,Tributylphosphine
CCCCS,1500.0,1.0,2.0,0.0,90.191,4.0,0.0,CCCCS,3.1760912590556813,1-Butanethiol
CCCCSCCC1(CC=C)C(=O)NC(S)=NC1=O,1453.0,4.0,2.0,0.0,300.44899999999996,13.0,2.0,CCCCSCCC1(CC=C)C(=O)NC(S)=NC1=O,3.1622656142980214,"Barbituric acid, 5-allyl-5-(2-(butylthio)ethyl)-2-thio-, sodium salt"
CCCCSCCCC,2220.0,3.0,1.0,0.0,146.29899999999998,8.0,0.0,CCCCSCCCC,3.346352974450639,Dibutyl sulfide
CCCCSN(C)C(=O)OC1=CC=CC2CC(C)(C)OC1=2,60.0,4.0,1.0,0.0,309.4310000000001,16.0,3.0,CCCCSN(C)C(=O)OC1=CC=CC2CC(C)(C)OC1=2,1.7781512503836436,"Carbamic acid, (butylthio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester"
CCCCSP(=O)(N(C)C)N(C)C,208.0,4.0,1.0,0.0,224.31,8.0,1.0,CCCCSP(=O)(N(C)C)N(C)C,2.3180633349627615,"Phosphorodiamidothioic acid, tetramethyl-, S-butyl ester"
CCCCSP(=O)(SCCCC)SCCCC,213.0,3.0,1.0,1.0,314.5220000000001,12.0,1.0,CCCCSP(=O)(SCCCC)SCCCC,2.3283796034387376,Tribufos
CCCCSP(SCCCC)SCCCC,1300.0,3.0,1.0,1.0,298.523,12.0,0.0,CCCCSP(SCCCC)SCCCC,3.113943352306837,Merphos
CCCC[N+](CCCC)(CCCC)CCCC,1570.0,4.0,0.0,1.0,242.4709999999999,16.0,0.0,CCCC[N+](CCCC)(CCCC)CCCC,3.1958996524092336,Tetrabutylammonium
CCCC[N+]1(C)C2CC(CC1C1OC12)OC(=O)C(CO)C1C=CC=CC=1,1040.0,4.0,1.0,0.0,360.4740000000001,21.0,4.0,CCCC[N+]1(C)C2CC(CC1C1OC12)OC(=O)C(CO)C1C=CC=CC=1,3.0170333392987803,N-Butylscopolamine
CCCC[P+](CC1C=CC(Cl)=CC=1Cl)(CCCC)CCCC,178.0,3.0,0.0,1.0,362.345,19.0,0.0,CCCC[P+](CC1C=CC(Cl)=CC=1Cl)(CCCC)CCCC,2.250420002308894,Chlorphonium chloride
CCCC[P+](CCCC)(CCCC)CCCC,688.0,3.0,1.0,1.0,259.43799999999993,16.0,0.0,CCCC[P+](CCCC)(CCCC)CCCC,2.837588438235511,Tetrabutylphosphonium
CCCCl,2751.0,1.0,2.0,0.0,78.542,3.0,0.0,CCCCl,3.4394905903896835,1-Chloropropane
CCCN,420.0,1.0,2.0,0.0,59.11199999999999,3.0,0.0,CCCN,2.6232492903979003,Propylammonium nitrate
CCCN(C)C,500.0,1.0,2.0,0.0,87.16599999999998,5.0,0.0,CCCN(C)C,2.6989700043360187,"N,N-Dimethylpropylamine"
CCCN(CC1CC1)C1C(=CC(=CC=1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O,2477.0,4.0,1.0,0.0,347.29300000000006,14.0,4.0,CCCN(CC1CC1)C1C(=CC(=CC=1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O,3.3939260065858368,Profluralin
CCCN(CCC)C(=O)C(CC1=CC=C(C=C1)OCCN(CC)CC)NC(=O)C1C=CC=CC=1,800.0,2.0,0.0,0.0,467.65400000000017,28.0,3.0,CCCN(CCC)C(=O)C(CC1=CC=C(C=C1)OCCN(CC)CC)NC(=O)C1C=CC=CC=1,2.9030899869919438,
CCCN(CCC)C(=O)C(CC1C=CC(=CC=1)OCCN(CC)CC)/N=C(/O)C1C=CC=CC=1,1074.0,2.0,0.0,0.0,467.65400000000017,28.0,3.0,CCCN(CCC)C(=O)C(CC1C=CC(=CC=1)OCCN(CC)CC)/N=C(/O)C1C=CC=CC=1,3.0310042813635367,
CCCN(CCC)C(=O)C(CCC(O)=O)NC(=O)C1C=CC=CC=1,10001.0,4.0,2.0,0.0,334.41600000000005,18.0,4.0,CCCN(CCC)C(=O)C(CCC(O)=O)NC(=O)C1C=CC=CC=1,4.000043427276863,Proglumide
CCCN(CCC)C(=O)SCC1C=CC=CC=1,1820.0,4.0,1.0,0.0,251.395,14.0,1.0,CCCN(CCC)C(=O)SCC1C=CC=CC=1,3.2600713879850747,Prosulfocarb
CCCN(CCC)C1C(=CC(=C(N)C=1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O,10001.0,4.0,0.0,0.0,350.2970000000001,13.0,4.0,CCCN(CCC)C1C(=CC(=C(N)C=1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O,4.000043427276863,Prodiamine
CCCN(CCC)C1C(=CC(=CC=1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O,5483.0,4.0,1.0,0.0,335.28200000000004,13.0,4.0,CCCN(CCC)C1C(=CC(=CC=1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O,3.739018245883481,Trifluralin
CCCN(CCC)C1C(=CC(=CC=1[N+]([O-])=O)S(N)(=O)=O)[N+]([O-])=O,10000.0,4.0,2.0,0.0,346.36500000000007,12.0,6.0,CCCN(CCC)C1C(=CC(=CC=1[N+]([O-])=O)S(N)(=O)=O)[N+]([O-])=O,4.0,Oryzalin
CCCN(CCC)CCC,142.125,3.0,1.0,0.0,143.27399999999997,9.0,0.0,CCCN(CCC)CCC,2.152670477695791,"1-Propanamine, N,N-dipropyl-, acetate"
CCCN(CCC)CCC1C=CC=C2NC(=O)CC=12,629.0,4.0,2.0,0.0,260.3809999999999,16.0,1.0,CCCN(CCC)CCC1C=CC=C2NC(=O)CC=12,2.798650645445269,Ropinirole hydrochloride [USAN:USP]
CCCN(CCC)N=O,480.0,2.0,2.0,0.0,130.191,6.0,1.0,CCCN(CCC)N=O,2.681241237375587,N-Nitrosodipropylamine
CCCN(CCC)S(=O)(=O)C1C=CC(=CC=1)C(O)=O,1602.0,4.0,2.0,0.0,285.36499999999995,13.0,4.0,CCCN(CCC)S(=O)(=O)C1C=CC(=CC=1)C(O)=O,3.204662511748219,Probenecid
CCCN(CCCl)C1C(=CC(=CC=1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O,2072.0,4.0,0.0,0.0,355.70000000000005,12.0,4.0,CCCN(CCCl)C1C(=CC(=CC=1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O,3.3163897510731952,Fluchloralin
CCCN(CCOC1C(Cl)=CC(Cl)=CC=1Cl)C(=O)N1C=CN=C1,1600.0,4.0,1.0,0.0,376.6710000000001,15.0,2.0,CCCN(CCOC1C(Cl)=CC(Cl)=CC=1Cl)C(=O)N1C=CN=C1,3.2041199826559246,Prochloraz
CCCN(N=O)C(N)=O,480.0,1.0,2.0,0.0,131.135,4.0,2.0,CCCN(N=O)C(N)=O,2.681241237375587,N-Propyl-N-nitrosourea
CCCN1C(=O)NC(=O)C2NC=NC1=2,481.0,4.0,2.0,0.0,194.194,8.0,2.0,CCCN1C(=O)NC(=O)C2NC=NC1=2,2.682145076373832,Enprofylline
CCCN1CC(CC2C1CC1=CNC3=CC=CC2=C13)CSC,8.4,4.0,2.0,0.0,314.4980000000001,19.0,0.0,CCCN1CC(CC2C1CC1=CNC3=CC=CC2=C13)CSC,0.9242792860618817,Pergolide methanesulfonate
CCCNC(=N)C(OCC)C1C=CC=CC=1,530.0,4.0,1.0,0.0,220.316,13.0,1.0,CCCNC(=N)C(OCC)C1C=CC=CC=1,2.724275869600789,
CCCNC(=O)NS(=O)(=O)C1=CC=C(Cl)C=C1,2270.0,4.0,3.0,0.0,276.745,10.0,3.0,CCCNC(=O)NS(=O)(=O)C1=CC=C(Cl)C=C1,3.3560258571931225,Chlorpropamide
CCCNC1CC2SC(N)=NC=2CC1,903.0,4.0,2.0,0.0,211.33399999999995,10.0,0.0,CCCNC1CC2SC(N)=NC=2CC1,2.9556877503135057,Pramipexole
CCCNCC(O)COC1C=CC=CC=1C(=O)CCC1C=CC=CC=1,700.0,4.0,2.0,0.0,341.4510000000001,21.0,3.0,CCCNCC(O)COC1C=CC=CC=1C(=O)CCC1C=CC=CC=1,2.845098040014257,Propafenone
CCCNCCC,513.0,2.0,2.0,0.0,101.193,6.0,0.0,CCCNCCC,2.7101173651118162,Dipropylamine
CCCO,1870.0,1.0,2.0,0.0,60.096,3.0,1.0,CCCO,3.271841606536499,"1-Propanol, sodium salt"
CCCOC(=O)C(C)O,2751.0,2.0,2.0,0.0,132.159,6.0,3.0,CCCOC(=O)C(C)O,3.4394905903896835,Propyl L-lactate
CCCOC(=O)C(CC(=O)OCCC)SP(=S)(OC)OC,6000.0,4.0,1.0,0.0,358.4180000000002,12.0,6.0,CCCOC(=O)C(CC(=O)OCCC)SP(=S)(OC)OC,3.7781512503836434,
CCCOC(=O)C1=CC(O)=C(O)C(O)=C1,2900.0,4.0,2.0,0.0,212.201,10.0,5.0,CCCOC(=O)C1=CC(O)=C(O)C(O)=C1,3.462397997898956,Propyl gallate
CCCOC(=O)C1C=CC(O)=CC=1,8750.5,4.0,2.0,0.0,180.20299999999995,10.0,3.0,CCCOC(=O)C1C=CC(O)=CC=1,3.9420328691408253,Potassium propylparaben
CCCOC(=O)C1C=NC(=CC=1)C(=O)OCCC,5230.0,4.0,2.0,0.0,251.28199999999993,13.0,4.0,CCCOC(=O)C1C=NC(=CC=1)C(=O)OCCC,3.718501688867274,"Dipropyl 2,5-pyridinedicarboxylate"
CCCOC(=O)C1COC2=CC=CC=C2O1,7450.0,4.0,2.0,0.0,222.24,12.0,4.0,CCCOC(=O)C1COC2=CC=CC=C2O1,3.8721562727482928,
CCCOC(=O)CCC,10001.0,2.0,2.0,0.0,130.18699999999998,7.0,2.0,CCCOC(=O)CCC,4.000043427276863,"Butanoic acid, propyl ester"
CCCOC(=O)CCC(=O)OCCC,6490.0,4.0,1.0,0.0,202.24999999999991,10.0,4.0,CCCOC(=O)CCC(=O)OCCC,3.812244696800369,"Succinic acid, dipropyl ester"
CCCOC(=O)COC1=CC=CC(=C1)C(C)(C)C,1800.0,4.0,3.0,0.0,250.338,15.0,3.0,CCCOC(=O)COC1=CC=CC(=C1)C(C)(C)C,3.255272505103306,Propyl-3-tert-butylphenoxyacetate
CCCOC(=O)Cl,1114.0,1.0,2.0,0.0,122.551,4.0,2.0,CCCOC(=O)Cl,3.04688519083771,Propyl chloroformate
CCCOC(=O)NC1=CC=CO1,1600.0,4.0,2.0,0.0,169.17999999999998,8.0,3.0,CCCOC(=O)NC1=CC=CO1,3.2041199826559246,
CCCOC(=O)NCCCN(C)C,3500.0,4.0,1.0,0.0,188.27099999999996,9.0,2.0,CCCOC(=O)NCCCN(C)C,3.5440680443502757,Propamocarb hydrochloride
CCCOC(=O)OOC(=O)OCCC,3279.0,4.0,2.0,0.0,206.19399999999993,8.0,6.0,CCCOC(=O)OOC(=O)OCCC,3.515741416669365,Dipropyl peroxydicarbonate
CCCOC(C(=O)OC1CCN(C)CC1)(C1=CC=CC=C1)C1=CC=CC=C1,2250.0,4.0,0.0,0.0,367.489,23.0,3.0,CCCOC(C(=O)OC1CCN(C)CC1)(C1=CC=CC=C1)C1=CC=CC=C1,3.3521825181113627,Propiverine
CCCOC(C)=O,9309.0,1.0,2.0,0.0,102.13299999999998,5.0,2.0,CCCOC(C)=O,3.968903030303828,Propyl acetate
CCCOC(C)OCCC1C=CC=CC=1,6251.0,4.0,1.0,0.0,208.301,13.0,2.0,CCCOC(C)OCCC1C=CC=CC=1,3.7959494989028033,[2-(1-Propoxyethoxy)ethyl]benzene
CCCOC(N)=O,1877.0,1.0,2.0,0.0,103.121,4.0,2.0,CCCOC(N)=O,3.273464272621346,Propyl carbamate
CCCOC1=CC=C(Cl)C2=C1SC1C=CC=CC=1C2=O,6251.0,4.0,2.0,0.0,304.798,16.0,2.0,CCCOC1=CC=C(Cl)C2=C1SC1C=CC=CC=1C2=O,3.7959494989028033,"9H-Thioxanthen-9-one, 1-chloro-4-propoxy-"
CCCOC1C(Cl)=C(Cl)C(Cl)=C(Cl)C=1Cl,430.0,3.0,2.0,1.0,308.419,9.0,1.0,CCCOC1C(Cl)=C(Cl)C(Cl)=C(Cl)C=1Cl,2.6334684555795866,
CCCOC1C=CC(=CC=1)C1C=CC(=CC=1)C#N,7500.0,4.0,1.0,0.0,237.302,16.0,1.0,CCCOC1C=CC(=CC=1)C1C=CC(=CC=1)C#N,3.8750612633917,"[1,1'-Biphenyl]-4-carbonitrile, 4'-propoxy-"
CCCOC=O,3980.0,1.0,2.0,0.0,88.10599999999998,4.0,2.0,CCCOC=O,3.5998830720736876,"Formic acid, propyl ester"
CCCOCC(=NC1C=CC(Cl)=CC=1C(F)(F)F)N1C=NC=C1,715.0,4.0,2.0,0.0,345.752,15.0,1.0,CCCOCC(=NC1C=CC(Cl)=CC=1C(F)(F)F)N1C=NC=C1,2.8543060418010806,Triflumizole
CCCOCC(C)O,2979.0,2.0,2.0,0.0,118.17599999999996,6.0,2.0,CCCOCC(C)O,3.4740705032150436,1-Propoxy-2-propanol
CCCOCC(C)OCC(C)O,1825.0,4.0,1.0,0.0,176.25599999999997,9.0,3.0,CCCOCC(C)OCC(C)O,3.2612628687924934,Butyl dipropasol solvent
CCCOCCN(C(=O)CCl)C1C(CC)=CC=CC=1CC,2200.0,4.0,1.0,0.0,311.85300000000007,17.0,2.0,CCCOCCN(C(=O)CCl)C1C(CC)=CC=CC=1CC,3.342422680822206,Pretilachlor
CCCOCCO,3769.5,1.0,2.0,0.0,104.149,5.0,2.0,CCCOCCO,3.576283747648257,2-Propoxyethanol
CCCOCOCCC,3500.0,2.0,1.0,0.0,132.203,7.0,2.0,CCCOCOCCC,3.5440680443502757,"Propane, 1,1'-[methylenebis(oxy)]bis-"
CCCOP(=S)(OCCC)SC(CC(=O)OCCCC)C(=O)OCCCC,3750.0,4.0,0.0,1.0,442.5800000000004,18.0,6.0,CCCOP(=S)(OCCC)SC(CC(=O)OCCCC)C(=O)OCCCC,3.574031267727719,CERAPP_44178
CCCOP(=S)(OP(=S)(OCCC)OCCC)OCCC,450.0,4.0,0.0,1.0,378.4330000000002,12.0,5.0,CCCOP(=S)(OP(=S)(OCCC)OCCC)OCCC,2.6532125137753435,Aspon
CCCOP(C)(=S)OC1=CC=C(C=C1)[N+]([O-])=O,3.0,4.0,2.0,0.0,275.26599999999996,10.0,4.0,CCCOP(C)(=S)OC1=CC=C(C=C1)[N+]([O-])=O,0.47712125471966244,
CCCO[Si](OCCC)(OCCC)OCCC,2751.0,4.0,2.0,0.0,264.43799999999993,12.0,4.0,CCCO[Si](OCCC)(OCCC)OCCC,3.4394905903896835,Tetrapropyl orthosilicate
CCCP(=O)(CCC)CCC,1410.0,4.0,0.0,0.0,176.23999999999995,9.0,1.0,CCCP(=O)(CCC)CCC,3.1492191126553797,"Phosphine oxide, tripropyl-"
CCCP(=O)(OC)OC,3500.0,2.0,2.0,0.0,152.12999999999997,5.0,3.0,CCCP(=O)(OC)OC,3.5440680443502757,"Phosphonic acid, propyl-, dimethyl ester"
CCCP1(=O)OP(=O)(CCC)OP(=O)(CCC)O1,3500.0,4.0,1.0,0.0,318.18300000000005,9.0,6.0,CCCP1(=O)OP(=O)(CCC)OP(=O)(CCC)O1,3.5440680443502757,"1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide"
CCCS,1760.0,1.0,2.0,0.0,76.16399999999999,3.0,0.0,CCCS,3.24551266781415,"1-Propanethiol, sodium salt (1:1)"
CCCS(=O)(=O)C1=C(Cl)C=NC(Cl)=C1Cl,1100.0,4.0,3.0,0.0,288.58299999999997,8.0,2.0,CCCS(=O)(=O)C1=C(Cl)C=NC(Cl)=C1Cl,3.041392685158225,"2,3,5-Trichloro-4-(propylsulfonyl)pyridine"
CCCS(=O)(=O)C=CS(=O)(=O)CCC,200.0,4.0,1.0,0.0,240.34599999999995,8.0,4.0,CCCS(=O)(=O)C=CS(=O)(=O)CCC,2.3010299956639813,"trans-1,2-Bis(propylsulfonyl)ethylene"
CCCS(=O)(=O)NC1C=CC(F)=C(C(=O)C2=CN(C3N=CC(Br)=CC2=3)C(=O)C2C(Cl)=CC=CC=2Cl)C=1F,2751.0,1.0,0.0,2.0,631.2820000000002,24.0,4.0,CCCS(=O)(=O)NC1C=CC(F)=C(C(=O)C2=CN(C3N=CC(Br)=CC2=3)C(=O)C2C(Cl)=CC=CC=2Cl)C=1F,3.4394905903896835,"N-{3-[5-Bromo-1-(2,6-dichlorobenzoyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide"
CCCS(=O)(=O)NC1C=CC(F)=C(C(=O)C2=CNC3N=CC(Br)=CC2=3)C=1F,2751.0,4.0,1.0,0.0,458.2840000000001,17.0,3.0,CCCS(=O)(=O)NC1C=CC(F)=C(C(=O)C2=CNC3N=CC(Br)=CC2=3)C=1F,3.4394905903896835,"N-[3-(5-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide"
CCCSC(=O)Cl,1129.0,1.0,2.0,0.0,138.61899999999997,4.0,1.0,CCCSC(=O)Cl,3.052693941924968,S-(Propyl) chlorothioformate
CCCSC(=O)N(CCC)CCC,1490.0,4.0,1.0,0.0,203.3509999999999,10.0,1.0,CCCSC(=O)N(CCC)CCC,3.173186268412274,Vernolate
CCCSC1=NC(Cl)=C(C(Cl)=N1)[N+]([O-])=O,300.0,4.0,3.0,0.0,268.12499999999994,7.0,2.0,CCCSC1=NC(Cl)=C(C(Cl)=N1)[N+]([O-])=O,2.4771212547196626,"4,6-Dichloro-5-nitro-2-(propylsulfanyl)pyrimidine"
CCCSC1C=C2N=C(NC(=O)OC)NC2=CC=1,2400.0,4.0,3.0,0.0,265.33799999999997,12.0,2.0,CCCSC1C=C2N=C(NC(=O)OC)NC2=CC=1,3.380211241711606,Albendazole
CCCSP(=O)(OC)OC,9.4,4.0,1.0,0.0,184.19699999999995,5.0,3.0,CCCSP(=O)(OC)OC,0.9731278535996987,"Phosphorothioic acid, O,O-dimethyl S-propyl ester"
CCCSP(=O)(OC1C=CC(=CC=1)SC1C=CC(Cl)=CC=1)OCC,690.0,3.0,0.0,1.0,402.9050000000001,17.0,3.0,CCCSP(=O)(OC1C=CC(=CC=1)SC1C=CC(Cl)=CC=1)OCC,2.838849090737255,Diphenprofos
CCCSP(=O)(OC1C=CC(Br)=CC=1Cl)OCC,492.0,3.0,0.0,1.0,373.636,11.0,3.0,CCCSP(=O)(OC1C=CC(Br)=CC=1Cl)OCC,2.69196510276736,Profenofos
CCC[N+](C)(C)CC[N+](C)(C)CCO,1958.5,4.0,1.0,0.0,204.35799999999995,11.0,1.0,CCC[N+](C)(C)CC[N+](C)(C)CCO,3.2919235758838847,Polixetonium chloride
CCC[N+](CCC)(CCC)CCC,3500.0,4.0,1.0,0.0,186.36299999999991,12.0,0.0,CCC[N+](CCC)(CCC)CCC,3.5440680443502757,Tetrapropylammonium
CCC[N+]([O-])=O,481.0,1.0,2.0,0.0,89.09399999999998,3.0,2.0,CCC[N+]([O-])=O,2.682145076373832,1-Nitropropane
CCC[Si](Cl)(Cl)Cl,976.0,2.0,2.0,0.0,177.534,3.0,0.0,CCC[Si](Cl)(Cl)Cl,2.9894498176666917,Trichloropropylsilane
CCC[Si](OC)(OC)OC,5451.0,4.0,1.0,0.0,164.27699999999996,6.0,3.0,CCC[Si](OC)(OC)OC,3.7364761820276966,Trimethoxypropylsilane
CCC[Si](OCC)(OCC)OCC,5110.0,4.0,1.0,0.0,206.35799999999995,9.0,3.0,CCC[Si](OCC)(OCC)OCC,3.708420900134713,Triethoxypropylsilane
CCN,432.0,1.0,2.0,0.0,45.084999999999994,2.0,0.0,CCN,2.635483746814912,Ethylamine hydrochloride
CCN(C(=O)N(CC)C1C=CC=CC=1)C1C=CC=CC=1,1273.0,4.0,2.0,0.0,268.36,17.0,1.0,CCN(C(=O)N(CC)C1C=CC=CC=1)C1C=CC=CC=1,3.1048284036536553,"N,N'-Diethylcarbanilide"
CCN(C(=O)OCC)C1C=CC=CC=1,2750.0,4.0,2.0,0.0,193.24600000000004,11.0,2.0,CCN(C(=O)OCC)C1C=CC=CC=1,3.439332693830263,"Carbanilic acid, N-ethyl-, ethyl ester"
CCN(C(C)C)C(C)C,333.0,3.0,1.0,0.0,129.247,8.0,0.0,CCN(C(C)C)C(C)C,2.5224442335063197,"2-Propanamine, N-ethyl-N-(1-methylethyl)-"
CCN(C)C,597.0,1.0,2.0,0.0,73.139,4.0,0.0,CCN(C)C,2.775974331129369,"N,N-Dimethylethylamine"
CCN(C)N=O,90.0,1.0,2.0,0.0,88.11,3.0,1.0,CCN(C)N=O,1.954242509439325,N-Nitroso-N-methylethylamine
CCN(C1C=CC=CC=1)C(=O)OC1C=C(C=CC=1)NC(=O)OC(C)C,4000.0,4.0,1.0,0.0,342.39500000000004,19.0,4.0,CCN(C1C=CC=CC=1)C(=O)OC1C=C(C=CC=1)NC(=O)OC(C)C,3.6020599913279625,Phenisopham [BSI:ISO]
CCN(C1C=CC=CC=1)S(=O)(=O)C1C=CC=CC=1N=NC1=C(N)C=CC2=CC(=CC(O)=C21)S(O)(=O)=O,5500.0,2.0,0.0,2.0,526.5960000000002,24.0,6.0,CCN(C1C=CC=CC=1)S(=O)(=O)C1C=CC=CC=1N=NC1=C(N)C=CC2=CC(=CC(O)=C21)S(O)(=O)=O,3.7403626894942437,"2-Naphthalenesulfonic acid, 6-amino-5-[2-[2-[(ethylphenylamino)sulfonyl]phenyl]diazenyl]-4-hydroxy-, sodium salt (1:1)"
CCN(C1CCCCC1)C(=O)SCC,3200.0,4.0,1.0,0.0,215.3619999999999,11.0,1.0,CCN(C1CCCCC1)C(=O)SCC,3.505149978319906,Cycloate
CCN(CC#C)CC,472.0,2.0,2.0,0.0,111.188,7.0,0.0,CCN(CC#C)CC,2.673941998634088,"2-Propyn-1-amine, N,N-diethyl-"
CCN(CC#CCOC(=O)C(O)(C1CCCCC1)C1C=CC=CC=1)CC,460.0,4.0,1.0,0.0,357.4940000000002,22.0,3.0,CCN(CC#CCOC(=O)C(O)(C1CCCCC1)C1C=CC=CC=1)CC,2.662757831681574,Oxybutynin
CCN(CC#N)CC,160.0,2.0,2.0,0.0,112.176,6.0,0.0,CCN(CC#N)CC,2.2041199826559246,"Acetonitrile, (diethylamino)-"
CCN(CC(F)(F)F)N=O,960.0,1.0,2.0,0.0,156.107,4.0,1.0,CCN(CC(F)(F)F)N=O,2.9822712330395684,"N-Nitroso(2,2,2-trifluoroethyl) ethylamine"
CCN(CC(O)=O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,619.0,3.0,0.0,1.0,585.2320000000001,12.0,4.0,CCN(CC(O)=O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,2.791690649020118,Ammonium N-ethyl-N-((heptadecafluorooctyl)sulphonyl)glycinate
CCN(CC)C(=O)C1(CC1CN)C1C=CC=CC=1,213.0,4.0,1.0,0.0,246.354,15.0,1.0,CCN(CC)C(=O)C1(CC1CN)C1C=CC=CC=1,2.3283796034387376,Milnacipran hydrochloride
CCN(CC)C(=O)C1=CC=CC=C1O,580.0,4.0,2.0,0.0,193.246,11.0,2.0,CCN(CC)C(=O)C1=CC=CC=C1O,2.7634279935629373,Diethylsalicylamide
CCN(CC)C(=O)C1C=CC=CC=1,3500.0,4.0,2.0,0.0,177.247,11.0,1.0,CCN(CC)C(=O)C1C=CC=CC=1,3.5440680443502757,"N,N-Diethylbenzamide"
CCN(CC)C(=O)C=C,742.0,2.0,2.0,0.0,127.187,7.0,1.0,CCN(CC)C(=O)C=C,2.870403905279027,"N,N-Diethylacrylamide"
CCN(CC)C(=O)CC1C=CC=CC=1,825.0,4.0,2.0,0.0,191.27400000000003,12.0,1.0,CCN(CC)C(=O)CC1C=CC=CC=1,2.916453948549925,"N,N-Diethylphenylacetamide"
CCN(CC)C(=O)CCl,500.0,2.0,2.0,0.0,149.62099999999998,6.0,1.0,CCN(CC)C(=O)CCl,2.6989700043360187,"Acetamide, 2-chloro-N,N-diethyl-"
CCN(CC)C(=O)CSC1C=CC(Cl)=NN=1,1550.0,4.0,3.0,0.0,259.762,10.0,1.0,CCN(CC)C(=O)CSC1C=CC(Cl)=NN=1,3.1903316981702914,Azintamide
CCN(CC)C(=O)Cl,2700.0,1.0,2.0,0.0,135.594,5.0,1.0,CCN(CC)C(=O)Cl,3.4313637641589874,Diethylcarbamoyl chloride
CCN(CC)C(=O)SCC1C=CC(Cl)=CC=1,1300.0,4.0,2.0,0.0,257.786,12.0,1.0,CCN(CC)C(=O)SCC1C=CC(Cl)=CC=1,3.113943352306837,Thiobencarb
CCN(CC)C(=S)SC1=NC2=CC=CC=C2S1,6000.0,4.0,2.0,0.0,282.459,12.0,0.0,CCN(CC)C(=S)SC1=NC2=CC=CC=C2S1,3.7781512503836434,"Carbamodithioic acid, diethyl-, 2-benzothiazolyl ester"
CCN(CC)C(=S)SCC(=C)Cl,850.0,4.0,2.0,0.0,223.794,8.0,0.0,CCN(CC)C(=S)SCC(=C)Cl,2.929418925714293,Sulfallate
CCN(CC)C(=S)SSC(=S)N(CC)CC,4141.0,4.0,1.0,0.0,296.5520000000001,10.0,0.0,CCN(CC)C(=S)SSC(=S)N(CC)CC,3.617105230502378,Disulfiram
CCN(CC)C(S)=S,1944.3333333333333,2.0,2.0,0.0,149.28400000000002,5.0,0.0,CCN(CC)C(S)=S,3.288770721710353,Sodium diethyldithiocarbamate trihydrate
CCN(CC)C1=C(C=C(C(N)=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O,3350.0,4.0,2.0,0.0,322.24300000000005,11.0,4.0,CCN(CC)C1=C(C=C(C(N)=C1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O,3.525044807036845,Dinitramine
CCN(CC)C1=CC(=CC=C1)S(O)(=O)=O,7470.0,4.0,2.0,0.0,229.301,10.0,3.0,CCN(CC)C1=CC(=CC=C1)S(O)(=O)=O,3.873320601815399,"Benzenesulfonic acid, 3-(diethylamino)-, sodium salt"
CCN(CC)C1=CC2=[O+]C3=CC(=CC=C3N=C2C=C1)N(CC)CC,194.0,4.0,1.0,0.0,324.44800000000004,20.0,1.0,CCN(CC)C1=CC2=[O+]C3=CC(=CC=C3N=C2C=C1)N(CC)CC,2.287801729930226,"Phenoxazin-5-ium, 3,7-bis(diethylamino)-, methanesulfonate"
CCN(CC)C1=CC2=[O+]C3C=C(C=CC=3C(=C2C=C1)C1C=CC(=CC=1S(O)(=O)=O)S(O)(=O)=O)N(CC)CC,7500.0,1.0,0.0,2.0,559.6860000000003,27.0,7.0,CCN(CC)C1=CC2=[O+]C3C=C(C=CC=3C(=C2C=C1)C1C=CC(=CC=1S(O)(=O)=O)S(O)(=O)=O)N(CC)CC,3.8750612633917,C.I. Acid Red 52
CCN(CC)C1=CC2OC3C=C(C=CC=3C3(OC(=O)C4C=CC=CC3=4)C=2C=C1)N(CC)CC,688.0,2.0,0.0,1.0,442.5590000000002,28.0,3.0,CCN(CC)C1=CC2OC3C=C(C=CC=3C3(OC(=O)C4C=CC=CC3=4)C=2C=C1)N(CC)CC,2.837588438235511,C.I. Solvent Red 49
CCN(CC)C1=CC=C2C=C(C3=NC4C=C(C=CC=4O3)S(N)(=O)=O)C(=O)OC2=C1,4250.0,4.0,1.0,0.0,413.4550000000002,20.0,5.0,CCN(CC)C1=CC=C2C=C(C3=NC4C=C(C=CC=4O3)S(N)(=O)=O)C(=O)OC2=C1,3.6283889300503116,3-[5-(Aminosulfonyl)benzoxazol-2-yl]-7-(diethylamino)coumarin
CCN(CC)C1=NC(NC2C=C(C=CC=2S(O)(=O)=O)S(O)(=O)=O)=NC(NC2=CC(=C(C=CC3C=CC(=CC=3S(O)(=O)=O)NC3N=C(NC4C=C(C=CC=4S(O)(=O)=O)S(O)(=O)=O)N=C(N=3)N(CC)CC)C=C2)S(O)(=O)=O)=N1,10001.0,1.0,0.0,3.0,1173.2600000000002,40.0,18.0,CCN(CC)C1=NC(NC2C=C(C=CC=2S(O)(=O)=O)S(O)(=O)=O)=NC(NC2=CC(=C(C=CC3C=CC(=CC=3S(O)(=O)=O)NC3N=C(NC4C=C(C=CC=4S(O)(=O)=O)S(O)(=O)=O)N=C(N=3)N(CC)CC)C=C2)S(O)(=O)=O)=N1,4.000043427276863,"1,4-Benzenedisulfonic acid, 2,2'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino[6-(diethylamino)-1,3,5-triazine-4,2-diyl]imino]]bis-, hexasodium salt"
CCN(CC)C1C=C(O)C(=CC=1)N=O,315.0,4.0,2.0,0.0,194.234,10.0,2.0,CCN(CC)C1C=C(O)C(=CC=1)N=O,2.4983105537896004,5-Diethylamino-2-nitrosophenol
CCN(CC)C1C=C(O)C(C=O)=CC=1,2262.0,4.0,2.0,0.0,193.246,11.0,2.0,CCN(CC)C1C=C(O)C(C=O)=CC=1,3.3544926005894364,4-(Diethylamino)salicylaldehyde
CCN(CC)C1C=C2OC(=O)C(=CC2=CC=1)C1=NC2=CC(Cl)=CC=C2O1,7500.0,4.0,1.0,1.0,368.8200000000001,20.0,3.0,CCN(CC)C1C=C2OC(=O)C(=CC2=CC=1)C1=NC2=CC(Cl)=CC=C2O1,3.8750612633917,"2H-1-Benzopyran-2-one, 3-(5-chloro-2-benzoxazolyl)-7-(diethylamino)-"
CCN(CC)C1C=C2OC(=O)C(=CC2=CC=1)C1NC2=CC=CC=C2C(=O)N=1,7500.0,4.0,1.0,0.0,361.40100000000007,21.0,3.0,CCN(CC)C1C=C2OC(=O)C(=CC2=CC=1)C1NC2=CC=CC=C2C(=O)N=1,3.8750612633917,"4(1H)-Quinazolinone, 2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-"
CCN(CC)C1C=C2OC3=C(C#N)C(=N)N4C(=NC5C=CC=CC4=5)C3=CC2=CC=1,10000.0,4.0,1.0,0.0,381.439,23.0,1.0,CCN(CC)C1C=C2OC3=C(C#N)C(=N)N4C(=NC5C=CC=CC4=5)C3=CC2=CC=1,4.0,"7H-[1]Benzopyrano[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile, 3-(diethylamino)-7-imino-"
CCN(CC)C1C=C2OC3=C(C#N)C(=O)N4C(=NC5C=CC=CC4=5)C3=CC2=CC=1,10000.0,4.0,1.0,0.0,382.42300000000006,23.0,2.0,CCN(CC)C1C=C2OC3=C(C#N)C(=O)N4C(=NC5C=CC=CC4=5)C3=CC2=CC=1,4.0,"7H-[1]Benzopyrano[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile, 3-(diethylamino)-7-oxo-"
CCN(CC)C1C=C2OC3=CC(C=CC3=NC2=CC=1)=[N+](CC)CC,194.0,4.0,1.0,0.0,324.44800000000004,20.0,1.0,CCN(CC)C1C=C2OC3=CC(C=CC3=NC2=CC=1)=[N+](CC)CC,2.287801729930226,"Phenoxazin-5-ium, 3,7-bis(diethylamino)-, formate"
CCN(CC)C1C=CC(=CC=1)C(=N)C1C=CC(=CC=1)N(CC)CC,300.0,4.0,1.0,0.0,323.48400000000004,21.0,0.0,CCN(CC)C1C=CC(=CC=1)C(=N)C1C=CC(=CC=1)N(CC)CC,2.4771212547196626,"4,4'-Carbonimidoylbis(N,N-diethylaniline)"
CCN(CC)C1C=CC(=CC=1)C(C1C=CC(=CC=1S(O)(=O)=O)S(O)(=O)=O)=C1C=CC(C=C1)=[N+](CC)CC,7000.0,2.0,0.0,1.0,545.7030000000002,27.0,6.0,CCN(CC)C1C=CC(=CC=1)C(C1C=CC(=CC=1S(O)(=O)=O)S(O)(=O)=O)=C1C=CC(C=C1)=[N+](CC)CC,3.845098040014257,Sulfan blue
CCN(CC)C1C=CC(=CC=1)C(C1C=CC=CC=1)=C1C=CC(C=C1)=[N+](CC)CC,168.0,3.0,0.0,1.0,385.575,27.0,0.0,CCN(CC)C1C=CC(=CC=1)C(C1C=CC=CC=1)=C1C=CC(C=C1)=[N+](CC)CC,2.225309281725863,Brilliant Green cation
CCN(CC)C1C=CC(=CC=1)N=NC1=NC=C(S1)[N+]([O-])=O,3200.0,4.0,1.0,0.0,305.363,13.0,2.0,CCN(CC)C1C=CC(=CC=1)N=NC1=NC=C(S1)[N+]([O-])=O,3.505149978319906,"Benzenamine, N,N-diethyl-4-[2-(5-nitro-2-thiazolyl)diazenyl]-"
CCN(CC)C1C=CC(C=NN(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1,10000.0,3.0,1.0,1.0,343.47400000000005,23.0,0.0,CCN(CC)C1C=CC(C=NN(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1,4.0,"4-[(Diphenylhydrazinylidene)methyl]-N,N-diethylaniline"
CCN(CC)C1C=CC(C=O)=CC=1,6400.0,4.0,2.0,0.0,177.247,11.0,1.0,CCN(CC)C1C=CC(C=O)=CC=1,3.806179973983887,4-(Diethylamino)benzaldehyde
CCN(CC)C1C=CC(N)=CC=1,200.0,4.0,2.0,0.0,164.25199999999998,10.0,0.0,CCN(CC)C1C=CC(N)=CC=1,2.3010299956639813,"1,4-Benzenediamine, N1,N1-diethyl-, hydrochloride (1:1)"
CCN(CC)C1C=CC=CC=1,782.0,3.0,2.0,0.0,149.237,10.0,0.0,CCN(CC)C1C=CC=CC=1,2.893206753059848,"Boron, (N,N-diethylbenzenamine)trihydro-, (T-4)-"
CCN(CC)C1N=C(Cl)N=C(N=1)N(CC)CC,850.0,4.0,2.0,0.0,257.76899999999995,11.0,0.0,CCN(CC)C1N=C(Cl)N=C(N=1)N(CC)CC,2.929418925714293,Chlorazine
CCN(CC)C1N=C2C=CC=CN2C(=O)C=1C=NN1CCOC1=O,100.0,4.0,3.0,0.0,329.3600000000002,16.0,3.0,CCN(CC)C1N=C2C=CC=CN2C(=O)C=1C=NN1CCOC1=O,2.0,
CCN(CC)CC,1690.0,2.0,2.0,0.0,101.193,6.0,0.0,CCN(CC)CC,3.2278867046136734,Triethylammonium nitrate
CCN(CC)N=O,250.0,1.0,2.0,0.0,102.137,4.0,1.0,CCN(CC)N=O,2.3979400086720375,N-Nitrosodiethylamine
CCN(CC)P1(=S)OCC2=CC(=CC=C2O1)[N+]([O-])=O,150.0,4.0,3.0,0.0,302.29200000000003,11.0,4.0,CCN(CC)P1(=S)OCC2=CC(=CC=C2O1)[N+]([O-])=O,2.1760912590556813,
CCN(CC)S(=O)(=O)CCNC(=O)N(CCCl)N=O,60.0,4.0,2.0,0.0,314.795,9.0,4.0,CCN(CC)S(=O)(=O)CCNC(=O)N(CCCl)N=O,1.7781512503836436,"Ethanesulfonamide, 2-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-N,N-diethyl-"
CCN(CC1=NC=CN1C1=CC=C(C=C1C(=O)C1=CC=CC=C1Cl)[N+]([O-])=O)CC,1580.0,4.0,0.0,0.0,412.8770000000002,21.0,3.0,CCN(CC1=NC=CN1C1=CC=C(C=C1C(=O)C1=CC=CC=C1Cl)[N+]([O-])=O)CC,3.1986570869544226,Nizofenone
CCN(CC1C(F)=CC=CC=1Cl)C1C(=CC(=CC=1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O,3100.0,4.0,1.0,1.0,421.7340000000001,16.0,4.0,CCN(CC1C(F)=CC=CC=1Cl)C1C(=CC(=CC=1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O,3.4913616938342726,Flumetralin
CCN(CC1C=C(C=CC=1O)C1C=CC=CC=1)CC,28.0,4.0,1.0,0.0,255.361,17.0,1.0,CCN(CC1C=C(C=CC=1O)C1C=CC=CC=1)CC,1.4471580313422192,"(1,1'-Biphenyl)-4-ol, 3-((diethylamino)methyl)-"
CCN(CC1C=CC=CC=1)C1C=CC(C=C(C#N)C(=O)OCC[N+](C)(C)C)=CC=1,3800.0,4.0,0.0,0.0,392.5230000000002,24.0,2.0,CCN(CC1C=CC=CC=1)C1C=CC(C=C(C#N)C(=O)OCC[N+](C)(C)C)=CC=1,3.57978359661681,"Ethanaminium, 2-[[2-cyano-3-[4-[ethyl(phenylmethyl)amino]phenyl]-1-oxo-2-propen-1-yl]oxy]-N,N,N-trimethyl-, chloride (1:1)"
CCN(CC1C=CC=CC=1)N=O,250.0,4.0,2.0,0.0,164.20799999999997,9.0,1.0,CCN(CC1C=CC=CC=1)N=O,2.3979400086720375,"Benzylamine, N-ethyl-N-nitroso-"
CCN(CC1C=CN=CC=1)C(=O)C(CO)C1C=CC=CC=1,865.0,4.0,2.0,0.0,284.359,17.0,2.0,CCN(CC1C=CN=CC=1)C(=O)C(CO)C1C=CC=CC=1,2.9370161074648142,Tropicamide
CCN(CC1CCCCN1CC(=O)N1C2N=CC=CC=2NC(=O)C2C=CC=CC1=2)CC,1533.0,4.0,0.0,0.0,421.5450000000001,24.0,2.0,CCN(CC1CCCCN1CC(=O)N1C2N=CC=CC=2NC(=O)C2C=CC=CC1=2)CC,3.185542154854375,AF-DX 116
CCN(CCC#N)C1C=CC(=CC=1)N=NC1=CC=C(C=C1Cl)[N+]([O-])=O,2786.0,4.0,0.0,1.0,357.80100000000004,17.0,2.0,CCN(CCC#N)C1C=CC(=CC=1)N=NC1=CC=C(C=C1Cl)[N+]([O-])=O,3.4449811120879446,CERAPP_40189
CCN(CCC#N)C1C=CC(=CC=1)N=NC1C=CC(=CC=1)[N+]([O-])=O,3500.0,4.0,1.0,0.0,323.35600000000005,17.0,2.0,CCN(CCC#N)C1C=CC(=CC=1)N=NC1C=CC(=CC=1)[N+]([O-])=O,3.5440680443502757,C.I. Disperse Orange 25
CCN(CCC#N)C1C=CC(=CC=1)N=NC1C=CC(=CC=1C#N)[N+]([O-])=O,7500.0,4.0,1.0,0.0,348.3660000000001,18.0,2.0,CCN(CCC#N)C1C=CC(=CC=1)N=NC1C=CC(=CC=1C#N)[N+]([O-])=O,3.8750612633917,2-({4-[(2-Cyanoethyl)(ethyl)amino]phenyl}diazenyl)-5-nitrobenzonitrile
CCN(CCC#N)C1C=CC=CC=1,4840.0,4.0,2.0,0.0,174.247,11.0,0.0,CCN(CCC#N)C1C=CC=CC=1,3.6848453616444123,"Propanenitrile, 3-(ethylphenylamino)-, monohydrochloride"
CCN(CCC#N)CC,1250.0,2.0,2.0,0.0,126.203,7.0,0.0,CCN(CCC#N)CC,3.0969100130080562,"Propanenitrile, 3-(diethylamino)-"
CCN(CCC(=O)OC)C1C=CC=CC=1,2450.0,4.0,2.0,0.0,207.273,12.0,2.0,CCN(CCC(=O)OC)C1C=CC=CC=1,3.3891660843645326,".beta.-Alanine, N-ethyl-N-phenyl-, methyl ester"
CCN(CCC1=NC(=NO1)C1C=CC=CC=1)CC,2200.5,4.0,1.0,0.0,245.326,14.0,1.0,CCN(CCC1=NC(=NO1)C1C=CC=CC=1)CC,3.342521372898964,Oxalamine citrate
CCN(CCCC)C(=O)SCCC,1020.5,4.0,1.0,0.0,203.35099999999997,10.0,1.0,CCN(CCCC)C(=O)SCCC,3.0088130090520893,Pebulate
CCN(CCCCOC(=O)C1=CC(OC)=C(C=C1)OC)C(C)CC1C=CC(=CC=1)OC,1540.0,4.0,0.0,0.0,429.5570000000002,25.0,5.0,CCN(CCCCOC(=O)C1=CC(OC)=C(C=C1)OC)C(C)CC1C=CC(=CC=1)OC,3.187520720836463,Mebeverine
CCN(CCCCOC(=O)C1=CC(OC)=C(C=C1)OC)C1CC2=CC=C(C=C2CC1)OC,3500.0,4.0,0.0,0.0,441.56800000000027,26.0,5.0,CCN(CCCCOC(=O)C1=CC(OC)=C(C=C1)OC)C1CC2=CC=C(C=C2CC1)OC,3.5440680443502757,
CCN(CCCN(C1CC2=CC=CC=C2C1)C1C=CC=CC=1)CC,525.0,4.0,1.0,0.0,322.4960000000001,22.0,0.0,CCN(CCCN(C1CC2=CC=CC=C2C1)C1C=CC=CC=1)CC,2.720159303405957,Aprindine
CCN(CCCN)CC,690.0,3.0,1.0,0.0,130.235,7.0,0.0,CCN(CCCN)CC,2.838849090737255,"1,3-Propanediamine, N,N-diethyl-"
CCN(CCCOS(C)(=O)=O)CCCOS(C)(=O)=O,375.0,4.0,2.0,0.0,317.42900000000003,10.0,6.0,CCN(CCCOS(C)(=O)=O)CCCOS(C)(=O)=O,2.574031267727719,"1-Propanol, 3,3'-(ethylimino)di-, dimethanesulfonate (ester), hydrochloride"
CCN(CCCl)C1C=CC(C=O)=CC=1,78.0,4.0,2.0,0.0,211.69200000000004,11.0,1.0,CCN(CCCl)C1C=CC(C=O)=CC=1,1.8920946026904804,p-((2-Chloroethyl)ethylamino)benzaldehyde
CCN(CCCl)C1C=CC=CC=1,616.0,4.0,2.0,0.0,183.68200000000004,10.0,0.0,CCN(CCCl)C1C=CC=CC=1,2.7895807121644256,N-(2-Chloroethyl)-N-ethylaniline
CCN(CCCl)CC,20.5,2.0,2.0,0.0,135.638,6.0,0.0,CCN(CCCl)CC,1.3117538610557542,"Ethanamine, 2-chloro-N,N-diethyl-"
CCN(CCCl)CCCl,2.5,4.0,2.0,0.0,170.083,6.0,0.0,CCN(CCCl)CCCl,0.3979400086720376,Nitrogen mustard (HN-1)
CCN(CCN(CCN(CC)CC)N1C=C(C2C=C(Cl)C=CC1=2)C1C=CC(Cl)=CC=1)CC,780.0,2.0,0.0,1.0,475.5080000000001,26.0,0.0,CCN(CCN(CCN(CC)CC)N1C=C(C2C=C(Cl)C=CC1=2)C1C=CC(Cl)=CC=1)CC,2.8920946026904804,
CCN(CCN)CC,1232.0,2.0,2.0,0.0,116.208,6.0,0.0,CCN(CCN)CC,3.090610707828407,2-Aminoethyldiethylamine
CCN(CCN1C(=O)CN=C(C2=CC=CC=C2F)C2=CC(Cl)=CC=C12)CC,879.0,4.0,0.0,0.0,387.88600000000014,21.0,1.0,CCN(CCN1C(=O)CN=C(C2=CC=CC=C2F)C2=CC(Cl)=CC=C12)CC,2.9439888750737717,Flurazepam dihydrochloride
CCN(CCN1C(=O)CN=C(C2=CC=CC=C2F)C2C=C(Cl)C=CC1=2)CC,978.0,4.0,0.0,0.0,387.88600000000014,21.0,1.0,CCN(CCN1C(=O)CN=C(C2=CC=CC=C2F)C2C=C(Cl)C=CC1=2)CC,2.9903388547876015,Flurazepam monohydrochloride
CCN(CCN1C(=O)CN=C(C2C=CC=CC=2F)C2C=C(Cl)C=CC1=2)CC,980.0,4.0,0.0,0.0,387.88600000000014,21.0,1.0,CCN(CCN1C(=O)CN=C(C2C=CC=CC=2F)C2C=C(Cl)C=CC1=2)CC,2.9912260756924947,Flurazepam
CCN(CCN1C2C(=O)N(C)C(=O)N(C)C=2N=C1CC1C=CC=CC=1)CCO,1139.0,4.0,1.0,0.0,385.4680000000002,20.0,3.0,CCN(CCN1C2C(=O)N(C)C(=O)N(C)C=2N=C1CC1C=CC=CC=1)CCO,3.0565237240791006,Bamifylline Hydrochloride
CCN(CCNC(=O)C1=CC=C(Cl)C=C1OCC=C)CC,3000.0,4.0,2.0,0.0,310.8250000000001,16.0,2.0,CCN(CCNC(=O)C1=CC=C(Cl)C=C1OCC=C)CC,3.4771212547196626,Alloclamide
CCN(CCNC(=O)C1C=CC(N)=CC=1)CC,1895.0,4.0,1.0,0.0,235.331,13.0,1.0,CCN(CCNC(=O)C1C=CC(N)=CC=1)CC,3.2776092143040914,Procainamide
CCN(CCNC(=O)COC1C=CC(Cl)=CC=1)CC,1040.0,4.0,2.0,0.0,284.78700000000003,14.0,2.0,CCN(CCNC(=O)COC1C=CC(Cl)=CC=1)CC,3.0170333392987803,Clofexamide
CCN(CCNC(=O)SCC(C)C)C(=O)SCC(C)C,2710.0,4.0,1.0,0.0,320.52400000000006,14.0,2.0,CCN(CCNC(=O)SCC(C)C)C(=O)SCC(C)C,3.432969290874406,"N-Ethyl-1,2-bis(isobutylthiolcarbamoyl)ethane"
CCN(CCNC1=CC=C(CO)C2SC3=CC=CC=C3C(=O)C1=2)CC,980.0,4.0,0.0,0.0,356.4910000000001,20.0,2.0,CCN(CCNC1=CC=C(CO)C2SC3=CC=CC=C3C(=O)C1=2)CC,2.9912260756924947,Hycanthone
CCN(CCO)C(=S)NP(=S)(OC)OC,17.0,4.0,2.0,0.0,272.33200000000005,7.0,3.0,CCN(CCO)C(=S)NP(=S)(OC)OC,1.2304489213782739,"Phosphoramidothioic acid, (ethyl(2-hydroxyethyl)-thiocarbamoyl)-, O,O-dimethyl ester"
CCN(CCO)C1C=CC(=CC=1)/N=N/C1SC2C=C(C=CC=2[N+]=1C)OC,2120.0,4.0,0.0,0.0,371.4860000000001,19.0,2.0,CCN(CCO)C1C=CC(=CC=1)/N=N/C1SC2C=C(C=CC=2[N+]=1C)OC,3.326335860928751,"Benzothiazolium, 2-[2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]diazenyl]-6-methoxy-3-methyl-, chloride (1:1)"
CCN(CCO)C1C=CC(=CC=1)N=NC1SC2C=C(C=CC=2[N+]=1C)OC,3994.0,4.0,0.0,0.0,371.4860000000001,19.0,2.0,CCN(CCO)C1C=CC(=CC=1)N=NC1SC2C=C(C=CC=2[N+]=1C)OC,3.6014080605346837,C.I. Basic Blue 41
CCN(CCO)C1C=CC=CC=1,1640.0,4.0,2.0,0.0,165.236,10.0,1.0,CCN(CCO)C1C=CC=CC=1,3.214843848047698,"Ethanol, 2-(ethylphenylamino)-"
CCN(CCO)CC,1320.0,2.0,2.0,0.0,117.192,6.0,1.0,CCN(CCO)CC,3.12057393120585,"Ethanol, 2-(diethylamino)-, hydrochloride"
CCN(CCO)CCO,4570.0,1.0,1.0,0.0,133.191,6.0,2.0,CCN(CCO)CCO,3.6599162000698504,Ethyl diethanolamine
CCN(CCOC(=O)C(CC1=CC=CC2=CC=CC=C12)CC1CCCO1)CC,1890.0,4.0,0.0,0.0,383.5320000000002,24.0,3.0,CCN(CCOC(=O)C(CC1=CC=CC2=CC=CC=C12)CC1CCCO1)CC,3.2764618041732443,Nafronyl
CCN(CCOC(=O)C(CC1C=CC=C2C=CC=CC=12)CC1CCCO1)CC,711.0,4.0,0.0,0.0,383.5320000000002,24.0,3.0,CCN(CCOC(=O)C(CC1C=CC=C2C=CC=CC=12)CC1CCCO1)CC,2.851869600729766,Nafronyl oxalate
CCN(CCOC(=O)C(O)(C1C=CC=CC=1)C1C=CC=CC=1)CC,184.0,4.0,2.0,0.0,327.42400000000004,20.0,3.0,CCN(CCOC(=O)C(O)(C1C=CC=CC=1)C1C=CC=CC=1)CC,2.2648178230095364,Benactyzine
CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC,1290.0,4.0,1.0,0.0,309.4940000000001,19.0,2.0,CCN(CCOC(=O)C1(CCCCC1)C1CCCCC1)CC,3.110589710299249,Dicyclomine
CCN(CCOC(=O)C1C=CC(N)=CC=1)CC,200.0,4.0,1.0,0.0,236.315,13.0,2.0,CCN(CCOC(=O)C1C=CC(N)=CC=1)CC,2.3010299956639813,Procaine phosphate
CCN(CCOC(=O)C1C=NC=CC=1)CC,8400.0,4.0,1.0,0.0,222.288,12.0,2.0,CCN(CCOC(=O)C1C=NC=CC=1)CC,3.9242792860618816,Nicametate
CCN(CCOC(=O)C=C)CC,770.0,4.0,1.0,0.0,171.23999999999998,9.0,2.0,CCN(CCOC(=O)C=C)CC,2.886490725172482,(2-(Acryloyloxy)ethyl)diethylammonium hydrogen sulphate
CCN(CCOC1C=CC(=CC=1)C(=C(Cl)C1C=CC=CC=1)C1C=CC=CC=1)CC,5750.0,3.0,0.0,1.0,405.9690000000001,26.0,1.0,CCN(CCOC1C=CC(=CC=1)C(=C(Cl)C1C=CC=CC=1)C1C=CC=CC=1)CC,3.7596678446896306,Clomiphene
CCN(CCOC1C=CN=C(N)N=1)CC,3500.0,4.0,1.0,0.0,210.281,10.0,1.0,CCN(CCOC1C=CN=C(N)N=1)CC,3.5440680443502757,"Pyrimidine, 2-amino-4-(2-diethylaminoethoxy)-"
CCN(CCOCCOC(=O)C(CC)(CC)C1C=CC=CC=1)CC,183.0,4.0,1.0,0.0,335.48799999999994,20.0,3.0,CCN(CCOCCOC(=O)C(CC)(CC)C1C=CC=CC=1)CC,2.2624510897304293,Oxeladin
CCN(CCOCCOC(=O)C1(CCCC1)C1C=CC=CC=1)CC,480.0,4.0,2.0,0.0,333.47200000000015,20.0,3.0,CCN(CCOCCOC(=O)C1(CCCC1)C1C=CC=CC=1)CC,2.681241237375587,Carbetapentane citrate
CCN(CCSC(=O)C(C1C=CC=CC=1)C1C=CC=CC=1)CC,2720.0,4.0,1.0,0.0,327.49300000000005,20.0,1.0,CCN(CCSC(=O)C(C1C=CC=CC=1)C1C=CC=CC=1)CC,3.4345689040341987,Thiphenamil
CCN(CCSC(=S)N1C2=CC=CC=C2SC2=CC=CC=C12)CC,3500.0,3.0,1.0,1.0,374.60000000000014,19.0,0.0,CCN(CCSC(=S)N1C2=CC=CC=C2SC2=CC=CC=C12)CC,3.5440680443502757,RP 7360
CCN(CCSP(=O)(OCC)OCC)CC,3.0,4.0,2.0,0.0,269.347,10.0,3.0,CCN(CCSP(=O)(OCC)OCC)CC,0.47712125471966244,Amiton oxalate
CCN(CC[N+](C)(C)CC(C)O)C1C=CC(=CC=1)N=NC1=CC=C(C=C1Cl)[N+]([O-])=O,1770.0,4.0,0.0,0.0,434.9480000000002,21.0,3.0,CCN(CC[N+](C)(C)CC(C)O)C1C=CC(=CC=1)N=NC1=CC=C(C=C1Cl)[N+]([O-])=O,3.247973266361807,"1-Propanaminium, N-[2-[[4-[2-(2-chloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]ethyl]-2-hydroxy-N,N-dimethyl-, acetate (1:1)"
CCN(CC[N+]1C=CC=CC=1)C1C=CC(=CC=1)N=NC1=CC=C(C=C1Cl)[N+]([O-])=O,2231.0,4.0,0.0,1.0,410.8850000000001,21.0,2.0,CCN(CC[N+]1C=CC=CC=1)C1C=CC(=CC=1)N=NC1=CC=C(C=C1Cl)[N+]([O-])=O,3.348499570283838,"Pyridinium, 1-[2-[[4-[2-(2-chloro-4-nitrophenyl)diazenyl]phenyl]ethylamino]ethyl]-, acetate (1:1)"
CCN(N=O)C(C)C,1100.0,2.0,2.0,0.0,116.16399999999996,5.0,1.0,CCN(N=O)C(C)C,3.041392685158225,"Diethylamine, 1-methyl-N-nitroso-"
CCN(N=O)C(C)OC,1000.0,2.0,2.0,0.0,132.16299999999998,5.0,2.0,CCN(N=O)C(C)OC,3.0,
CCN(N=O)C(N)=O,300.0,1.0,2.0,0.0,117.108,3.0,2.0,CCN(N=O)C(N)=O,2.4771212547196626,1-Ethyl-1-nitrosourea
CCN(N=O)OCC,1000.0,1.0,2.0,0.0,118.136,4.0,2.0,CCN(N=O)OCC,3.0,
CCN(O)CC,2190.0,1.0,2.0,0.0,89.138,4.0,1.0,CCN(O)CC,3.3404441148401185,"Ethanamine, N-ethyl-N-hydroxy-, sulfate (1:1) (salt)"
CCN1C(=O)C=CC1=O,25.0,1.0,2.0,0.0,125.12699999999997,6.0,2.0,CCN1C(=O)C=CC1=O,1.3979400086720377,N-Ethylmaleimide
CCN1C(=O)N(CC=C)C(=N)CC1=O,2300.0,4.0,2.0,0.0,195.22199999999995,9.0,2.0,CCN1C(=O)N(CC=C)C(=N)CC1=O,3.361727836017593,Aminometradine
CCN1C(=O)NC(C2C=CC=CC=2)C1=O,1500.0,4.0,2.0,0.0,204.229,11.0,2.0,CCN1C(=O)NC(C2C=CC=CC=2)C1=O,3.1760912590556813,Ethotoin
CCN1C(=O)OC2C=CC(Cl)=CC1=2,1350.0,4.0,2.0,0.0,197.621,9.0,2.0,CCN1C(=O)OC2C=CC(Cl)=CC1=2,3.130333768495006,"2-Benzoxazolinone, 5-chloro-3-ethyl-"
CCN1C(NC2C=CC(=CC=2)OCCN2CCCCC2)C2C=CC=CC=2C1=O,695.0,4.0,0.0,0.0,379.50400000000025,23.0,2.0,CCN1C(NC2C=CC(=CC=2)OCCN2CCCCC2)C2C=CC=CC=2C1=O,2.8419848045901137,Etomidoline
CCN1C2=CC=CC=C2C2C=C(N)C=CC1=2,234.0,4.0,2.0,0.0,210.27999999999997,14.0,0.0,CCN1C2=CC=CC=C2C2C=C(N)C=CC1=2,2.369215857410143,3-Amino-9-ethylcarbazole hydrochloride
CCN1C2=CC=CC=C2C2C=CC=CC1=2,6251.0,4.0,1.0,0.0,195.265,14.0,0.0,CCN1C2=CC=CC=C2C2C=CC=CC1=2,3.7959494989028033,9-Ethylcarbazole
CCN1C2C=CC(N)=CC=2C2C=CC=CC1=2,144.0,4.0,2.0,0.0,210.27999999999997,14.0,0.0,CCN1C2C=CC(N)=CC=2C2C=CC=CC1=2,2.1583624920952498,3-Amino-9-ethylcarbazole
CCN1C=C(C(=O)C2=CC3OCOC=3C=C12)C(O)=O,525.0,4.0,3.0,0.0,261.23299999999995,13.0,5.0,CCN1C=C(C(=O)C2=CC3OCOC=3C=C12)C(O)=O,2.720159303405957,Oxolinic acid
CCN1C=C(C(=O)C2C=C(F)C(=C(F)C1=2)N1CCNC(C)C1)C(O)=O,2678.0,4.0,2.0,0.0,351.353,17.0,3.0,CCN1C=C(C(=O)C2C=C(F)C(=C(F)C1=2)N1CCNC(C)C1)C(O)=O,3.42781057267599,Lomefloxacin
CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(C=C12)N1C=CC=C1,7500.0,4.0,3.0,0.0,300.289,16.0,3.0,CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(C=C12)N1C=CC=C1,3.8750612633917,Irloxacin
CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(C=C12)N1CCNCC1,4000.0,4.0,3.0,0.0,319.336,16.0,3.0,CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(C=C12)N1CCNCC1,3.6020599913279625,Norfloxacin
CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(N=C12)N1CCNCC1,7500.0,4.0,3.0,0.0,320.324,15.0,3.0,CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(N=C12)N1CCNCC1,3.8750612633917,Enoxacin
CCN1C=C(C(O)=O)C(=O)C2=CN=C(N=C12)N1CCNCC1,7500.0,4.0,3.0,0.0,303.32200000000006,14.0,3.0,CCN1C=C(C(O)=O)C(=O)C2=CN=C(N=C12)N1CCNCC1,3.8750612633917,Pipemidic acid trihydrate
CCN1C=C(C(O)=O)C(=O)C2C=NC(=NC1=2)N1CCCC1,7500.0,4.0,3.0,0.0,288.307,14.0,3.0,CCN1C=C(C(O)=O)C(=O)C2C=NC(=NC1=2)N1CCCC1,3.8750612633917,Piromidic acid
CCN1C=C(C(O)=O)C(=O)C2C=NC(=NC1=2)N1CCNCC1,10001.0,4.0,3.0,0.0,303.32200000000006,14.0,3.0,CCN1C=C(C(O)=O)C(=O)C2C=NC(=NC1=2)N1CCNCC1,4.000043427276863,Pipemidic acid
CCN1C=CC(=O)N2N=C(C=C21)C1=CC=CS1,500.0,4.0,2.0,0.0,245.307,12.0,1.0,CCN1C=CC(=O)N2N=C(C=C21)C1=CC=CS1,2.6989700043360187,"Pyrazolo(1,5-a)pyrimidin-7(4H)-one, 4-ethyl-2-(2-thienyl)-"
CCN1C=CC(C=C1)=C1C(=O)C2=CC=CC=C2C1=O,330.0,4.0,3.0,0.0,251.285,16.0,2.0,CCN1C=CC(C=C1)=C1C(=O)C2=CC=CC=C2C1=O,2.5185139398778875,"1,3-Indandione, 2-(1-ethyl-4(1H)-pyridinylidene)-"
CCN1C=[N+](C)C=C1,2580.2,1.0,2.0,0.0,111.168,6.0,0.0,CCN1C=[N+](C)C=C1,3.411653370897312,1-Ethyl-3-methylimidazolium
CCN1CCC2=C3C1CC=C(C(=O)OC)N3C1=CC=CC=C21,2348.0,4.0,3.0,0.0,296.37000000000006,18.0,2.0,CCN1CCC2=C3C1CC=C(C(=O)OC)N3C1=CC=CC=C21,3.370698092575577,
CCN1CCCC1=O,2275.0,1.0,2.0,0.0,113.16,6.0,1.0,CCN1CCCC1=O,3.3569814009931314,1-Ethyl-2-pyrrolidinone
CCN1CCCC1CNC(=O)C1C=C(C=CC=1OC)S(N)(=O)=O,2600.0,4.0,2.0,0.0,341.4330000000001,15.0,4.0,CCN1CCCC1CNC(=O)C1C=C(C=CC=1OC)S(N)(=O)=O,3.4149733479708178,Levosulpiride
CCN1CCCC2C=CC=CC1=2,1777.0,4.0,2.0,0.0,161.248,11.0,0.0,CCN1CCCC2C=CC=CC1=2,3.2496874278053016,"1-Ethyl-1,2,3,4-tetrahydroquinoline"
CCN1CCCCC1,280.0,2.0,2.0,0.0,113.204,7.0,0.0,CCN1CCCCC1,2.4471580313422194,"Piperidine, 1-ethyl-"
CCN1CCN(C(=O)C1=O)C(=O)NC(C1C=CC=CC=1)C(=O)NC1C2SC(C)(C)C(C(O)=O)N2C1=O,10000.0,3.0,1.0,1.0,517.5640000000003,23.0,7.0,CCN1CCN(C(=O)C1=O)C(=O)NC(C1C=CC=CC=1)C(=O)NC1C2SC(C)(C)C(C(O)=O)N2C1=O,4.0,Piperacillin sodium salt
CCN1CCN(CC1)C1=CC2=C(C=C1F)C(=O)C(=CN2C1CC1)C(O)=O,7500.0,4.0,2.0,0.0,359.4010000000001,19.0,3.0,CCN1CCN(CC1)C1=CC2=C(C=C1F)C(=O)C(=CN2C1CC1)C(O)=O,3.8750612633917,Enrofloxacin
CCN1CCNCC1,2158.0,2.0,2.0,0.0,114.192,6.0,0.0,CCN1CCNCC1,3.334051440346892,"Piperazine, 1-ethyl-"
CCN1CCOCC1,1758.0,2.0,2.0,0.0,115.176,6.0,1.0,CCN1CCOCC1,3.245018870737753,N-Ethylmorpholine
CCN1CN(CN(C1)CC)CC,316.0,4.0,2.0,0.0,171.28799999999995,9.0,0.0,CCN1CN(CN(C1)CC)CC,2.499687082618404,"1,3,5-Triethylhexahydro-s-triazine"
CCN1CN(CO)C(=O)N(C1)CO,8220.0,3.0,2.0,0.0,189.21499999999995,7.0,3.0,CCN1CN(CO)C(=O)N(C1)CO,3.9148718175400505,"1,3,5-Triazin-2(1H)-one, 5-ethyltetrahydro-1,3-bis(hydroxymethyl)-"
CCN1N=C(C(=O)C2=CC3OCOC=3C=C12)C(O)=O,3610.0,4.0,3.0,0.0,262.22099999999995,12.0,5.0,CCN1N=C(C(=O)C2=CC3OCOC=3C=C12)C(O)=O,3.5575072019056577,Cinoxacin
CCN1N=NN=C1CSCCC(N)=O,500.0,4.0,2.0,0.0,215.28199999999995,7.0,1.0,CCN1N=NN=C1CSCCC(N)=O,2.6989700043360187,"Propanamide, 3-(((1-ethyl-1H-tetrazol-5-yl)methyl)thio)-"
CCN=C1SC(C)(C)C(=NOC(=O)NC)S1,6.3,4.0,3.0,0.0,261.37199999999996,9.0,2.0,CCN=C1SC(C)(C)C(=NOC(=O)NC)S1,0.7993405494535817,
CCN=C=NCCCN(C)C,500.0,3.0,1.0,0.0,155.245,8.0,0.0,CCN=C=NCCCN(C)C,2.6989700043360187,1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide hydrochloride
CCN=O,740.0,1.0,2.0,0.0,59.068,2.0,1.0,CCN=O,2.8692317197309762,Acetaldehyde oxime
CCNC,1100.0,1.0,2.0,0.0,59.111999999999995,3.0,0.0,CCNC,3.041392685158225,"Ethanamine, N-methyl-, hydrochloride (1:1)"
CCNC(=O)C(C)OC(=O)NC1C=CC=CC=1,10001.0,4.0,2.0,0.0,236.271,12.0,3.0,CCNC(=O)C(C)OC(=O)NC1C=CC=CC=1,4.000043427276863,Carbetamide
CCNC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CO)NC(=O)C(CC1=CNC2C=CC=CC=21)NC(=O)C(CC1=CN=CN1)NC(=O)C1CCC(=O)N1,7500.0,0.0,1.0,3.0,1209.4210000000005,59.0,12.0,CCNC(=O)C1CCCN1C(=O)C(CCCNC(N)=N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=C(O)C=C1)NC(=O)C(CO)NC(=O)C(CC1=CNC2C=CC=CC=21)NC(=O)C(CC1=CN=CN1)NC(=O)C1CCC(=O)N1,3.8750612633917,Leuprolide acetate salt
CCNC(=O)C=CC1C=C(Br)C=CC=1,4437.0,4.0,3.0,0.0,254.127,11.0,1.0,CCNC(=O)C=CC1C=C(Br)C=CC=1,3.647089428716555,Cinromide
CCNC(=O)CSP(=S)(OC)OC,206.0,4.0,1.0,0.0,243.28999999999996,6.0,3.0,CCNC(=O)CSP(=S)(OC)OC,2.3138672203691533,Ethoate-methyl
CCNC(=O)NC(=O)C(C#N)=NOC,1030.0,3.0,2.0,0.0,198.182,7.0,3.0,CCNC(=O)NC(=O)C(C#N)=NOC,3.012837224705172,Cymoxanil
CCNC(=O)NC1=NC=C(S1)[N+]([O-])=O,2150.0,4.0,2.0,0.0,216.222,6.0,3.0,CCNC(=O)NC1=NC=C(S1)[N+]([O-])=O,3.3324384599156054,Nithiazide
CCNC(=O)NCC1=CC(Cl)=CC=C1,4000.0,4.0,2.0,0.0,212.68,10.0,1.0,CCNC(=O)NCC1=CC(Cl)=CC=C1,3.6020599913279625,Lozilurea
CCNC(=S)NCC,316.0,2.0,2.0,0.0,132.232,5.0,0.0,CCNC(=S)NCC,2.499687082618404,"N,N'-Diethylthiourea"
CCNC(=S)OC(C)C,341.75,3.0,2.0,0.0,147.243,6.0,1.0,CCNC(=S)OC(C)C,2.5337085232398597,"Carbamothioic acid, ethyl-, O-(1-methylethyl) ester"
CCNC(C)CC1=CC(=CC=C1)C(F)(F)F,130.0,4.0,2.0,0.0,231.26099999999997,12.0,0.0,CCNC(C)CC1=CC(=CC=C1)C(F)(F)F,2.113943352306837,Fenfluramine
CCNC(N)=S,100.0,1.0,2.0,0.0,104.178,3.0,0.0,CCNC(N)=S,2.0,Ethylthiourea
CCNC1=CC=C(C(C2C=CC(=CC=2)N(C)C)=C2C=CC(C=C2)=[N+](C)C)C2C=CC=CC=21,960.0,2.0,0.0,1.0,422.5960000000001,29.0,0.0,CCNC1=CC=C(C(C2C=CC(=CC=2)N(C)C)=C2C=CC(C=C2)=[N+](C)C)C2C=CC=CC=21,2.9822712330395684,"Methanaminium, N-[4-[[4-(dimethylamino)phenyl][4-(ethylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, chloride (1:1)"
CCNC1=NC(Cl)=NC(NCC)=N1,5243.0,4.0,2.0,0.0,201.661,7.0,0.0,CCNC1=NC(Cl)=NC(NCC)=N1,3.719579857713723,Simazine
CCNC1C=C(C#N)C(N)=C2C=1C(=O)C1C=CC=CC=1C2=O,5500.0,4.0,3.0,0.0,291.31,17.0,2.0,CCNC1C=C(C#N)C(N)=C2C=1C(=O)C1C=CC=CC=1C2=O,3.7403626894942437,"2-Anthracenecarbonitrile, 1-amino-4-(ethylamino)-9,10-dihydro-9,10-dioxo-"
CCNC1C=CC=CC=1,622.0,3.0,2.0,0.0,121.18299999999996,8.0,0.0,CCNC1C=CC=CC=1,2.7937903846908188,"Benzenamine, N-ethyl-, hydrochloride"
CCNC1CCCCC1,645.0,3.0,2.0,0.0,127.231,8.0,0.0,CCNC1CCCCC1,2.8095597146352675,N-Ethylcyclohexylamine
CCNC1N=C(Cl)N=C(NC(C)(C)C#N)N=1,258.0,4.0,2.0,0.0,240.698,9.0,0.0,CCNC1N=C(Cl)N=C(NC(C)(C)C#N)N=1,2.41161970596323,Cyanazine
CCNC1N=C(Cl)N=C(NC(C)(C)C)N=1,1590.0,4.0,2.0,0.0,229.715,9.0,0.0,CCNC1N=C(Cl)N=C(NC(C)(C)C)N=1,3.2013971243204513,Terbuthylazine
CCNC1N=C(Cl)N=C(NC(C)C)N=1,2019.0,4.0,2.0,0.0,215.688,8.0,0.0,CCNC1N=C(Cl)N=C(NC(C)C)N=1,3.305136318943639,Atrazine
CCNC1N=C(N=C(Cl)N=1)N(CC)CC,594.0,4.0,1.0,0.0,229.71499999999995,9.0,0.0,CCNC1N=C(N=C(Cl)N=1)N(CC)CC,2.7737864449811935,Trietazine
CCNC1N=C(N=C(NC(C)C)N=1)OC,1465.0,4.0,1.0,0.0,211.269,9.0,1.0,CCNC1N=C(N=C(NC(C)C)N=1)OC,3.1658376246901283,Atraton
CCNC1N=C(NC(C)(C)C)N=C(N=1)OC,433.0,4.0,2.0,0.0,225.296,10.0,1.0,CCNC1N=C(NC(C)(C)C)N=C(N=1)OC,2.6364878963533656,Terbumeton
CCNC1N=C(NC(C)(C)C)N=C(N=1)SC,2260.0,4.0,2.0,0.0,241.364,10.0,0.0,CCNC1N=C(NC(C)(C)C)N=C(N=1)SC,3.3541084391474008,Terbutryn
CCNC1N=C(NC(C)C)N=C(N=1)SC,1283.0,4.0,1.0,0.0,227.337,9.0,0.0,CCNC1N=C(NC(C)C)N=C(N=1)SC,3.1082266563749283,Ametryn
CCNC1N=C(NC2=CC(=C(C=C2)C=CC2=CC=C(C=C2S(O)(=O)=O)NC2N=C(NC3C=CC=CC=3)N=C(NCC)N=2)S(O)(=O)=O)N=C(NC2C=CC=CC=2)N=1,7500.0,0.0,0.0,4.0,796.8960000000004,36.0,6.0,CCNC1N=C(NC2=CC(=C(C=C2)C=CC2=CC=C(C=C2S(O)(=O)=O)NC2N=C(NC3C=CC=CC=3)N=C(NCC)N=2)S(O)(=O)=O)N=C(NC2C=CC=CC=2)N=1,3.8750612633917,C.I. Fluorescent Brightener 208
CCNCC,2928.5,1.0,2.0,0.0,73.139,4.0,0.0,CCNCC,3.466645228363979,"Ethanamine, N-ethyl-, methanesulfonate (1:1)"
CCNCC(C)=C,50.0,2.0,2.0,0.0,99.17699999999998,6.0,0.0,CCNCC(C)=C,1.6989700043360187,N-Ethyl-2-methyl-2-propen-1-amine
CCNCC(O)C1C=C(O)C=CC=1,114.0,4.0,2.0,0.0,181.235,10.0,2.0,CCNCC(O)C1C=C(O)C=CC=1,2.0569048513364727,Etilefrine hydrochloride
CCNCC1=CC(=CC=C1O)[N+]([O-])=O,1014.0,4.0,2.0,0.0,196.206,9.0,3.0,CCNCC1=CC(=CC=C1O)[N+]([O-])=O,3.0060379549973173,"Phenol, 2-[(ethylamino)methyl]-4-nitro-"
CCNCCC,496.0,1.0,2.0,0.0,87.166,5.0,0.0,CCNCCC,2.6954816764901977,"1-Propanamine, N-ethyl-"
CCNCCO,1158.0,0.0,2.0,0.0,89.13799999999999,4.0,1.0,CCNCCO,3.0637085593914173,2-(Ethylamino)ethanol
CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,543.0,3.0,0.0,1.0,527.196,10.0,2.0,CCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,2.734799829588847,Sulfluramid
CCO,4832.0,1.0,2.0,0.0,46.069,2.0,1.0,CCO,3.6841269256130755,Potassium ethoxide
CCO/C(/O)=N/C1=CC=CC2C(CN(C)CC=21)C1C=CC(Cl)=CC=1,665.0,4.0,2.0,0.0,344.842,19.0,2.0,CCO/C(/O)=N/C1=CC=CC2C(CN(C)CC=21)C1C=CC(Cl)=CC=1,2.8228216453031045,
CCO/C(/O)=N/C1CN(CCC1)C1NC(=N)C2=CC(OC)=C(C=C2N=1)OC,1000.0,4.0,1.0,0.0,375.4290000000001,18.0,4.0,CCO/C(/O)=N/C1CN(CCC1)C1NC(=N)C2=CC(OC)=C(C=C2N=1)OC,3.0,
CCOB(OCC)OCC,3500.0,3.0,1.0,0.0,145.99499999999998,6.0,3.0,CCOB(OCC)OCC,3.5440680443502757,Triethyl borate
CCOC(/C(/NCCC)=N/CCC)C1C=CC(Cl)=CC=1,47.0,4.0,1.0,0.0,296.842,16.0,1.0,CCOC(/C(/NCCC)=N/CCC)C1C=CC(Cl)=CC=1,1.6720978579357175,
CCOC(=C)C1C(C)(C)CC(=O)CC1(C)C,4251.0,4.0,0.0,0.0,224.3439999999999,14.0,2.0,CCOC(=C)C1C(C)(C)CC(=O)CC1(C)C,3.628491104967123,"4-(1-Ethoxyethenyl)-3,3,5,5-tetramethylcyclohexanone"
CCOC(=N)C1SC2C=CC=CC=2C1=O,4000.0,4.0,2.0,0.0,221.281,11.0,2.0,CCOC(=N)C1SC2C=CC=CC=2C1=O,3.6020599913279625,
CCOC(=O)C(=C)C#N,5686.0,1.0,2.0,0.0,125.12699999999998,6.0,2.0,CCOC(=O)C(=C)C#N,3.754806855354423,Ethyl cyanoacrylate
CCOC(=O)C(=CC1C=CC(C=C(C(=O)OCC)C(=O)OCC)=CC=1)C(=O)OCC,3500.0,4.0,1.0,0.0,418.44200000000023,22.0,8.0,CCOC(=O)C(=CC1C=CC(C=C(C(=O)OCC)C(=O)OCC)=CC=1)C(=O)OCC,3.5440680443502757,"Propanedioic acid, 2,2'-(1,4-phenylenedimethylidyne)bis-, tetraethyl ester"
CCOC(=O)C(=O)NC1=CC(Cl)=NC=N1,1600.0,4.0,2.0,0.0,229.623,8.0,3.0,CCOC(=O)C(=O)NC1=CC(Cl)=NC=N1,3.2041199826559246,"Acetic acid, ((6-chloro-4-pyrimidinyl)amino)oxo-, ethyl ester"
CCOC(=O)C(Br)CBr,240.0,3.0,3.0,0.0,259.92499999999995,5.0,2.0,CCOC(=O)C(Br)CBr,2.380211241711606,CERAPP_57235
CCOC(=O)C(C#N)=C(C1C=CC=CC=1)C1C=CC=CC=1,10001.0,4.0,2.0,0.0,277.32300000000004,18.0,2.0,CCOC(=O)C(C#N)=C(C1C=CC=CC=1)C1C=CC=CC=1,4.000043427276863,"Ethyl 2-cyano-3,3-diphenylacrylate"
CCOC(=O)C(C)(C)Br,2751.0,3.0,2.0,0.0,195.056,6.0,2.0,CCOC(=O)C(C)(C)Br,3.4394905903896835,Ethyl 2-bromoisobutyrate
CCOC(=O)C(C)Br,439.0,2.0,2.0,0.0,181.029,5.0,2.0,CCOC(=O)C(C)Br,2.6424645202421213,CERAPP_61415
CCOC(=O)C(C)C,7500.0,2.0,2.0,0.0,116.15999999999998,6.0,2.0,CCOC(=O)C(C)C,3.8750612633917,Ethyl isobutyrate
CCOC(=O)C(C)CCC,1818.0,3.0,2.0,0.0,144.21399999999997,8.0,2.0,CCOC(=O)C(C)CCC,3.2595938788859486,Ethyl 2-methylpentanoate
CCOC(=O)C(C)NC1=CC(Cl)=C(Cl)C=C1,3500.0,4.0,3.0,0.0,262.13599999999997,11.0,2.0,CCOC(=O)C(C)NC1=CC(Cl)=C(Cl)C=C1,3.5440680443502757,
CCOC(=O)C(C)O,8200.0,1.0,2.0,0.0,118.13199999999998,5.0,3.0,CCOC(=O)C(C)O,3.9138138523837167,Ethyl lactate
CCOC(=O)C(C)OC(=O)C1C=C(C=CC=1[N+]([O-])=O)OC1C=CC(=CC=1Cl)C(F)(F)F,2751.0,4.0,0.0,1.0,461.77600000000007,19.0,7.0,CCOC(=O)C(C)OC(=O)C1C=C(C=CC=1[N+]([O-])=O)OC1C=CC(=CC=1Cl)C(F)(F)F,3.4394905903896835,Lactofen
CCOC(=O)C(C)OC1C=CC(=CC=1)OC1=CN=C2C=C(Cl)C=CC2=N1,1182.0,4.0,0.0,0.0,372.8080000000001,19.0,4.0,CCOC(=O)C(C)OC1C=CC(=CC=1)OC1=CN=C2C=C(Cl)C=CC2=N1,3.0726174765452368,Quizalofop-P-ethyl
CCOC(=O)C(C1C(=O)C2C=CC=CC=2OC1=O)C1C(=O)C2C=CC=CC=2OC1=O,840.0,4.0,2.0,0.0,408.36200000000014,22.0,8.0,CCOC(=O)C(C1C(=O)C2C=CC=CC=2OC1=O)C1C(=O)C2C=CC=CC=2OC1=O,2.9242792860618816,Ethyl biscoumacetate
CCOC(=O)C(CC(=O)OCC)SP(=O)(OC)OC,158.0,4.0,2.0,0.0,314.29600000000005,10.0,7.0,CCOC(=O)C(CC(=O)OCC)SP(=O)(OC)OC,2.1986570869544226,Malaoxon
CCOC(=O)C(CC(=O)OCC)SP(=S)(OC)OC,1436.75,4.0,2.0,0.0,330.3640000000001,10.0,6.0,CCOC(=O)C(CC(=O)OCC)SP(=S)(OC)OC,3.157381205805735,Malathion
CCOC(=O)C(CCC1C=CC=CC=1)NC1CCC2=CC=CC=C2N(CC(O)=O)C1=O,7500.0,4.0,1.0,0.0,424.49700000000024,24.0,5.0,CCOC(=O)C(CCC1C=CC=CC=1)NC1CCC2=CC=CC=C2N(CC(O)=O)C1=O,3.8750612633917,Benazepril hydrochloride
CCOC(=O)C(CCC1C=CC=CC=1)NC1CSC(CN(CC(O)=O)C1=O)C1=CC=CS1,7500.0,4.0,1.0,0.0,476.6200000000003,23.0,5.0,CCOC(=O)C(CCC1C=CC=CC=1)NC1CSC(CN(CC(O)=O)C1=O)C1=CC=CS1,3.8750612633917,Temocapril hydrochloride
CCOC(=O)C(CCCNC(N)=N)NC(=O)CCCCCCCCCCC,3500.0,4.0,1.0,0.0,384.5650000000001,20.0,3.0,CCOC(=O)C(CCCNC(N)=N)NC(=O)CCCCCCCCCCC,3.5440680443502757,Ethyl lauroyl arginate hydrochloride
CCOC(=O)C(CCN(CC)CC)(CC=C)C1C=CC=CC=1,200.0,4.0,1.0,0.0,303.44599999999997,19.0,2.0,CCOC(=O)C(CCN(CC)CC)(CC=C)C1C=CC=CC=1,2.3010299956639813,
CCOC(=O)C(Cl)(Cl)Cl,2751.0,2.0,2.0,0.0,191.441,4.0,2.0,CCOC(=O)C(Cl)(Cl)Cl,3.4394905903896835,"Acetic acid, trichloro-, ethyl ester"
CCOC(=O)C(Cl)=CC1C=C(C=CC=1Cl)N1C(=O)C2CCCCC=2C1=O,2200.0,4.0,1.0,0.0,394.25400000000013,19.0,4.0,CCOC(=O)C(Cl)=CC1C=C(C=CC=1Cl)N1C(=O)C2CCCCC=2C1=O,3.342422680822206,Cinidon-ethyl
CCOC(=O)C(Cl)C(=O)OCC,400.0,4.0,2.0,0.0,194.614,7.0,4.0,CCOC(=O)C(Cl)C(=O)OCC,2.6020599913279625,Diethyl chloromalonate
CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)OCC,7500.0,4.0,2.0,0.0,296.163,9.0,4.0,CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(=O)OCC,3.8750612633917,"Pentanedioic acid, hexafluoro-, diethyl ester"
CCOC(=O)C(F)(F)F,5630.0,1.0,2.0,0.0,142.076,4.0,2.0,CCOC(=O)C(F)(F)F,3.7505083948513462,Ethyl trifluoroacetate
CCOC(=O)C(F)F,2751.0,1.0,2.0,0.0,124.086,4.0,2.0,CCOC(=O)C(F)F,3.4394905903896835,"Acetic acid, difluoro-, ethyl ester"
CCOC(=O)C(N)CS,7500.0,2.0,2.0,0.0,149.215,5.0,2.0,CCOC(=O)C(N)CS,3.8750612633917,Ethyl L-cysteinate
CCOC(=O)C(O)(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1,1085.0,4.0,2.0,0.0,325.19100000000003,16.0,3.0,CCOC(=O)C(O)(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1,3.0354297381845483,Chlorobenzilate
CCOC(=O)C(O)(CC(=O)OCC)CC(=O)OCC,5963.0,4.0,2.0,0.0,276.28499999999997,12.0,7.0,CCOC(=O)C(O)(CC(=O)OCC)CC(=O)OCC,3.7754648093457392,Triethyl citrate
CCOC(=O)C(O)C(O)C(=O)OCC,3500.0,3.0,1.0,0.0,206.19399999999996,8.0,6.0,CCOC(=O)C(O)C(O)C(=O)OCC,3.5440680443502757,Diethyl L-tartrate
CCOC(=O)C(OCC)OCC,10001.0,4.0,1.0,0.0,176.21199999999996,8.0,4.0,CCOC(=O)C(OCC)OCC,4.000043427276863,"Acetic acid, diethoxy-, ethyl ester"
CCOC(=O)C(SP(=O)(OC)OC)C1C=CC=CC=1,63.0,4.0,2.0,0.0,304.304,12.0,5.0,CCOC(=O)C(SP(=O)(OC)OC)C1C=CC=CC=1,1.7993405494535817,
CCOC(=O)C(SP(=S)(OC)OC)C1C=CC=CC=1,107.925,4.0,1.0,0.0,320.37199999999996,12.0,4.0,CCOC(=O)C(SP(=S)(OC)OC)C1C=CC=CC=1,2.0331220573283053,Phenthoate
CCOC(=O)C1(C)CC(=NN1C1C=CC(Cl)=CC=1Cl)C(=O)OCC,7500.0,4.0,1.0,0.0,373.2360000000002,16.0,4.0,CCOC(=O)C1(C)CC(=NN1C1C=CC(Cl)=CC=1Cl)C(=O)OCC,3.8750612633917,Mefenpyr-diethyl
CCOC(=O)C1(CCCCC1)OC(=O)CC1C=CC(Cl)=CC=1Cl,3125.0,4.0,1.0,0.0,359.2490000000002,17.0,4.0,CCOC(=O)C1(CCCCC1)OC(=O)CC1C=CC(Cl)=CC=1Cl,3.494850021680094,"ethyl 1-[2-(2,4-dichlorophenyl)acetoxy]cyclohexanecarboxylate"
CCOC(=O)C1(CCCCCCOC2C=CC(Cl)=CC=2)CO1,250.0,4.0,1.0,0.0,326.82000000000005,17.0,4.0,CCOC(=O)C1(CCCCCCOC2C=CC(Cl)=CC=2)CO1,2.3979400086720375,
CCOC(=O)C1(CCCN(C)CC1)C1C=CC=CC=1,355.0,4.0,3.0,0.0,261.36499999999995,16.0,2.0,CCOC(=O)C1(CCCN(C)CC1)C1C=CC=CC=1,2.550228353055094,Ethoheptazine
CCOC(=O)C1(CCN(C)CC1)C1C=CC=CC=1,166.0,4.0,2.0,0.0,247.3379999999999,15.0,2.0,CCOC(=O)C1(CCN(C)CC1)C1C=CC=CC=1,2.220108088040055,Meperidine
CCOC(=O)C1(CCN(CCC(C#N)(C2C=CC=CC=2)C2C=CC=CC=2)CC1)C1C=CC=CC=1,221.0,3.0,0.0,1.0,452.5980000000001,30.0,2.0,CCOC(=O)C1(CCN(CCC(C#N)(C2C=CC=CC=2)C2C=CC=CC=2)CC1)C1C=CC=CC=1,2.3443922736851106,Diphenoxylate
CCOC(=O)C1(CCN(CCC2C=CC(N)=CC=2)CC1)C1C=CC=CC=1,175.0,4.0,1.0,0.0,352.47800000000007,22.0,2.0,CCOC(=O)C1(CCN(CCC2C=CC(N)=CC=2)CC1)C1C=CC=CC=1,2.2430380486862944,Anileridine dihydrochloride
CCOC(=O)C1=C(C)C=C2C(CO)N=NC(=O)C2=C1C,1750.0,4.0,3.0,0.0,276.29200000000003,14.0,4.0,CCOC(=O)C1=C(C)C=C2C(CO)N=NC(=O)C2=C1C,3.2430380486862944,Phthalazinol
CCOC(=O)C1=C(N)SC2CN(CC3C=CC=CC=3)CCC=21,5600.5,4.0,3.0,0.0,316.426,17.0,2.0,CCOC(=O)C1=C(N)SC2CN(CC3C=CC=CC=3)CCC=21,3.748226801568246,Tinoridine
CCOC(=O)C1=CC(=O)C2C(=CC=CC=2O1)OCC(O)COC1=CC=CC2OC(=CC(=O)C=21)C(=O)OCC,3000.0,2.0,1.0,3.0,524.4780000000003,27.0,11.0,CCOC(=O)C1=CC(=O)C2C(=CC=CC=2O1)OCC(O)COC1=CC=CC2OC(=CC(=O)C=21)C(=O)OCC,3.4771212547196626,Cromophene
CCOC(=O)C1=CC(Cl)=C(OC(=O)OCCCCCCCCCCCCCCCC)C(Cl)=C1,6251.0,0.0,0.0,2.0,503.5070000000002,26.0,5.0,CCOC(=O)C1=CC(Cl)=C(OC(=O)OCCCCCCCCCCCCCCCC)C(Cl)=C1,3.7959494989028033,"Benzoic acid, 3,5-dichloro-4-[[(hexadecyloxy)carbonyl]oxy]-, ethyl ester"
CCOC(=O)C1=CC2=C(C=C1)SC1=CC=CC=C1C2=O,7500.0,4.0,2.0,0.0,284.336,16.0,3.0,CCOC(=O)C1=CC2=C(C=C1)SC1=CC=CC=C1C2=O,3.8750612633917,Ethyl 9-oxo-9H-thioxanthene-2-carboxylate
CCOC(=O)C1=CC2=C(C=CC3=CC=CC=C32)OC1=O,1580.0,4.0,3.0,0.0,268.26800000000003,16.0,4.0,CCOC(=O)C1=CC2=C(C=CC3=CC=CC=C32)OC1=O,3.1986570869544226,"3H-Naphtho[2,1-b]pyran-2-carboxylic acid, 3-oxo-, ethyl ester"
CCOC(=O)C1=CC2NC(=NC=2C=C1)C(F)(F)F,40.0,4.0,3.0,0.0,258.19899999999996,11.0,2.0,CCOC(=O)C1=CC2NC(=NC=2C=C1)C(F)(F)F,1.6020599913279623,"Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, ethyl ester"
CCOC(=O)C1=CC=C(C=C1)[N+]([O-])=O,2660.0,4.0,2.0,0.0,195.174,9.0,4.0,CCOC(=O)C1=CC=C(C=C1)[N+]([O-])=O,3.424881636631067,Ethyl 4-nitrobenzoate
CCOC(=O)C1=CC=CC=C1C(=O)OCC,8975.0,4.0,2.0,0.0,222.23999999999995,12.0,4.0,CCOC(=O)C1=CC=CC=C1C(=O)OCC,3.953034457250357,Diethyl phthalate
CCOC(=O)C1=CC=CC=C1C1=C2C=CC(=CC2=[O+]C2C=C(C=CC=21)N(CC)CC)N(CC)CC,175.0,2.0,0.0,1.0,471.6210000000003,30.0,3.0,CCOC(=O)C1=CC=CC=C1C1=C2C=CC(=CC2=[O+]C2C=C(C=CC=21)N(CC)CC)N(CC)CC,2.2430380486862944,"Xanthylium, 3,6-bis(diethylamino)-9-[2-(ethoxycarbonyl)phenyl]"
CCOC(=O)C1=CC=CC=C1OC(N)=O,2500.0,4.0,2.0,0.0,209.20099999999996,10.0,4.0,CCOC(=O)C1=CC=CC=C1OC(N)=O,3.3979400086720375,Ethyl 2-carbamoyloxybenzoate
CCOC(=O)C1C(=O)C2C=CC=CC=2S(=O)(=O)N1C,4800.0,4.0,3.0,0.0,283.305,12.0,5.0,CCOC(=O)C1C(=O)C2C=CC=CC=2S(=O)(=O)N1C,3.681241237375587,"4-Hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylic acid ethylester 1,1-dioxide"
CCOC(=O)C1C=C(Cl)C=CC=1OC(N)=O,2500.0,4.0,2.0,0.0,243.646,10.0,4.0,CCOC(=O)C1C=C(Cl)C=CC=1OC(N)=O,3.3979400086720375,"Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, ethyl ester"
CCOC(=O)C1C=CC(=CC=1)N(C)C,3500.0,4.0,2.0,0.0,193.246,11.0,2.0,CCOC(=O)C1C=CC(=CC=1)N(C)C,3.5440680443502757,Parbenate
CCOC(=O)C1C=CC(=CC=1)N=CN(C)C1C=CC=CC=1,3500.0,4.0,2.0,0.0,282.343,17.0,2.0,CCOC(=O)C1C=CC(=CC=1)N=CN(C)C1C=CC=CC=1,3.5440680443502757,"Benzoic acid, 4-[[(methylphenylamino)methylene]amino]-, ethyl ester"
CCOC(=O)C1C=CC(=CC=1)OC(=O)CCCCCNC(N)=N,6480.0,4.0,2.0,0.0,321.37699999999995,16.0,4.0,CCOC(=O)C1C=CC(=CC=1)OC(=O)CCCCCNC(N)=N,3.8115750058705933,Gabexate
CCOC(=O)C1C=CC(N)=CC=1,3042.0,4.0,2.0,0.0,165.19199999999998,9.0,2.0,CCOC(=O)C1C=CC(N)=CC=1,3.4831592097169795,Benzocaine hydrochloride
CCOC(=O)C1C=CC(O)=C(O)C=1,3500.0,4.0,2.0,0.0,182.175,9.0,4.0,CCOC(=O)C1C=CC(O)=C(O)C=1,3.5440680443502757,Ethyl protocatechuate
CCOC(=O)C1C=CC(O)=CC=1,3684.0,4.0,2.0,0.0,166.176,9.0,3.0,CCOC(=O)C1C=CC(O)=CC=1,3.566319621524811,Potassium ethylparaben
CCOC(=O)C1C=CC=CC=1,2100.0,3.0,2.0,0.0,150.177,9.0,2.0,CCOC(=O)C1C=CC=CC=1,3.322219294733919,Ethyl benzoate
CCOC(=O)C1C=CC=CC=1N,3750.0,4.0,2.0,0.0,165.19199999999998,9.0,2.0,CCOC(=O)C1C=CC=CC=1N,3.574031267727719,Ethyl anthranilate
CCOC(=O)C1C=CC=CC=1O,1320.0,4.0,2.0,0.0,166.176,9.0,3.0,CCOC(=O)C1C=CC=CC=1O,3.12057393120585,Ethyl salicylate
CCOC(=O)C1C=NN(C)C=1S(=O)(=O)NC(=O)NC1N=C(C=C(N=1)OC)OC,7500.0,4.0,1.0,2.0,414.4000000000002,14.0,7.0,CCOC(=O)C1C=NN(C)C=1S(=O)(=O)NC(=O)NC1N=C(C=C(N=1)OC)OC,3.8750612633917,Pyrazosulfuron-ethyl
CCOC(=O)C1C=NN(C=1N)C1C=CC=CC=1,500.0,4.0,2.0,0.0,231.255,12.0,2.0,CCOC(=O)C1C=NN(C=1N)C1C=CC=CC=1,2.6989700043360187,"1H-Pyrazole-4-carboxylic acid, 5-amino-1-phenyl-, ethyl ester"
CCOC(=O)C1CC(=O)C(C(=O)C2CC2)C(=O)C1,4460.0,4.0,3.0,0.0,252.2659999999999,13.0,5.0,CCOC(=O)C1CC(=O)C(C(=O)C2CC2)C(=O)C1,3.649334858712142,Trinexapac-ethyl
CCOC(=O)C1CC(=O)N(N=1)C1C=CC=CC=1,3500.0,4.0,2.0,0.0,232.239,12.0,3.0,CCOC(=O)C1CC(=O)N(N=1)C1C=CC=CC=1,3.5440680443502757,"Ethyl 5-oxo-1-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate"
CCOC(=O)C1CC(ON=1)(C1C=CC=CC=1)C1C=CC=CC=1,1740.0,4.0,3.0,0.0,295.3380000000001,18.0,3.0,CCOC(=O)C1CC(ON=1)(C1C=CC=CC=1)C1C=CC=CC=1,3.2405492482826,Isoxadifen-ethyl
CCOC(=O)C1CCC(CC1)C(=O)OCC,2751.0,4.0,2.0,0.0,228.28799999999993,12.0,4.0,CCOC(=O)C1CCC(CC1)C(=O)OCC,3.4394905903896835,"Diethyl 1,4-cyclohexanedicarboxylate"
CCOC(=O)C1CCCCC1,3962.0,3.0,2.0,0.0,156.22499999999997,9.0,2.0,CCOC(=O)C1CCCCC1,3.5979144712025284,"Cyclohexanecarboxylic acid, ethyl ester"
CCOC(=O)C1CCNCC1,7500.0,3.0,2.0,0.0,157.21299999999997,8.0,2.0,CCOC(=O)C1CCNCC1,3.8750612633917,Ethyl 4-piperidinecarboxylate
CCOC(=O)C1N=C(N(N=1)C1C=CC(Cl)=CC=1Cl)C(Cl)(Cl)Cl,7500.0,4.0,1.0,0.0,403.4800000000001,12.0,2.0,CCOC(=O)C1N=C(N(N=1)C1C=CC(Cl)=CC=1Cl)C(Cl)(Cl)Cl,3.8750612633917,Fenchlorazole-ethyl
CCOC(=O)C1OC1C1C=CC=CC=1,2300.0,4.0,2.0,0.0,192.214,11.0,3.0,CCOC(=O)C1OC1C1C=CC=CC=1,3.361727836017593,Ethyl 3-phenylglycidate
CCOC(=O)C=C,708.0,1.0,2.0,0.0,100.117,5.0,2.0,CCOC(=O)C=C,2.850033257689769,Ethyl acrylate
CCOC(=O)C=CC(=O)OCC,1780.0,4.0,2.0,0.0,172.17999999999995,8.0,4.0,CCOC(=O)C=CC(=O)OCC,3.250420002308894,Diethyl (2E)-but-2-enedioate
CCOC(=O)C=CC1C=CC=CC=1,4000.0,4.0,2.0,0.0,176.215,11.0,2.0,CCOC(=O)C=CC1C=CC=CC=1,3.6020599913279625,Ethyl cinnamate
CCOC(=O)C=CC=CC=CC=CC=CCCCCCCCCC,10001.0,3.0,1.0,1.0,330.51200000000017,22.0,2.0,CCOC(=O)C=CC=CC=CC=CC=CCCCCCCCCC,4.000043427276863,Eicosapentaenoic acid ethyl ester
CCOC(=O)C=CC=CCCCCC,6251.0,4.0,1.0,0.0,196.2899999999999,12.0,2.0,CCOC(=O)C=CC=CCCCCC,3.7959494989028033,"Ethyl (2E,4Z)-deca-2,4-dienoate"
CCOC(=O)C=CN(C)C,4500.0,2.0,2.0,0.0,143.18599999999998,7.0,2.0,CCOC(=O)C=CN(C)C,3.6532125137753435,
CCOC(=O)CC#N,2188.0,1.0,2.0,0.0,113.116,5.0,2.0,CCOC(=O)CC#N,3.340047317661393,Ethyl cyanoacetate
CCOC(=O)CC(=O)C(F)(F)F,855.0,2.0,2.0,0.0,184.11299999999997,6.0,3.0,CCOC(=O)CC(=O)C(F)(F)F,2.931966114728173,"Ethyl 4,4,4-trifluoroacetoacetate"
CCOC(=O)CC(=O)CCC,300.0,3.0,2.0,0.0,158.19699999999995,8.0,3.0,CCOC(=O)CC(=O)CCC,2.4771212547196626,Ethyl 3-oxohexanoate
CCOC(=O)CC(=O)CCl,200.0,2.0,2.0,0.0,164.588,6.0,3.0,CCOC(=O)CC(=O)CCl,2.3010299956639813,Ethyl 4-chloro-3-oxobutanoate
CCOC(=O)CC(=O)OC(Br)C(Cl)(Cl)Cl,2600.0,4.0,3.0,0.0,342.4,7.0,4.0,CCOC(=O)CC(=O)OC(Br)C(Cl)(Cl)Cl,3.4149733479708178,
CCOC(=O)CC(=O)OCC,10001.0,3.0,2.0,0.0,160.16899999999998,7.0,4.0,CCOC(=O)CC(=O)OCC,4.000043427276863,Diethyl propanedioate
CCOC(=O)CC(C)C,7500.0,2.0,2.0,0.0,130.18699999999998,7.0,2.0,CCOC(=O)CC(C)C,3.8750612633917,Ethyl isovalerate
CCOC(=O)CC(SP(C)(=S)SCCC)C(=O)OCC,693.0,4.0,0.0,0.0,358.4870000000002,12.0,4.0,CCOC(=O)CC(SP(C)(=S)SCCC)C(=O)OCC,2.8407332346118066,
CCOC(=O)CC1(C)OC(C)CO1,3500.0,4.0,2.0,0.0,188.223,9.0,4.0,CCOC(=O)CC1(C)OC(C)CO1,3.5440680443502757,"Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate"
CCOC(=O)CC1(C)OCCO1,7500.0,4.0,2.0,0.0,174.19599999999997,8.0,4.0,CCOC(=O)CC1(C)OCCO1,3.8750612633917,"1,3-Dioxolane-2-acetic acid, 2-methyl-, ethyl ester"
CCOC(=O)CC1=CC=CC2C=CC=CC=21,3580.0,4.0,2.0,0.0,214.264,14.0,2.0,CCOC(=O)CC1=CC=CC2C=CC=CC=21,3.5538830266438746,Ethyl 1-naphthaleneacetate
CCOC(=O)CC1C=CC(=CC=1)C1C=CC=CC=1,385.0,4.0,2.0,0.0,240.302,16.0,2.0,CCOC(=O)CC1C=CC(=CC=1)C1C=CC=CC=1,2.5854607295085006,Felbinac ethyl
CCOC(=O)CC1C=CC=CC=1,3300.0,4.0,2.0,0.0,164.204,10.0,2.0,CCOC(=O)CC1C=CC=CC=1,3.5185139398778875,Ethyl phenylacetate
CCOC(=O)CC1NN=C2C=CC(Cl)=CC2=1,4800.0,4.0,2.0,0.0,238.674,11.0,2.0,CCOC(=O)CC1NN=C2C=CC(Cl)=CC2=1,3.681241237375587,Ethychlozate
CCOC(=O)CCC,10001.0,2.0,2.0,0.0,116.15999999999998,6.0,2.0,CCOC(=O)CCC,4.000043427276863,Ethyl butyrate
CCOC(=O)CCC(=O)OCC,8530.0,4.0,2.0,0.0,174.19599999999997,8.0,4.0,CCOC(=O)CCC(=O)OCC,3.930949031167523,Diethyl butanedioate
CCOC(=O)CCCCC(=O)OCC,1600.0,4.0,1.0,0.0,202.24999999999997,10.0,4.0,CCOC(=O)CCCCC(=O)OCC,3.2041199826559246,Diethyl hexanedioate
CCOC(=O)CCCCCCC=CCC=CCC=CCC=CCC,10001.0,3.0,1.0,1.0,332.5280000000001,22.0,2.0,CCOC(=O)CCCCCCC=CCC=CCC=CCC=CCC,4.000043427276863,
CCOC(=O)CCCCCCCCC(=O)OCC,10001.0,4.0,2.0,0.0,258.3579999999999,14.0,4.0,CCOC(=O)CCCCCCCCC(=O)OCC,4.000043427276863,Diethyl decanedioate
CCOC(=O)CCCCCCCCC(C)C1C=CC(I)=CC=1,2100.0,3.0,0.0,1.0,416.343,19.0,2.0,CCOC(=O)CCCCCCCCC(C)C1C=CC(I)=CC=1,3.322219294733919,p-Iophendylate
CCOC(=O)CCCCCCCCC=C,7500.0,4.0,0.0,0.0,212.33299999999997,13.0,2.0,CCOC(=O)CCCCCCCCC=C,3.8750612633917,Ethyl undec-10-enoate
CCOC(=O)CCNC1=CC=CC=N1,6251.0,4.0,2.0,0.0,194.23400000000004,10.0,2.0,CCOC(=O)CCNC1=CC=CC=N1,3.7959494989028033,Ethyl 3-(pyridin-2-ylamino)propanoate
CCOC(=O)CCOCC,5053.0,2.0,2.0,0.0,146.18599999999998,7.0,3.0,CCOC(=O)CCOCC,3.7035492982382303,Ethyl 3-ethoxypropionate
CCOC(=O)CCl,194.0,1.0,2.0,0.0,122.551,4.0,2.0,CCOC(=O)CCl,2.287801729930226,Ethyl chloroacetate
CCOC(=O)CI,50.0,2.0,2.0,0.0,214.002,4.0,2.0,CCOC(=O)CI,1.6989700043360187,"Acetic acid, iodo-, ethyl ester"
CCOC(=O)CN(C)N=O,4000.0,2.0,2.0,0.0,146.146,5.0,3.0,CCOC(=O)CN(C)N=O,3.6020599913279625,N-Nitrososarcosine ethyl ester
CCOC(=O)CN1C2C(=CC=CC=2Cl)SC1=O,7500.0,4.0,3.0,0.0,271.7250000000001,11.0,3.0,CCOC(=O)CN1C2C(=CC=CC=2Cl)SC1=O,3.8750612633917,Benazolin-ethyl
CCOC(=O)CN=C=O,1130.0,1.0,2.0,0.0,129.115,5.0,3.0,CCOC(=O)CN=C=O,3.0530784434834195,"Acetic acid, isocyanato-, ethyl ester"
CCOC(=O)COC(=O)C1C=C(C=CC=1[N+]([O-])=O)OC1C=CC(=CC=1Cl)C(F)(F)F,1480.0,4.0,0.0,0.0,447.74900000000014,18.0,7.0,CCOC(=O)COC(=O)C1C=C(C=CC=1[N+]([O-])=O)OC1C=CC(=CC=1Cl)C(F)(F)F,3.1702617153949575,Fluoroglycofen-ethyl
CCOC(=O)COC1=CC2OC(=CC(=O)C=2C=C1)C1C=CC=CC=1,7500.0,4.0,3.0,0.0,324.33200000000005,19.0,5.0,CCOC(=O)COC1=CC2OC(=CC(=O)C=2C=C1)C1C=CC=CC=1,3.8750612633917,Efloxate
CCOC(=O)COC1C=C(C2=NN(C)C(OC(F)F)=C2Cl)C(F)=CC=1Cl,7500.0,4.0,0.0,0.0,413.1790000000001,15.0,4.0,CCOC(=O)COC1C=C(C2=NN(C)C(OC(F)F)=C2Cl)C(F)=CC=1Cl,3.8750612633917,Pyraflufen-ethyl
CCOC(=O)CP(=O)(OCC)OCC,2751.0,4.0,1.0,0.0,224.19299999999996,8.0,5.0,CCOC(=O)CP(=O)(OCC)OCC,3.4394905903896835,Triethyl phosphonoacetate
CCOC(=O)CS,178.0,1.0,2.0,0.0,120.173,4.0,2.0,CCOC(=O)CS,2.250420002308894,"Acetic acid,mercapto-,ethylester"
CCOC(=O)CSP(=O)(OCC)OCC,45.0,4.0,2.0,0.0,256.25999999999993,8.0,5.0,CCOC(=O)CSP(=O)(OCC)OCC,1.6532125137753437,Acetoxon
CCOC(=O)CSP(=S)(OCC)OCC,1100.0,4.0,2.0,0.0,272.328,8.0,4.0,CCOC(=O)CSP(=S)(OCC)OCC,3.041392685158225,Acethion
CCOC(=O)Cl,236.0,1.0,2.0,0.0,108.524,3.0,2.0,CCOC(=O)Cl,2.3729120029701067,Ethyl chloroformate
CCOC(=O)N(C)N=O,180.0,1.0,2.0,0.0,132.119,4.0,3.0,CCOC(=O)N(C)N=O,2.255272505103306,N-Nitroso-N-methylurethane
CCOC(=O)N(C1C=C(C=CC=1)C(=O)C1C=CC=CC=1)S(=O)(=O)C(F)(F)F,4700.0,4.0,1.0,0.0,401.362,17.0,5.0,CCOC(=O)N(C1C=C(C=CC=1)C(=O)C1C=CC=CC=1)S(=O)(=O)C(F)(F)F,3.6720978579357175,Triflumidate
CCOC(=O)N(C1C=CC=CC=1)C1C=CC=CC=1,4625.0,4.0,1.0,0.0,241.29,15.0,2.0,CCOC(=O)N(C1C=CC=CC=1)C1C=CC=CC=1,3.6651117370750512,Ethyl diphenylcarbamate
CCOC(=O)N1C(=O)C2=CC=CC=C2C1=O,3500.0,4.0,2.0,0.0,219.196,11.0,4.0,CCOC(=O)N1C(=O)C2=CC=CC=C2C1=O,3.5440680443502757,"2H-Isoindole-2-carboxylic acid, 1,3-dihydro-1,3-dioxo-, ethyl ester"
CCOC(=O)N1CCC(=O)CC1,1150.0,4.0,2.0,0.0,171.19599999999997,8.0,3.0,CCOC(=O)N1CCC(=O)CC1,3.060697840353612,Ethyl 4-oxo-1-piperidinecarboxylate
CCOC(=O)N1CCC(CC1)=C1C2N=CC=CC=2CCC2C=C(Cl)C=CC=21,7500.0,4.0,1.0,0.0,382.89100000000025,22.0,2.0,CCOC(=O)N1CCC(CC1)=C1C2N=CC=CC=2CCC2C=C(Cl)C=CC=21,3.8750612633917,Loratadine
CCOC(=O)NC(=S)NC1C=CC=CC=1NC(=S)NC(=O)OCC,10001.0,4.0,2.0,0.0,370.4560000000002,14.0,4.0,CCOC(=O)NC(=S)NC1C=CC=CC=1NC(=S)NC(=O)OCC,4.000043427276863,Thiophanate
CCOC(=O)NC1=CC=CO1,1985.0,2.0,2.0,0.0,155.153,7.0,3.0,CCOC(=O)NC1=CC=CO1,3.297760511099134,"2-Furancarbamic acid, ethyl ester"
CCOC(=O)NC1C=CC(NCC2=CC=C(F)C=C2)=NC=1N,1660.0,4.0,3.0,0.0,304.32500000000005,15.0,2.0,CCOC(=O)NC1C=CC(NCC2=CC=C(F)C=C2)=NC=1N,3.220108088040055,Flupirtine maleate
CCOC(=O)NC1C=CC2CCC3=CC=CC=C3N(C=2C=1)C(=O)CCN1CCOCC1,623.0,4.0,1.0,0.0,423.5130000000003,24.0,4.0,CCOC(=O)NC1C=CC2CCC3=CC=CC=C3N(C=2C=1)C(=O)CCN1CCOCC1,2.7944880466591697,"Carbamic acid, (10,11-dihydro-5-(3-(4-morpholinyl)-1-oxopropyl)-5H-dibenz(b,f)azepin-3-yl)-, ethyl ester, monohydrochloride"
CCOC(=O)NC1C=CC2SC3C=CC=CC=3N(C=2C=1)C(=O)CCN1CCOCC1,1000.0,4.0,1.0,0.0,427.52600000000024,22.0,4.0,CCOC(=O)NC1C=CC2SC3C=CC=CC=3N(C=2C=1)C(=O)CCN1CCOCC1,3.0,Moricizine hydrochloride
CCOC(=O)NC1C=CC=C(C=1)OC(=O)NC1C=CC=CC=1,8550.0,4.0,2.0,0.0,300.314,16.0,4.0,CCOC(=O)NC1C=CC=C(C=1)OC(=O)NC1C=CC=CC=1,3.931966114728173,Desmedipham
CCOC(=O)NCCOC1C=CC(=CC=1)OC1C=CC=CC=1,10001.0,4.0,1.0,0.0,301.34200000000004,17.0,4.0,CCOC(=O)NCCOC1C=CC(=CC=1)OC1C=CC=CC=1,4.000043427276863,Fenoxycarb
CCOC(=O)NCCSP(=S)(OC)OC,108.0,4.0,2.0,0.0,273.31600000000003,7.0,4.0,CCOC(=O)NCCSP(=S)(OC)OC,2.03342375548695,Ethyl 3-methyoxy-2-oxa-4-thia-7-aza-3-phosphaoctan-8-oate 3-sulfide
CCOC(=O)NNC1=NN=CC2=CC=CC=C21,458.0,4.0,2.0,0.0,232.243,11.0,2.0,CCOC(=O)NNC1=NN=CC2=CC=CC=C21,2.660865478003869,Todralazine hydrochloride
CCOC(=O)OC#CCCCCCC,2850.0,4.0,2.0,0.0,198.26199999999997,11.0,3.0,CCOC(=O)OC#CCCCCCC,3.45484486000851,"Carbonic acid, ethyl octynyl ester"
CCOC(=O)OC(=O)OCC,850.0,3.0,2.0,0.0,162.14099999999996,6.0,5.0,CCOC(=O)OC(=O)OCC,2.929418925714293,Diethyl dicarbonate
CCOC(=O)OC(C)OC1=C(C(=O)NC2C=CC=CN=2)N(C)S(=O)(=O)C2=CC=CC=C21,747.0,4.0,1.0,0.0,447.46900000000016,20.0,7.0,CCOC(=O)OC(C)OC1=C(C(=O)NC2C=CC=CN=2)N(C)S(=O)(=O)C2=CC=CC=C21,2.873320601815399,Ampiroxicam
CCOC(=O)OC1=C(C=C(C=C1OC)C(=O)OC1CC2CN3CCC4C5C=CC(=CC=5NC=4C3CC2C(C1OC)C(=O)OC)OC)OC,3500.0,1.0,0.0,3.0,666.7240000000003,35.0,11.0,CCOC(=O)OC1=C(C=C(C=C1OC)C(=O)OC1CC2CN3CCC4C5C=CC(=CC=5NC=4C3CC2C(C1OC)C(=O)OC)OC)OC,3.5440680443502757,Syrosingopine
CCOC(=O)OCC,9969.0,1.0,2.0,0.0,118.132,5.0,3.0,CCOC(=O)OCC,3.9986515959983735,Diethyl carbonate
CCOC(=O)OCCOC1C=C(O)C2=C(C=1N)C(=O)C1=CC=CC=C1C2=O,2751.0,4.0,1.0,0.0,371.3450000000001,19.0,7.0,CCOC(=O)OCCOC1C=C(O)C2=C(C=1N)C(=O)C1=CC=CC=C1C2=O,3.4394905903896835,"Carbonic acid, 2-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]ethyl ethyl ester"
CCOC(=O)[N-]C1=C[N+](=NO1)N1CCOCC1,1050.0,4.0,2.0,0.0,242.23499999999993,9.0,4.0,CCOC(=O)[N-]C1=C[N+](=NO1)N1CCOCC1,3.0211892990699383,Molsidomine
CCOC(=S)C1C=CC2OCOC=2C=1,1160.0,4.0,2.0,0.0,210.25399999999996,10.0,3.0,CCOC(=S)C1C=CC2OCOC=2C=1,3.0644579892269186,"1,3-Benzodioxole-5-carbothioic acid, O-ethyl ester"
CCOC(=S)C=CC1C=CC(=CC=1)N(C)C,120.0,4.0,2.0,0.0,235.352,13.0,1.0,CCOC(=S)C=CC1C=CC(=CC=1)N(C)C,2.0791812460476247,
CCOC(=S)C=CC1C=CC2OCOC=2C=1,940.0,4.0,2.0,0.0,236.29199999999997,12.0,3.0,CCOC(=S)C=CC1C=CC2OCOC=2C=1,2.9731278535996988,
CCOC(=S)SSC(=S)OCC,480.0,4.0,2.0,0.0,242.412,6.0,2.0,CCOC(=S)SSC(=S)OCC,2.681241237375587,Bis(ethylxanthogen)
CCOC(C)(C)C,2752.0,2.0,2.0,0.0,102.177,6.0,1.0,CCOC(C)(C)C,3.4396484295634737,2-Methyl-2-ethoxypropane
CCOC(C)=O,5620.0,1.0,2.0,0.0,88.106,4.0,2.0,CCOC(C)=O,3.749736315569061,Ethyl acetate
CCOC(C)CO,7110.0,1.0,2.0,0.0,104.149,5.0,2.0,CCOC(C)CO,3.851869600729766,2-Ethoxy-1-propanol
CCOC(C)OC(C)(CCC=C(C)C)C=C,7500.0,4.0,0.0,0.0,226.35999999999996,14.0,2.0,CCOC(C)OC(C)(CCC=C(C)C)C=C,3.8750612633917,CERAPP_40191
CCOC(C)OCCC1C=CC=CC=1,6251.0,4.0,1.0,0.0,194.27400000000003,12.0,2.0,CCOC(C)OCCC1C=CC=CC=1,3.7959494989028033,[2-(1-Ethoxyethoxy)ethyl]benzene
CCOC(C1C(Cl)=CC=CC=1Cl)C1NCCCN=1,625.0,4.0,3.0,0.0,287.19000000000005,13.0,1.0,CCOC(C1C(Cl)=CC=CC=1Cl)C1NCCCN=1,2.7958800173440754,
CCOC(C1NCC(C)(C)CN=1)C1C=CC(Cl)=CC=1,190.0,4.0,3.0,0.0,280.79900000000004,15.0,1.0,CCOC(C1NCC(C)(C)CN=1)C1C=CC(Cl)=CC=1,2.278753600952829,
CCOC(C1NCCCN=1)C1=CC(Cl)=C(Cl)C=C1,370.0,4.0,3.0,0.0,287.19000000000005,13.0,1.0,CCOC(C1NCCCN=1)C1=CC(Cl)=C(Cl)C=C1,2.568201724066995,
CCOC(C1NCCCN=1)C1C=CC(Cl)=CC=1,875.0,4.0,3.0,0.0,252.74500000000003,13.0,1.0,CCOC(C1NCCCN=1)C1C=CC(Cl)=CC=1,2.942008053022313,
CCOC(CC(OCC)OCC)OCC,1610.0,4.0,1.0,0.0,220.3089999999999,11.0,4.0,CCOC(CC(OCC)OCC)OCC,3.2068258760318495,"1,1,3,3-Tetraethoxypropane"
CCOC(F)(C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F,3500.0,4.0,1.0,1.0,414.10799999999995,9.0,1.0,CCOC(F)(C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F,3.5440680443502757,CERAPP_49980
CCOC(N)=O,1809.0,1.0,2.0,0.0,89.09400000000001,3.0,2.0,CCOC(N)=O,3.257438566859814,Urethane
CCOC(O)C(Cl)(Cl)Cl,880.0,2.0,2.0,0.0,193.457,4.0,2.0,CCOC(O)C(Cl)(Cl)Cl,2.9444826721501687,"Ethanol, 2,2,2-trichloro-1-ethoxy-"
CCOC(OCC)OCC,7060.0,2.0,1.0,0.0,148.202,7.0,3.0,CCOC(OCC)OCC,3.8488047010518036,Ethyl orthoformate
CCOC(S)=S,1700.0,1.0,2.0,0.0,122.214,3.0,1.0,CCOC(S)=S,3.230448921378274,Potassium ethyl xanthate
CCOC1=CC(=C(C=C1)NC1=CC=C(NC2CCCCC2)C2=C1C(=O)C1=CC=CC=C1C2=O)S(O)(=O)=O,9476.0,2.0,0.0,2.0,520.6070000000003,28.0,6.0,CCOC1=CC(=C(C=C1)NC1=CC=C(NC2CCCCC2)C2=C1C(=O)C1=CC=CC=C1C2=O)S(O)(=O)=O,3.9766250520507276,"Benzenesulfonic acid, 2-[[4-(cyclohexylamino)-9,10-dihydro-9,10-dioxo-1-anthracenyl]amino]-5-ethoxy-, sodium salt (1:1)"
CCOC1=CC(=C(C=C1OCC)OCC)C(=O)CCC(O)=O,2450.0,4.0,2.0,0.0,310.34600000000006,16.0,6.0,CCOC1=CC(=C(C=C1OCC)OCC)C(=O)CCC(O)=O,3.3891660843645326,Trepibutone
CCOC1=CC(=CC=C1OCCCCC)C1SC(=O)NC1=O,4330.0,4.0,1.0,0.0,323.4140000000001,16.0,4.0,CCOC1=CC(=CC=C1OCCCCC)C1SC(=O)NC1=O,3.6364878963533656,Risarestat
CCOC1=CC(=CC=C1[N+]([O-])=O)OC1=CC=C(C=C1Cl)C(F)(F)F,7500.0,4.0,1.0,1.0,361.703,15.0,4.0,CCOC1=CC(=CC=C1[N+]([O-])=O)OC1=CC=C(C=C1Cl)C(F)(F)F,3.8750612633917,Oxyfluorfen
CCOC1=CC2C=CC=CC=2C=C1,3159.0,4.0,2.0,0.0,172.22699999999998,12.0,1.0,CCOC1=CC2C=CC=CC=2C=C1,3.499549625905149,2-Ethoxynaphthalene
CCOC1=CC=CC=C1C(O)=O,1150.0,4.0,2.0,0.0,166.17599999999996,9.0,3.0,CCOC1=CC=CC=C1C(O)=O,3.060697840353612,"Benzoic acid, 2-ethoxy-"
CCOC1=CC=CC=C1OCC,5844.0,4.0,2.0,0.0,166.21999999999994,10.0,2.0,CCOC1=CC=CC=C1OCC,3.766710207262259,"1,2-Diethoxybenzene"
CCOC1=CC=CC=C1OCC(O)CNCCNCC(O)COC1=CC=CC=C1OCC,560.0,4.0,1.0,0.0,448.56000000000023,24.0,6.0,CCOC1=CC=CC=C1OCC(O)CNCCNCC(O)COC1=CC=CC=C1OCC,2.7481880270062002,
CCOC1=CC=CC=C1OS(=O)(=O)N/C(/O)=N/C1N=C(C=C(N=1)OC)OC,2910.0,4.0,1.0,0.0,398.39700000000016,15.0,7.0,CCOC1=CC=CC=C1OS(=O)(=O)N/C(/O)=N/C1N=C(C=C(N=1)OC)OC,3.4638929889859074,Ethoxysulfuron
CCOC1=NC(=NS1)C(Cl)(Cl)Cl,1052.5,3.0,2.0,0.0,247.534,5.0,1.0,CCOC1=NC(=NS1)C(Cl)(Cl)Cl,3.022222104507706,Etridiazole
CCOC1=NC2=CC=CC(=C2N1CC1C=CC(=CC=1)C1C=CC=CC=1C1NN=NN=1)C(O)=O,2751.0,4.0,0.0,0.0,440.4630000000001,24.0,3.0,CCOC1=NC2=CC=CC(=C2N1CC1C=CC(=CC=1)C1C=CC=CC=1C1NN=NN=1)C(O)=O,3.4394905903896835,Candesartan
CCOC1=NN(CSP(=S)(OC)OC)C(=O)S1,268.0,4.0,2.0,0.0,316.36600000000004,7.0,4.0,CCOC1=NN(CSP(=S)(OC)OC)C(=O)S1,2.428134794028789,Lythidathion
CCOC1C(O)C(OC2OC(COCC)C(O)C(COCC)C2O)C(CO)OC1O,7500.0,3.0,1.0,2.0,440.4860000000002,19.0,11.0,CCOC1C(O)C(OC2OC(COCC)C(O)C(COCC)C2O)C(CO)OC1O,3.8750612633917,Ethylcellulose
CCOC1C=C(C=CC=1C1COC(=N1)C1C(F)=CC=CC=1F)C(C)(C)C,5172.0,4.0,1.0,1.0,359.416,21.0,2.0,CCOC1C=C(C=CC=1C1COC(=N1)C1C(F)=CC=CC=1F)C(C)(C)C,3.7136585162083566,Etoxazole
CCOC1C=C(C=O)C=CC=1O,2793.0,4.0,2.0,0.0,166.176,9.0,3.0,CCOC1C=C(C=O)C=CC=1O,3.446070935701005,3-Ethoxy-4-hydroxybenzaldehyde
CCOC1C=C(N)C(Cl)=CC=1C(=O)NCC1CN(CC2=CC=C(F)C=C2)CCO1,3000.0,4.0,1.0,0.0,421.9000000000002,21.0,3.0,CCOC1C=C(N)C(Cl)=CC=1C(=O)NCC1CN(CC2=CC=C(F)C=C2)CCO1,3.4771212547196626,Mosapride
CCOC1C=C2C(CC3C=C(OCC)C(=CC=3)OCC)=NCCC2=CC=1OCC,540.0,4.0,0.0,0.0,397.51500000000016,24.0,4.0,CCOC1C=C2C(CC3C=C(OCC)C(=CC=3)OCC)=NCCC2=CC=1OCC,2.7323937598229686,Drotaverine hydrochloride
CCOC1C=C2SC(C3SC4C=C(C=CC=4C=3OS(O)(=O)=O)OCC)=C(OS(O)(=O)=O)C2=CC=1,6700.0,3.0,0.0,1.0,546.6220000000002,20.0,10.0,CCOC1C=C2SC(C3SC4C=C(C=CC=4C=3OS(O)(=O)=O)OCC)=C(OS(O)(=O)=O)C2=CC=1,3.8260748027008264,"[2,2'-Bibenzo[b]thiophene]-3,3'-diol, 6,6'-diethoxy-, bis(hydrogen sulfate), disodium salt"
CCOC1C=CC(=CC=1)C(C)(C)COCC1C=CC=C(C=1)OC1C=CC=CC=1,10001.0,3.0,0.0,1.0,376.496,25.0,3.0,CCOC1C=CC(=CC=1)C(C)(C)COCC1C=CC=C(C=1)OC1C=CC=CC=1,4.000043427276863,Etofenprox
CCOC1C=CC(=CC=1)C1(CC1(Cl)Cl)C(=O)OC(C#N)C1=CC(=CC=C1)OC1C=CC=CC=1,7500.0,2.0,0.0,1.0,482.36300000000006,26.0,4.0,CCOC1C=CC(=CC=1)C1(CC1(Cl)Cl)C(=O)OC(C#N)C1=CC(=CC=C1)OC1C=CC=CC=1,3.8750612633917,Cycloprothrin
CCOC1C=CC(=CC=1)C1CC(C2=CC=CC=C21)N(CC)CC,860.0,4.0,1.0,1.0,309.453,21.0,1.0,CCOC1C=CC(=CC=1)C1CC(C2=CC=CC=C21)N(CC)CC,2.934498451243568,
CCOC1C=CC(=CC=1)N(CCCC(O)=O)C(=O)C1C=CC(Cl)=CC=1,3500.0,4.0,0.0,0.0,361.8250000000001,19.0,4.0,CCOC1C=CC(=CC=1)N(CCCC(O)=O)C(=O)C1C=CC(Cl)=CC=1,3.5440680443502757,"Butyric acid, 4-(p-chloro-N-(p-ethoxyphenyl)benzamido)-"
CCOC1C=CC(=CC=1)NC(=O)C1C=C2C=CC=CC2=C(N=NC2=CC(Cl)=C(Cl)C=C2Cl)C=1O,3500.0,1.0,0.0,2.0,514.7960000000002,25.0,3.0,CCOC1C=CC(=CC=1)NC(=O)C1C=C2C=CC=CC2=C(N=NC2=CC(Cl)=C(Cl)C=C2Cl)C=1O,3.5440680443502757,CERAPP_31615
CCOC1C=CC(=CC=1)NC(=O)C1C=C2C=CC=CC2=CC=1O,6251.0,4.0,2.0,0.0,307.34900000000005,19.0,3.0,CCOC1C=CC(=CC=1)NC(=O)C1C=C2C=CC=CC2=CC=1O,3.7959494989028033,"2-Naphthalenecarboxamide, N-(4-ethoxyphenyl)-3-hydroxy-, monosodium salt"
CCOC1C=CC(=CC=1)NC(=O)CC(C)O,7000.0,4.0,1.0,0.0,223.272,12.0,3.0,CCOC1C=CC(=CC=1)NC(=O)CC(C)O,3.845098040014257,3-Hydroxy-4-butyrophenetidide
CCOC1C=CC(=CC=1)NC(N)=O,2875.0,4.0,2.0,0.0,180.20699999999997,9.0,2.0,CCOC1C=CC(=CC=1)NC(N)=O,3.4586378490256493,Dulcin
CCOC1C=CC(=CC=1)[N+]([O-])=O,3300.0,4.0,2.0,0.0,167.164,8.0,3.0,CCOC1C=CC(=CC=1)[N+]([O-])=O,3.5185139398778875,1-Ethoxy-4-nitrobenzene
CCOC1C=CC(=CC=1CNCCCl)[N+]([O-])=O,25.0,4.0,2.0,0.0,258.7049999999999,11.0,3.0,CCOC1C=CC(=CC=1CNCCCl)[N+]([O-])=O,1.3979400086720377,"Benzylamine, N-(2-chloroethyl)-2-ethoxy-5-nitro-"
CCOC1C=CC(=CC=1CNCCO)[N+]([O-])=O,25.0,4.0,1.0,0.0,240.25899999999996,11.0,4.0,CCOC1C=CC(=CC=1CNCCO)[N+]([O-])=O,1.3979400086720377,"Ethanol, 2-(((2-ethoxy-5-nitrophenyl)methyl)amino)-"
CCOC1C=CC(C=O)=CC=1,2100.0,3.0,2.0,0.0,150.177,9.0,2.0,CCOC1C=CC(C=O)=CC=1,3.322219294733919,p-Ethoxybenzaldehyde
CCOC1C=CC(N)=CC=1,1310.0,3.0,2.0,0.0,137.182,8.0,1.0,CCOC1C=CC(N)=CC=1,3.1172712956557644,p-Ethoxyaniline hydrochloride
CCOC1C=CC2C=C(C=CC=2C=1N)S(O)(=O)=O,10001.0,4.0,3.0,0.0,267.306,12.0,4.0,CCOC1C=CC2C=C(C=CC=2C=1N)S(O)(=O)=O,4.000043427276863,"2-Naphthalenesulfonic acid, 5-amino-6-ethoxy-"
CCOC1C=CC2CC3C4C=CC(O)C5OC=1C=2C45CCN3C,810.0,4.0,3.0,0.0,313.3970000000001,19.0,3.0,CCOC1C=CC2CC3C4C=CC(O)C5OC=1C=2C45CCN3C,2.90848501887865,Ethylmorphine
CCOC1C=CC=CC=1C(N)=O,2200.0,4.0,2.0,0.0,165.19199999999995,9.0,2.0,CCOC1C=CC=CC=1C(N)=O,3.342422680822206,2-Ethoxybenzamide
CCOC1C=CC=CC=1NC(=O)C(=O)NC1C=CC=CC=1CC,2751.0,4.0,3.0,0.0,312.3690000000001,18.0,3.0,CCOC1C=CC=CC=1NC(=O)C(=O)NC1C=CC=CC=1CC,3.4394905903896835,"Ethanediamide, N-(2-ethoxyphenyl)-N'-(2-ethylphenyl)-"
CCOC1C=CC=CC=1NC(=O)C1=CC2C=CC=CC=2C(N=NC2C=CC(=CC=2)C(N)=O)=C1O,10001.0,2.0,0.0,1.0,454.4860000000002,26.0,4.0,CCOC1C=CC=CC=1NC(=O)C1=CC2C=CC=CC=2C(N=NC2C=CC(=CC=2)C(N)=O)=C1O,4.000043427276863,C.I. Pigment Red 170
CCOC1C=CC=CC=1O,2214.0,2.0,2.0,0.0,138.16599999999997,8.0,2.0,CCOC1C=CC=CC=1O,3.345177616542704,2-Ethoxyphenol
CCOC1C=CC=CC=1OCC1CNCCO1,3500.0,4.0,2.0,0.0,237.29899999999992,13.0,3.0,CCOC1C=CC=CC=1OCC1CNCCO1,3.5440680443502757,Viloxazine
CCOC1CCC=CO1,6160.0,2.0,2.0,0.0,128.171,7.0,2.0,CCOC1CCC=CO1,3.7895807121644256,"2H-Pyran, 2-ethoxy-3,4-dihydro-"
CCOC1OC(C(OCC2=CC=CC=C2)C1O)C(COCC1=CC=CC=C1)OCC1=CC=CC=C1,10001.0,3.0,0.0,0.0,478.58500000000015,29.0,6.0,CCOC1OC(C(OCC2=CC=CC=C2)C1O)C(COCC1=CC=CC=C1)OCC1=CC=CC=C1,4.000043427276863,Tribenoside
CCOC1OC2C=CC(=CC=2C1(C)C)OS(C)(=O)=O,3207.0,4.0,2.0,0.0,286.34900000000005,13.0,5.0,CCOC1OC2C=CC(=CC=2C1(C)C)OS(C)(=O)=O,3.5060989599284405,Ethofumesate
CCOC=C,6150.0,1.0,2.0,0.0,72.107,4.0,1.0,CCOC=C,3.788875115775417,"Ethene, ethoxy-"
CCOC=C(C(=O)OCC)C(=O)OCC,925.0,4.0,1.0,0.0,216.23299999999995,10.0,5.0,CCOC=C(C(=O)OCC)C(=O)OCC,2.9661417327390325,Diethyl ethoxymethylenemalonate
CCOC=CCCCCCCCC,3125.0,4.0,0.0,0.0,184.323,12.0,1.0,CCOC=CCCCCCCCC,3.494850021680094,"1-Decene, 1-ethoxy-"
CCOC=O,3070.0,1.0,2.0,0.0,74.07900000000001,3.0,2.0,CCOC=O,3.4871383754771865,Ethyl formate
CCOCC,1504.0,1.0,2.0,0.0,74.123,4.0,1.0,CCOCC,3.1772478362556233,Diethyl ether
CCOCC(C)O,4400.0,1.0,2.0,0.0,104.149,5.0,2.0,CCOCC(C)O,3.6434526764861874,1-Ethoxy-2-propanol
CCOCC(O)COC1C=CC(=CC=1)NC(=O)CC[S+](C)C,10000.0,4.0,2.0,0.0,328.454,16.0,4.0,CCOCC(O)COC1C=CC(=CC=1)NC(=O)CC[S+](C)C,4.0,Suplatast
CCOCC1CCCO1,2000.0,2.0,2.0,0.0,130.187,7.0,2.0,CCOCC1CCCO1,3.3010299956639813,"Furan, 2-(ethoxymethyl)tetrahydro-"
CCOCC1NC2=NC=CN=C2C(=O)N=1,3500.0,4.0,2.0,0.0,206.205,9.0,2.0,CCOCC1NC2=NC=CN=C2C(=O)N=1,3.5440680443502757,"4(3H)-Pteridinone, 2-(ethoxymethyl)-"
CCOCCC#N,3200.0,1.0,2.0,0.0,99.133,5.0,1.0,CCOCCC#N,3.505149978319906,3-Ethoxypropiononitrile
CCOCCC(C)CCC=C(C)C,7500.0,4.0,0.0,0.0,184.323,12.0,1.0,CCOCCC(C)CCC=C(C)C,3.8750612633917,"8-Ethoxy-2,6-dimethyloct-2-ene"
CCOCCC(O)=O,4800.0,1.0,2.0,0.0,118.132,5.0,3.0,CCOCCC(O)=O,3.681241237375587,
CCOCCC(OCC)OCC,1600.0,4.0,1.0,0.0,176.25599999999997,9.0,3.0,CCOCCC(OCC)OCC,3.2041199826559246,"1,1,3-Triethoxypropane"
CCOCCCCCCCCCCCCCCC=CCC,3500.0,3.0,1.0,1.0,296.539,20.0,1.0,CCOCCCCCCCCCCCCCCC=CCC,3.5440680443502757,
CCOCCCCO,4000.0,2.0,2.0,0.0,118.176,6.0,2.0,CCOCCCCO,3.6020599913279625,"1-Butanol, 4-ethoxy-"
CCOCCCNS(=O)(=O)C1=CC=C(C=C1)OC1C=C(O)C2=C(C=1N)C(=O)C1C=CC=CC=1C2=O,3500.0,3.0,1.0,0.0,496.5410000000003,25.0,7.0,CCOCCCNS(=O)(=O)C1=CC=C(C=C1)OC1C=C(O)C2=C(C=1N)C(=O)C1C=CC=CC=1C2=O,3.5440680443502757,"Benzenesulfonamide, 4-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]-N-(3-ethoxypropyl)-"
CCOCCCO,7000.0,1.0,2.0,0.0,104.149,5.0,2.0,CCOCCCO,3.845098040014257,3-Ethoxy-1-propanol
CCOCCN,872.0,1.0,2.0,0.0,89.13800000000002,4.0,1.0,CCOCCN,2.940516484932567,"Ethanamine, 2-ethoxy-"
CCOCCN(CC1=CC=C(C=C1)OC1=CC=C(C=C1)[N+]([O-])=O)C(=O)C(Cl)Cl,7500.0,4.0,0.0,0.0,427.2840000000001,19.0,5.0,CCOCCN(CC1=CC=C(C=C1)OC1=CC=C(C=C1)[N+]([O-])=O)C(=O)C(Cl)Cl,3.8750612633917,Etofamide
CCOCCO,1974.0,1.0,2.0,0.0,90.122,4.0,2.0,CCOCCO,3.295347148333618,2-Ethoxyethanol
CCOCCOC(=O)C(=O)NC1=NC(=CS1)C1C=CC=CC=1,2150.0,4.0,3.0,0.0,320.37,15.0,4.0,CCOCCOC(=O)C(=O)NC1=NC(=CS1)C1C=CC=CC=1,3.3324384599156054,"Acetic acid, oxo((4-phenyl-2-thiazolyl)amino)-, 2-ethoxyethyl ester"
CCOCCOC(=O)C(C)OC1C=CC(=CC=1)OC1=NC=C(C=C1Cl)C(F)(F)F,518.0,4.0,0.0,0.0,433.81000000000006,19.0,5.0,CCOCCOC(=O)C(C)OC1C=CC(=CC=1)OC1=NC=C(C=C1Cl)C(F)(F)F,2.714329759745233,Haloxyfop-etotyl
CCOCCOC(=O)C=C,1070.0,2.0,2.0,0.0,144.17,7.0,3.0,CCOCCOC(=O)C=C,3.0293837776852097,2-Ethoxyethyl acrylate
CCOCCOC(C)(C)C,3600.0,3.0,2.0,0.0,146.23,8.0,2.0,CCOCCOC(C)(C)C,3.5563025007672873,"Propane, 2-(2-ethoxyethoxy)-2-methyl-"
CCOCCOC(C)=O,3400.0,2.0,2.0,0.0,132.159,6.0,3.0,CCOCCOC(C)=O,3.531478917042255,2-Ethoxyethyl acetate
CCOCCOC1C=CC(Cl)=CC=1Cl,1410.0,4.0,2.0,0.0,235.11,10.0,2.0,CCOCCOC1C=CC(Cl)=CC=1Cl,3.1492191126553797,"Ethane, 1-(2,4-dichlorophenoxy)-2-ethoxy-"
CCOCCOCC,4390.0,2.0,2.0,0.0,118.176,6.0,2.0,CCOCCOCC,3.6424645202421213,Ethylene glycol diethyl ether
CCOCCOCCCO,7060.0,2.0,1.0,0.0,148.202,7.0,3.0,CCOCCOCCCO,3.8488047010518036,"Propanol, 3-(2-ethoxyethoxy)-"
CCOCCOCCO,6215.0,2.0,1.0,0.0,134.175,6.0,3.0,CCOCCOCCO,3.7934411329776636,2-(2-Ethoxyethoxy)ethanol
CCOCCOCCOC(=O)C1CCC(CC1)C(=O)OCCOCCOCC,2751.0,4.0,1.0,0.0,404.50000000000034,20.0,8.0,CCOCCOCCOC(=O)C1CCC(CC1)C(=O)OCCOCCOCC,3.4394905903896835,"Bis-ethoxydiglycol cyclohexane 1,4-dicarboxylate"
CCOCCOCCOC(=O)C=C,1106.0,4.0,1.0,0.0,188.22299999999996,9.0,4.0,CCOCCOCCOC(=O)C=C,3.0437551269686796,2-(2-Ethoxyethoxy)ethyl prop-2-enoate
CCOCCOCCOC(C)=O,10001.0,4.0,1.0,0.0,176.212,8.0,4.0,CCOCCOCCOC(C)=O,4.000043427276863,2-(2-Ethoxyethoxy)ethyl acetate
CCOCCOCCOC(C)OC1=CC=C2OCOC2=C1,3500.0,4.0,2.0,0.0,298.3350000000001,15.0,6.0,CCOCCOCCOC(C)OC1=CC=C2OCOC2=C1,3.5440680443502757,Sesamex
CCOCCOCCOCC,6759.0,4.0,1.0,0.0,162.22899999999998,8.0,3.0,CCOCCOCCOCC,3.8298824464434933,Diethylene glycol diethyl ether
CCOCCOCCOCCO,9550.0,4.0,1.0,0.0,178.22799999999998,8.0,4.0,CCOCCOCCOCCO,3.9800033715837464,2-[2-(2-Ethoxyethoxy)ethoxy]ethanol
CCOCN1C(=C(C#N)C(Br)=C1C(F)(F)F)C1C=CC(Cl)=CC=1,567.0,4.0,1.0,1.0,407.617,15.0,1.0,CCOCN1C(=C(C#N)C(Br)=C1C(F)(F)F)C1C=CC(Cl)=CC=1,2.7535830588929064,Chlorfenapyr
CCOCN1C=C(F)C(=O)N(C(=O)C2=CC(=CC=C2)C(=O)OC2N=C(C=CC=2C#N)OC(=O)C2C=CC=CC=2)C1=O,1850.0,2.0,1.0,3.0,558.4780000000003,28.0,8.0,CCOCN1C=C(F)C(=O)N(C(=O)C2=CC(=CC=C2)C(=O)OC2N=C(C=CC=2C#N)OC(=O)C2C=CC=CC=2)C1=O,3.2671717284030137,Emitefur
CCOCOC1CCCCCCCCCCC1,6251.0,4.0,1.0,0.0,242.40299999999988,15.0,2.0,CCOCOC1CCCCCCCCCCC1,3.7959494989028033,(Ethoxymethoxy)cyclododecane
CCOCOCC,3536.0,1.0,2.0,0.0,104.149,5.0,2.0,CCOCOCC,3.5485122563410356,Diethoxymethane
CCON,177.0,1.0,2.0,0.0,61.084,2.0,1.0,CCON,2.247973266361807,"Hydroxylamine, O-ethyl-"
CCON=C(CC)C1C(=O)CC(CC1=O)C1C(C)=CC(C)=CC=1C,1129.0,4.0,1.0,0.0,329.4400000000001,20.0,3.0,CCON=C(CC)C1C(=O)CC(CC1=O)C1C(C)=CC(C)=CC=1C,3.052693941924968,Tralkoxydim
CCON=C(OC(=O)C1C=CC=CC=1)C1C(OC)=C(Cl)C=CC=1OC,10001.0,4.0,0.0,0.0,363.79700000000014,18.0,5.0,CCON=C(OC(=O)C1C=CC=CC=1)C1C(OC)=C(Cl)C=CC=1OC,4.000043427276863,Benzomate
CCOP(=O)(/N=C(/C)O)SC,500.0,4.0,2.0,0.0,197.196,5.0,3.0,CCOP(=O)(/N=C(/C)O)SC,2.6989700043360187,
CCOP(=O)(C#N)N(C)C,3.7,3.0,2.0,0.0,162.129,5.0,2.0,CCOP(=O)(C#N)N(C)C,0.568201724066995,Tabun
CCOP(=O)(CN(CCO)CCO)OCC,7500.0,4.0,2.0,0.0,255.25099999999995,9.0,5.0,CCOP(=O)(CN(CCO)CCO)OCC,3.8750612633917,Diethyl((diethanolamino)methyl)phosphonate
CCOP(=O)(Cl)Cl,220.0,2.0,2.0,0.0,162.94,2.0,2.0,CCOP(=O)(Cl)Cl,2.342422680822206,Ethyl dichlorophosphate
CCOP(=O)(Cl)OCC,11.0,2.0,2.0,0.0,172.54799999999997,4.0,3.0,CCOP(=O)(Cl)OCC,1.0413926851582251,Diethyl phosphorochloridate
CCOP(=O)(N=C1SCCS1)OCC,8.9,4.0,3.0,0.0,255.30099999999996,7.0,3.0,CCOP(=O)(N=C1SCCS1)OCC,0.9493900066449128,Phosfolan
CCOP(=O)(N=C1SCS1)OCC,6.0,4.0,2.0,0.0,241.27399999999997,6.0,3.0,CCOP(=O)(N=C1SCS1)OCC,0.7781512503836436,Fosthietan
CCOP(=O)(OC(=CCl)C1=CC(Cl)=CC=C1Cl)OCC,35.0,3.0,0.0,1.0,359.5730000000001,12.0,4.0,CCOP(=O)(OC(=CCl)C1=CC(Cl)=CC=C1Cl)OCC,1.5440680443502757,"2-Chloro-1-(2,5-dichlorophenyl)vinyl diethyl phosphate"
CCOP(=O)(OC(=CCl)C1C=CC(Cl)=CC=1Cl)OCC,9.83,3.0,0.0,1.0,359.5730000000001,12.0,4.0,CCOP(=O)(OC(=CCl)C1C=CC(Cl)=CC=1Cl)OCC,0.9925535178321356,Chlorfenvinphos
CCOP(=O)(OC(C1C=CC(Cl)=CC=1Cl)=C(Cl)Cl)OCC,30.2,3.0,0.0,1.0,394.01800000000014,12.0,4.0,CCOP(=O)(OC(C1C=CC(Cl)=CC=1Cl)=C(Cl)Cl)OCC,1.4800069429571505,
CCOP(=O)(OC1=CC(Cl)=C(C=C1)[N+]([O-])=O)OCC,5.0,4.0,1.0,0.0,309.64200000000005,10.0,6.0,CCOP(=O)(OC1=CC(Cl)=C(C=C1)[N+]([O-])=O)OCC,0.6989700043360189,"Phosphoric acid, 3-chloro-4-nitrophenyl diethyl ester"
CCOP(=O)(OC1=NC(Cl)=C(Cl)C=C1Cl)OCC,135.0,4.0,1.0,0.0,334.523,9.0,4.0,CCOP(=O)(OC1=NC(Cl)=C(Cl)C=C1Cl)OCC,2.130333768495006,Chlorpyrifos oxon
CCOP(=O)(OC1C=CC(=CC=1)[N+]([O-])=O)OCC,1.8,4.0,2.0,0.0,275.197,10.0,6.0,CCOP(=O)(OC1C=CC(=CC=1)[N+]([O-])=O)OCC,0.25527250510330607,Paraoxon
CCOP(=O)(OC1C=CC(Cl)=CC=1Cl)OCC,100.0,4.0,1.0,0.0,299.09000000000003,10.0,4.0,CCOP(=O)(OC1C=CC(Cl)=CC=1Cl)OCC,2.0,"Phosphoric acid, 2,4-dichlorophenyl diethyl ester"
CCOP(=O)(OC1C=NN(C=1)C1C=CC(Cl)=CC=1)SCCC,237.0,4.0,0.0,1.0,360.803,14.0,3.0,CCOP(=O)(OC1C=NN(C=1)C1C=CC(Cl)=CC=1)SCCC,2.374748346010104,Pyraclofos
CCOP(=O)(OC=C(Cl)Cl)OCC,2.5,4.0,1.0,0.0,249.02999999999997,6.0,4.0,CCOP(=O)(OC=C(Cl)Cl)OCC,0.3979400086720376,"Phosphoric acid, 2,2-dichloroethenyl diethyl ester"
CCOP(=O)(OC=CCl)N(CC)CC,76.0,4.0,1.0,0.0,241.65499999999997,8.0,3.0,CCOP(=O)(OC=CCl)N(CC)CC,1.8808135922807914,
CCOP(=O)(OCC)OCC,1382.5,4.0,1.0,0.0,182.156,6.0,4.0,CCOP(=O)(OCC)OCC,3.140665139976736,Triethyl phosphate
CCOP(=O)(OCC)SC1C=CC(=CC=1)[N+]([O-])=O,4.41,4.0,1.0,0.0,291.26500000000004,10.0,5.0,CCOP(=O)(OCC)SC1C=CC(=CC=1)[N+]([O-])=O,0.6444385894678385,"Phosphorothioic acid, O,O-diethyl S-(p-nitrophenyl) ester"
CCOP(=O)(OCC)SCC#C,18.0,4.0,1.0,0.0,208.21899999999997,7.0,3.0,CCOP(=O)(OCC)SCC#C,1.255272505103306,
CCOP(=O)(OCC)SCC1C=CC=CC=1,660.0,4.0,1.0,0.0,260.295,11.0,3.0,CCOP(=O)(OCC)SCC1C=CC=CC=1,2.8195439355418688,"Phosphorothioic acid, O,O-diethyl S-(phenylmethyl) ester"
CCOP(=O)(OCC)SCSP(=O)(OCC)OCC,12.75,4.0,0.0,0.0,352.35100000000017,9.0,6.0,CCOP(=O)(OCC)SCSP(=O)(OCC)OCC,1.105510184769974,
CCOP(=O)(OCC)SCSP(=S)(OCC)OCC,35.12,4.0,0.0,0.0,368.41900000000015,9.0,5.0,CCOP(=O)(OCC)SCSP(=S)(OCC)OCC,1.5455545072340648,Ethion monooxon
CCOP(=O)(OCCCl)OC=C(Cl)Cl,5.0,4.0,1.0,0.0,283.47499999999997,6.0,4.0,CCOP(=O)(OCCCl)OC=C(Cl)Cl,0.6989700043360189,
CCOP(=O)(ON1C(=O)C2=CC=CC3C=CC=C(C=32)C1=O)OCC,70.0,4.0,1.0,0.0,349.2790000000001,16.0,6.0,CCOP(=O)(ON1C(=O)C2=CC=CC3C=CC=C(C=32)C1=O)OCC,1.845098040014257,Naftalofos
CCOP(=O)(ON=C(C1CC1)C1CC1)OCC,7.85,4.0,2.0,0.0,261.258,11.0,4.0,CCOP(=O)(ON=C(C1CC1)C1CC1)OCC,0.8948696567452525,Dicyclopropyloketoxime diethylphosphoric acid ester
CCOP(=O)(OP(=O)(OCC)OCC)OCC,0.74,4.0,2.0,0.0,290.189,8.0,7.0,CCOP(=O)(OP(=O)(OCC)OCC)OCC,-0.13076828026902382,Tetraethyl pyrophosphate
CCOP(=O)(SC1C=CC=CC=1)SC1C=CC=CC=1,100.0,3.0,2.0,1.0,310.38000000000005,14.0,2.0,CCOP(=O)(SC1C=CC=CC=1)SC1C=CC=CC=1,2.0,Edifenphos
CCOP(=O)(SCCC)SCCC,48.0,4.0,0.0,0.0,242.34599999999995,8.0,2.0,CCOP(=O)(SCCC)SCCC,1.6812412373755872,Ethoprop
CCOP(=S)(Cl)Cl,900.0,2.0,2.0,0.0,179.008,2.0,1.0,CCOP(=S)(Cl)Cl,2.9542425094393248,O-Ethyl dichlorothiophosphate
CCOP(=S)(Cl)OC(C)C,425.0,4.0,2.0,0.0,202.643,5.0,2.0,CCOP(=S)(Cl)OC(C)C,2.6283889300503116,O-Ethyl O-propan-2-yl phosphorochloridothioate
CCOP(=S)(Cl)OCC,1340.0,3.0,2.0,0.0,188.616,4.0,2.0,CCOP(=S)(Cl)OCC,3.1271047983648077,"O,O-Diethyl chlorothiophosphate"
CCOP(=S)(NC(C)C)OC1=CC=CC=C1C(=O)OC(C)C,24.55,4.0,1.0,0.0,345.4010000000002,15.0,4.0,CCOP(=S)(NC(C)C)OC1=CC=CC=C1C(=O)OC(C)C,1.3900514964589874,Isofenphos
CCOP(=S)(OC(=CCl)C1C=C(Cl)C=CC=1Cl)OCC,42.0,3.0,0.0,1.0,375.6410000000001,12.0,3.0,CCOP(=S)(OC(=CCl)C1C=C(Cl)C=CC=1Cl)OCC,1.6232492903979006,Akton
CCOP(=S)(OC(C)C)OC1=CN=C(N=C1)C(C)(C)C,2.0,4.0,1.0,0.0,318.3790000000001,13.0,3.0,CCOP(=S)(OC(C)C)OC1=CN=C(N=C1)C(C)(C)C,0.3010299956639812,Tebupirimfos
CCOP(=S)(OC(C)C)SC1N=C(C)C=C(C)N=1,68.0,4.0,1.0,0.0,306.39300000000003,11.0,2.0,CCOP(=S)(OC(C)C)SC1N=C(C)C=C(C)N=1,1.8325089127062364,
CCOP(=S)(OC(Cl)C(Cl)(Cl)Cl)OCC,2.0,4.0,1.0,0.0,336.0039999999999,6.0,3.0,CCOP(=S)(OC(Cl)C(Cl)(Cl)Cl)OCC,0.3010299956639812,Chlorethoxyfos
CCOP(=S)(OC1=CC(Cl)=C(C=C1)[N+]([O-])=O)OCC,50.0,4.0,1.0,0.0,325.71000000000004,10.0,5.0,CCOP(=S)(OC1=CC(Cl)=C(C=C1)[N+]([O-])=O)OCC,1.6989700043360187,Ethyl chlorthion
CCOP(=S)(OC1=CC=C(Cl)C=C1Cl)OCC,221.0,4.0,1.0,0.0,315.158,10.0,3.0,CCOP(=S)(OC1=CC=C(Cl)C=C1Cl)OCC,2.3443922736851106,Dichlofenthion
CCOP(=S)(OC1=CN=C2C=CC=CC2=N1)OCC,26.0,4.0,2.0,0.0,298.30400000000003,12.0,3.0,CCOP(=S)(OC1=CN=C2C=CC=CC2=N1)OCC,1.414973347970818,Quinalphos
CCOP(=S)(OC1=CN=CC=N1)OCC,7.0,4.0,1.0,0.0,248.244,8.0,3.0,CCOP(=S)(OC1=CN=CC=N1)OCC,0.8450980400142568,Thionazin
CCOP(=S)(OC1=NC(Cl)=C(Cl)C=C1Cl)OCC,187.0,4.0,1.0,0.0,350.591,9.0,3.0,CCOP(=S)(OC1=NC(Cl)=C(Cl)C=C1Cl)OCC,2.271841606536499,Chlorpyrifos
CCOP(=S)(OC1=NN(C=N1)C1C=CC=CC=1)OCC,67.0,4.0,2.0,0.0,313.319,12.0,3.0,CCOP(=S)(OC1=NN(C=N1)C1C=CC=CC=1)OCC,1.8260748027008264,Triazophos
CCOP(=S)(OC1C=C(C(Cl)=CC=1Cl)[N+]([O-])=O)OCC,100.0,4.0,0.0,0.0,360.1550000000001,10.0,5.0,CCOP(=S)(OC1C=C(C(Cl)=CC=1Cl)[N+]([O-])=O)OCC,2.0,"Phosphorothioic acid, O-(2,4-dichloro-5-nitrophenyl) O,O-diethyl ester"
CCOP(=S)(OC1C=C(Cl)C(Br)=CC=1Cl)OCC,81.5,4.0,0.0,1.0,394.054,10.0,3.0,CCOP(=S)(OC1C=C(Cl)C(Br)=CC=1Cl)OCC,1.9111576087399766,Bromophos-ethyl
CCOP(=S)(OC1C=C(ON=1)C1C=CC=CC=1)OCC,180.0,4.0,1.0,0.0,313.315,13.0,4.0,CCOP(=S)(OC1C=C(ON=1)C1C=CC=CC=1)OCC,2.255272505103306,Isoxathion
CCOP(=S)(OC1C=C2OC(=O)C3CCCCC=3C2=CC=1)OCC,67.0,4.0,0.0,0.0,368.3910000000002,17.0,5.0,CCOP(=S)(OC1C=C2OC(=O)C3CCCCC=3C2=CC=1)OCC,1.8260748027008264,Coumithoate
CCOP(=S)(OC1C=CC(=CC=1)C#N)C1C=CC=CC=1,28.5,4.0,2.0,0.0,303.32300000000004,15.0,2.0,CCOP(=S)(OC1C=CC(=CC=1)C#N)C1C=CC=CC=1,1.4548448600085102,Cyanofenphos
CCOP(=S)(OC1C=CC(=CC=1)[N+]([O-])=O)C1C=CC=CC=1,8.0,4.0,2.0,0.0,323.31000000000006,14.0,4.0,CCOP(=S)(OC1C=CC(=CC=1)[N+]([O-])=O)C1C=CC=CC=1,0.9030899869919435,EPN
CCOP(=S)(OC1C=CC(=CC=1)[N+]([O-])=O)OCC,6.0,4.0,2.0,0.0,291.265,10.0,5.0,CCOP(=S)(OC1C=CC(=CC=1)[N+]([O-])=O)OCC,0.7781512503836436,Parathion
CCOP(=S)(OC1C=CC(=O)N(N=1)C1C=CC=CC=1)OCC,424.0,4.0,2.0,0.0,340.341,14.0,4.0,CCOP(=S)(OC1C=CC(=O)N(N=1)C1C=CC=CC=1)OCC,2.6273658565927325,Pyridaphenthion
CCOP(=S)(OC1C=CC(Cl)=CC=1Cl)SCCC,875.0,3.0,1.0,1.0,345.25300000000004,11.0,2.0,CCOP(=S)(OC1C=CC(Cl)=CC=1Cl)SCCC,2.942008053022313,Prothiofos
CCOP(=S)(OC1C=CC=C2C=CC=NC2=1)C1C=CC=CC=1,150.0,4.0,2.0,0.0,329.36100000000005,17.0,2.0,CCOP(=S)(OC1C=CC=C2C=CC=NC2=1)C1C=CC=CC=1,2.1760912590556813,Quintiofos
CCOP(=S)(OCC)N1C(=O)C2C=CC=CC=2C1=O,4930.0,4.0,3.0,0.0,299.28800000000007,12.0,4.0,CCOP(=S)(OCC)N1C(=O)C2C=CC=CC=2C1=O,3.69284691927723,Ditalimfos
CCOP(=S)(OCC)SC(CCl)N1C(=O)C2C=CC=CC=2C1=O,13.0,4.0,0.0,0.0,393.85400000000016,14.0,4.0,CCOP(=S)(OCC)SC(CCl)N1C(=O)C2C=CC=CC=2C1=O,1.1139433523068367,Dialifor
CCOP(=S)(OCC)SC1CSCC1,20.0,4.0,1.0,0.0,272.397,8.0,2.0,CCOP(=S)(OCC)SC1CSCC1,1.3010299956639813,
CCOP(=S)(OCC)SC1OCCOC1SP(=S)(OCC)OCC,34.0,4.0,0.0,0.0,456.5500000000002,12.0,6.0,CCOP(=S)(OCC)SC1OCCOC1SP(=S)(OCC)OCC,1.5314789170422551,Dioxathion
CCOP(=S)(OCC)SCC1=CC=C(C=C1)[N+]([O-])=O,100.0,4.0,1.0,0.0,321.36,11.0,4.0,CCOP(=S)(OCC)SCC1=CC=C(C=C1)[N+]([O-])=O,2.0,"Phosphorodithioic acid, O,O-diethyl S-p-nitrobenzyl ester"
CCOP(=S)(OCC)SCCl,7.0,4.0,1.0,0.0,234.71,5.0,2.0,CCOP(=S)(OCC)SCCl,0.8450980400142568,Chlormephos
CCOP(=S)(OCC)SCN1C(=O)OC2=CC(Cl)=CC=C12,120.0,4.0,0.0,0.0,367.8160000000001,12.0,4.0,CCOP(=S)(OCC)SCN1C(=O)OC2=CC(Cl)=CC=C12,2.0791812460476247,Phosalone
CCOP(=S)(OCC)SCN1N=C(Br)C=CC1=O,30.0,4.0,1.0,0.0,373.234,9.0,3.0,CCOP(=S)(OCC)SCN1N=C(Br)C=CC1=O,1.4771212547196624,"Phosphorodithioic acid, O,O-diethyl ester, S-ester with 6-bromo-2-(mercaptomethyl)-3(2H)-pyridazinone"
CCOP(=S)(OCC)SCN1N=NC2=CC=CC=C2C1=O,7.0,4.0,2.0,0.0,345.3860000000001,12.0,3.0,CCOP(=S)(OCC)SCN1N=NC2=CC=CC=C2C1=O,0.8450980400142568,Azinphos-ethyl
CCOP(=S)(OCC)SCSC1C=C(Cl)C=CC=1Cl,44.0,3.0,0.0,1.0,377.3200000000001,11.0,2.0,CCOP(=S)(OCC)SCSC1C=C(Cl)C=CC=1Cl,1.6434526764861874,Phenkapton
CCOP(=S)(OCC)SCSC1C=CC(Cl)=CC=1,17.0,4.0,1.0,1.0,342.875,11.0,2.0,CCOP(=S)(OCC)SCSC1C=CC(Cl)=CC=1,1.2304489213782739,Carbophenothion
CCOP(=S)(OCC)SCSCSP(=S)(OCC)OCC,8.5,3.0,0.0,1.0,430.5810000000002,10.0,4.0,CCOP(=S)(OCC)SCSCSP(=S)(OCC)OCC,0.9294189257142927,
CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,35.7,4.0,0.0,1.0,384.4870000000002,9.0,4.0,CCOP(=S)(OCC)SCSP(=S)(OCC)OCC,1.5526682161121932,Ethion
CCOP(=S)(ON1C(=O)C2=CC=CC3C=CC=C(C=32)C1=O)OCC,500.0,4.0,0.0,0.0,365.3470000000001,16.0,5.0,CCOP(=S)(ON1C(=O)C2=CC=CC3C=CC=C(C=32)C1=O)OCC,2.6989700043360187,"O,O-Diethyl O-naphthaloximide phosphorothioate"
CCOP(=S)(ON=C(C#N)C1=CC=CC=C1Cl)OCC,7500.0,4.0,1.0,0.0,332.749,12.0,3.0,CCOP(=S)(ON=C(C#N)C1=CC=CC=C1Cl)OCC,3.8750612633917,Chlorphoxim
CCOP(=S)(ON=C(C#N)C1C=CC=CC=1)OCC,300.0,4.0,2.0,0.0,298.304,12.0,3.0,CCOP(=S)(ON=C(C#N)C1C=CC=CC=1)OCC,2.4771212547196626,Phoxim
CCOP(=S)(OP(=S)(OCC)OCC)OCC,6.0,4.0,1.0,0.0,322.3250000000001,8.0,5.0,CCOP(=S)(OP(=S)(OCC)OCC)OCC,0.7781512503836436,Sulfotepp
CCOP(=S)(SCC)SCC,3500.0,4.0,0.0,0.0,230.36,6.0,1.0,CCOP(=S)(SCC)SCC,3.5440680443502757,"Phosphorotrithioic acid, O,S,S-triethyl ester"
CCOP(=S)OCC,200.0,1.0,2.0,0.0,154.17099999999996,4.0,2.0,CCOP(=S)OCC,2.3010299956639813,"Phosphonothioic acid, O,O-diethyl ester"
CCOP(C)(=O)SCCN(C(C)C)C(C)C,0.01,4.0,1.0,0.0,267.375,11.0,2.0,CCOP(C)(=O)SCCN(C(C)C)C(C)C,-2.0,"Phosphonothioic acid, P-methyl-, S-[2-[bis(1-methylethyl)amino]ethyl] O-ethyl ester"
CCOP(C)(=O)SCCN(C)C,0.12,4.0,1.0,0.0,211.26699999999997,7.0,2.0,CCOP(C)(=O)SCCN(C)C,-0.9208187539523752,
CCOP(O)(=O)C(N)=O,9385.0,1.0,2.0,0.0,153.07399999999996,3.0,4.0,CCOP(O)(=O)C(N)=O,3.9724342769573653,Fosamine ammonium
CCOP(O)(=O)CCC,2300.0,2.0,2.0,0.0,152.12999999999997,5.0,3.0,CCOP(O)(=O)CCC,3.361727836017593,Monoethyl propylphosphonate
CCOP(O)(O)=O,1600.0,1.0,2.0,0.0,126.04799999999996,2.0,4.0,CCOP(O)(O)=O,3.2041199826559246,"Phosphoric acid, ethyl ester, ammonium salt"
CCOP(O)OCC,3800.0,1.0,2.0,0.0,138.10299999999998,4.0,3.0,CCOP(O)OCC,3.57978359661681,Diethyl phosphite
CCOP(OC1=C(C=C(C=C1C)C(C)(C)C)C(C)(C)C)OC1=C(C=C(C=C1C)C(C)(C)C)C(C)(C)C,2751.0,0.0,0.0,2.0,514.7310000000003,32.0,3.0,CCOP(OC1=C(C=C(C=C1C)C(C)(C)C)C(C)(C)C)OC1=C(C=C(C=C1C)C(C)(C)C)C(C)(C)C,3.4394905903896835,"Bis(2,4-di-tert-butyl-6-methylphenyl)ethyl phosphite"
CCOP(OCC)C1C=CC=CC=1,2751.0,4.0,2.0,0.0,198.20200000000003,10.0,2.0,CCOP(OCC)C1C=CC=CC=1,3.4394905903896835,"Phosphonous acid, phenyl-, diethyl ester"
CCOP(OCC)OCC,2077.0,4.0,1.0,0.0,166.15699999999998,6.0,3.0,CCOP(OCC)OCC,3.317436496535099,Triethyl phosphite
CCOP(S)(=S)OCC,7470.333333333333,4.0,2.0,0.0,186.238,4.0,2.0,CCOP(S)(=S)OCC,3.87333998087798,"Ammonium O,O-diethyl dithiophosphate"
CCOS(=O)(=O)C1C=C(C=C2C=C(C=CC2=1)C(C)(C)C)C(C)(C)C,7500.0,4.0,2.0,1.0,348.5080000000001,20.0,3.0,CCOS(=O)(=O)C1C=C(C=C2C=C(C=CC2=1)C(C)(C)C)C(C)(C)C,3.8750612633917,Ethyl dibunate
CCOS(=O)(=O)OCC,880.0,1.0,2.0,0.0,154.18699999999998,4.0,4.0,CCOS(=O)(=O)OCC,2.9444826721501687,Diethyl sulfate
CCO[SiH](OCC)OCC,2250.0,4.0,1.0,0.0,164.27699999999996,6.0,3.0,CCO[SiH](OCC)OCC,3.3521825181113627,Triethoxysilane
CCO[Si](C)(C)C,3500.0,2.0,2.0,0.0,118.25199999999998,5.0,1.0,CCO[Si](C)(C)C,3.5440680443502757,Trimethylethoxysilane
CCO[Si](C)(C)C1C=CC=CC=1,2460.0,4.0,2.0,0.0,180.323,10.0,1.0,CCO[Si](C)(C)C1C=CC=CC=1,3.3909351071033793,"Silane, ethoxydimethylphenyl-"
CCO[Si](C)(C)CCl,1550.0,2.0,2.0,0.0,152.697,5.0,1.0,CCO[Si](C)(C)CCl,3.1903316981702914,"Silane, (chloromethyl)ethoxydimethyl-"
CCO[Si](C=C)(OCC)OCC,6251.0,4.0,1.0,0.0,190.3149999999999,8.0,3.0,CCO[Si](C=C)(OCC)OCC,3.7959494989028033,Ethenyl(triethoxy)silane
CCO[Si](CCC#N)(OCC)OCC,5607.0,4.0,1.0,0.0,217.34099999999995,9.0,3.0,CCO[Si](CCC#N)(OCC)OCC,3.7487305560984945,3-(Triethoxysilyl)propionitrile
CCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC,3500.0,2.0,0.0,2.0,510.3630000000001,14.0,3.0,CCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC,3.5440680443502757,"Silane, triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-"
CCO[Si](CCCC#N)(OCC)OCC,4920.0,4.0,1.0,0.0,231.3679999999999,10.0,3.0,CCO[Si](CCCC#N)(OCC)OCC,3.69196510276736,"Butanenitrile, 4-(triethoxysilyl)-"
CCO[Si](CCCC1CC(=O)OC1=O)(OCC)OCC,3500.0,4.0,2.0,0.0,304.415,13.0,6.0,CCO[Si](CCCC1CC(=O)OC1=O)(OCC)OCC,3.5440680443502757,CERAPP_47550
CCO[Si](CCCCl)(OCC)OCC,1649.0,4.0,1.0,0.0,240.8029999999999,9.0,3.0,CCO[Si](CCCCl)(OCC)OCC,3.217220655644519,(3-Chloropropyl)(triethoxy)silane
CCO[Si](CCCN)(OCC)OCC,1780.0,4.0,1.0,0.0,221.37299999999993,9.0,3.0,CCO[Si](CCCN)(OCC)OCC,3.250420002308894,3-Aminopropyltriethoxysilane
CCO[Si](CCCN=C=O)(OCC)OCC,400.0,4.0,1.0,0.0,247.36699999999993,10.0,4.0,CCO[Si](CCCN=C=O)(OCC)OCC,2.6020599913279625,3-Isocyanatopropyltriethoxysilane
CCO[Si](CCCNC=O)(OCC)OCC,2751.0,4.0,1.0,0.0,249.38299999999995,10.0,4.0,CCO[Si](CCCNC=O)(OCC)OCC,3.4394905903896835,N-[3-(Triethoxysilyl)propyl]formamide
CCO[Si](CCCNCCC[Si](OCC)(OCC)OCC)(OCC)OCC,4580.0,4.0,1.0,0.0,425.7150000000003,18.0,6.0,CCO[Si](CCCNCCC[Si](OCC)(OCC)OCC)(OCC)OCC,3.660865478003869,"1-Propanamine, 3-(triethoxysilyl)-N-[3-(triethoxysilyl)propyl]-"
CCO[Si](CCCNCCN)(OCC)OCC,3500.0,4.0,2.0,0.0,264.44199999999995,11.0,3.0,CCO[Si](CCCNCCN)(OCC)OCC,3.5440680443502757,"1,2-Ethanediamine, N1-[3-(triethoxysilyl)propyl]-"
CCO[Si](CCCOCC1CO1)(OCC)OCC,2751.0,4.0,2.0,0.0,278.421,12.0,5.0,CCO[Si](CCCOCC1CO1)(OCC)OCC,3.4394905903896835,CERAPP_30339
CCO[Si](CCCS)(OCC)OCC,6108.0,4.0,1.0,0.0,238.42499999999995,9.0,3.0,CCO[Si](CCCS)(OCC)OCC,3.7858990283843834,3-(Triethoxysilyl)propane-1-thiol
CCO[Si](CCCSC#N)(OCC)OCC,1423.0,4.0,2.0,0.0,263.43499999999995,10.0,3.0,CCO[Si](CCCSC#N)(OCC)OCC,3.153204900084284,3-(Triethoxysilyl)propyl thiocyanate
CCO[Si](CCCSSCCC[Si](OCC)(OCC)OCC)(OCC)OCC,2807.0,4.0,0.0,1.0,474.8340000000004,18.0,6.0,CCO[Si](CCCSSCCC[Si](OCC)(OCC)OCC)(OCC)OCC,3.448242412634439,"3,14-Dioxa-8,9-dithia-4,13-disilahexadecane, 4,4,13,13-tetraethoxy-"
CCO[Si](CC[Si](OCC)(OCC)OCC)(OCC)OCC,218.0,4.0,1.0,0.0,354.5920000000001,14.0,6.0,CCO[Si](CC[Si](OCC)(OCC)OCC)(OCC)OCC,2.3384564936046046,"1,2-Bis(triethoxysilyl)ethane"
CCO[Si](CCl)(OCC)OCC,2950.0,4.0,1.0,0.0,212.74899999999997,7.0,3.0,CCO[Si](CCl)(OCC)OCC,3.469822015978163,"Silane, (chloromethyl)triethoxy-"
CCO[Si](CN1CCOCC1)(OCC)OCC,2751.0,4.0,2.0,0.0,263.4099999999999,11.0,4.0,CCO[Si](CN1CCOCC1)(OCC)OCC,3.4394905903896835,"Morpholine, 4-[(triethoxysilyl)methyl]-"
CCO[Si](CNC1CCCCC1)(OCC)OCC,3500.0,4.0,2.0,0.0,275.465,13.0,3.0,CCO[Si](CNC1CCCCC1)(OCC)OCC,3.5440680443502757,"Cyclohexanamine, N-[(triethoxysilyl)methyl]-"
CCO[Si](CS)(OCC)OCC,2550.0,4.0,1.0,0.0,210.37099999999995,7.0,3.0,CCO[Si](CS)(OCC)OCC,3.406540180433955,"Methanethiol, triethoxysilyl-"
CCO[Si](OCC)(OCC)C1C=CC=CC=1,2802.0,4.0,1.0,0.0,240.375,12.0,3.0,CCO[Si](OCC)(OCC)C1C=CC=CC=1,3.4474681309497557,Triethoxy(phenyl)silane
CCO[Si](OCC)(OCC)N(CC)CC,750.0,4.0,1.0,0.0,235.39999999999995,10.0,3.0,CCO[Si](OCC)(OCC)N(CC)CC,2.8750612633917,"Silanamine, 1,1,1-triethoxy-N,N-diethyl-"
CCO[Si](OCC)(OCC)OCC,4823.0,4.0,1.0,0.0,208.32999999999996,8.0,4.0,CCO[Si](OCC)(OCC)OCC,3.6833172619218826,Tetraethyl orthosilicate
CCP(=O)(OCC)OCC,2330.0,4.0,1.0,0.0,166.15699999999998,6.0,3.0,CCP(=O)(OCC)OCC,3.367355921026019,Diethyl ethylphosphonate
CCP(=O)(OCC)SC1C=CC=CC=1,2.75,4.0,1.0,0.0,230.269,10.0,2.0,CCP(=O)(OCC)SC1C=CC=CC=1,0.43933269383026263,Fonofos oxygen analog
CCP(=O)(OCCC)SC,3.9,4.0,1.0,0.0,182.225,6.0,2.0,CCP(=O)(OCCC)SC,0.5910646070264992,
CCP(=O)(SCC)SCC,30.0,4.0,0.0,0.0,198.293,6.0,1.0,CCP(=O)(SCC)SCC,1.4771212547196624,"Phosphonodithioic acid, ethyl-, S,S-diethyl ester"
CCP(=S)(CC)OC1=CC(Cl)=C(Cl)C=C1Cl,100.0,4.0,2.0,1.0,317.605,10.0,1.0,CCP(=S)(CC)OC1=CC(Cl)=C(Cl)C=C1Cl,2.0,"Phosphinothioic acid, diethyl-, O-(2,4,5-trichlorophenyl) ester"
CCP(=S)(OC(C)C)OC1=CC=C(C=C1Cl)[N+]([O-])=O,32.0,4.0,1.0,0.0,323.73800000000006,11.0,4.0,CCP(=S)(OC(C)C)OC1=CC=C(C=C1Cl)[N+]([O-])=O,1.505149978319906,O-(2-Chloro-4-nitrophenyl) O-isopropyl ethylphosphonothioate
CCP(=S)(OC(C)C)SCN1C(=O)C2=CC=CC=C2C1=O,10.0,4.0,1.0,0.0,343.4100000000001,14.0,3.0,CCP(=S)(OC(C)C)SCN1C(=O)C2=CC=CC=C2C1=O,1.0,
CCP(=S)(OC)SC1C=CC=CC=1,90.0,4.0,1.0,0.0,232.31000000000003,9.0,1.0,CCP(=S)(OC)SC1C=CC=CC=1,1.954242509439325,
CCP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O,7.1,4.0,3.0,0.0,315.35600000000005,12.0,3.0,CCP(=S)(OC)SCN1C(=O)C2=CC=CC=C2C1=O,0.8512583487190752,
CCP(=S)(OC1C=C(Cl)C(Cl)=CC=1Cl)OCC,26.75,4.0,2.0,1.0,333.60400000000004,10.0,2.0,CCP(=S)(OC1C=C(Cl)C(Cl)=CC=1Cl)OCC,1.4273237863572472,Trichloronat
CCP(=S)(OCC)OCC,450.0,4.0,1.0,0.0,182.225,6.0,2.0,CCP(=S)(OCC)OCC,2.6532125137753435,
CCP(=S)(OCC)SC1C=CC(Cl)=CC=1,3.23,4.0,2.0,0.0,280.78200000000004,10.0,1.0,CCP(=S)(OCC)SC1C=CC(Cl)=CC=1,0.5092025223311029,
CCP(=S)(OCC)SC1C=CC=CC=1,11.775,4.0,1.0,0.0,246.33700000000005,10.0,1.0,CCP(=S)(OCC)SC1C=CC=CC=1,1.0709609158009339,Fonofos
CCS,682.0,1.0,2.0,0.0,62.137,2.0,0.0,CCS,2.833784374656479,Ethanethiol
CCS(=O)(=O)C1=CC=CN=C1S(=O)(=O)NC(=O)NC1=NC(=CC(=N1)OC)OC,7500.0,4.0,1.0,0.0,431.4520000000002,14.0,7.0,CCS(=O)(=O)C1=CC=CN=C1S(=O)(=O)NC(=O)NC1=NC(=CC(=N1)OC)OC,3.8750612633917,Rimsulfuron
CCS(=O)(=O)C1=NN=C(S1)N(C)C(=O)NC,7500.0,4.0,3.0,0.0,264.332,7.0,3.0,CCS(=O)(=O)C1=NN=C(S1)N(C)C(=O)NC,3.8750612633917,Ethidimuron
CCS(=O)(=O)C1N=C2C=CC=CN2C=1S(=O)(=O)NC(=O)NC1=NC(=CC(=N1)OC)OC,7500.0,4.0,1.0,2.0,470.48900000000026,16.0,7.0,CCS(=O)(=O)C1N=C2C=CC=CN2C=1S(=O)(=O)NC(=O)NC1=NC(=CC(=N1)OC)OC,3.8750612633917,Sulfosulfuron
CCS(=O)(=O)CCSP(=O)(OC)OC,32.4,4.0,2.0,0.0,262.289,6.0,5.0,CCS(=O)(=O)CCSP(=O)(OC)OC,1.510545010206612,Demeton-S-methylsulphon
CCS(=O)(=O)CCSP(=O)(OCC)OCC,1.9,4.0,2.0,0.0,290.3430000000001,8.0,5.0,CCS(=O)(=O)CCSP(=O)(OCC)OCC,0.2787536009528289,"O,O-diethyl S-[2-(ethylsulfonyl)-ethyl]phosphorothioate"
CCS(=O)(=O)CCSP(=S)(OCC)OCC,7.5,4.0,2.0,0.0,306.41100000000006,8.0,4.0,CCS(=O)(=O)CCSP(=S)(OCC)OCC,0.8750612633917001,Disulfoton sulfone
CCS(=O)(=O)CSP(=O)(OCC)OCC,0.5,4.0,2.0,0.0,276.31600000000003,7.0,5.0,CCS(=O)(=O)CSP(=O)(OCC)OCC,-0.3010299956639812,Phoratoxon sulfone
CCS(=O)(=O)CSP(=S)(OCC)OCC,1.2,4.0,2.0,0.0,292.38400000000007,7.0,4.0,CCS(=O)(=O)CSP(=S)(OCC)OCC,0.07918124604762482,Phorate sulfone
CCS(=O)(=O)Cl,360.0,1.0,2.0,0.0,128.57999999999998,2.0,2.0,CCS(=O)(=O)Cl,2.5563025007672873,Ethanesulfonyl chloride
CCS(=O)(=O)OC1C=CC2OCC(C)(C)C=2C=1,2031.0,4.0,3.0,0.0,256.323,12.0,4.0,CCS(=O)(=O)OC1C=CC2OCC(C)(C)C=2C=1,3.307709923404807,Benfuresate
CCS(=O)C1=C(N)N(N=C1C#N)C1C(Cl)=CC(=CC=1Cl)C(F)(F)F,7080.0,4.0,1.0,0.0,397.209,13.0,1.0,CCS(=O)C1=C(N)N(N=C1C#N)C1C(Cl)=CC(=CC=1Cl)C(F)(F)F,3.850033257689769,Ethiprole
CCS(=O)CC,5650.0,1.0,2.0,0.0,106.19,4.0,1.0,CCS(=O)CC,3.7520484478194387,Diethyl sulfoxide
CCS(=O)CC(C)SP(=O)(OC)OC,89.0,4.0,2.0,0.0,260.31699999999995,7.0,4.0,CCS(=O)CC(C)SP(=O)(OC)OC,1.9493900066449128,Oxydeprofos
CCS(=O)CCOP(=S)(OC)OC,600.0,4.0,1.0,0.0,246.29,6.0,4.0,CCS(=O)CCOP(=S)(OC)OC,2.7781512503836434,
CCS(=O)CCOP(=S)(OCC)OCC,100.0,4.0,2.0,0.0,274.344,8.0,4.0,CCS(=O)CCOP(=S)(OCC)OCC,2.0,
CCS(=O)CCSP(=O)(OC)OC,49.0,4.0,1.0,0.0,246.28999999999996,6.0,4.0,CCS(=O)CCSP(=O)(OC)OC,1.6901960800285136,Oxydemeton-methyl
CCS(=O)CCSP(=O)(OCC)OCC,2.0,4.0,2.0,0.0,274.34400000000005,8.0,4.0,CCS(=O)CCSP(=O)(OCC)OCC,0.3010299956639812,"O,O-diethyl S-[2-(ethylsulfinyl)-ethyl]phosphorothioate"
CCS(=O)CCSP(=S)(OCC)OCC,3.5,4.0,2.0,0.0,290.41200000000003,8.0,3.0,CCS(=O)CCSP(=S)(OCC)OCC,0.5440680443502757,Oxydisulfoton
CCS(=O)CSP(=O)(OCC)OCC,1.0,4.0,2.0,0.0,260.317,7.0,4.0,CCS(=O)CSP(=O)(OCC)OCC,0.0,Phorate oxon sulfoxide
CCS(=O)CSP(=S)(OCC)OCC,2.0,4.0,2.0,0.0,276.38500000000005,7.0,3.0,CCS(=O)CSP(=S)(OCC)OCC,0.3010299956639812,Phorate sulfoxide
CCS(O)(=O)=O,1150.0,1.0,2.0,0.0,110.134,2.0,3.0,CCS(O)(=O)=O,3.060697840353612,Ethanesulfonic acid
CCSC,6251.0,1.0,2.0,0.0,76.164,3.0,0.0,CCSC,3.7959494989028033,Ethyl methyl sulfide
CCSC(=O)N(CC(C)C)CC(C)C,4495.0,4.0,1.0,0.0,217.378,11.0,1.0,CCSC(=O)N(CC(C)C)CC(C)C,3.6527296960692475,Butylate
CCSC(=O)N(CC)CC,400.0,4.0,2.0,0.0,161.26999999999998,7.0,1.0,CCSC(=O)N(CC)CC,2.6020599913279625,Ethiolate
CCSC(=O)N(CCC)CCC,1511.0,4.0,1.0,0.0,189.324,9.0,1.0,CCSC(=O)N(CCC)CCC,3.1792644643390253,EPTC
CCSC(=O)N1CCCCCC1,466.5,4.0,2.0,0.0,187.3079999999999,9.0,1.0,CCSC(=O)N1CCCCCC1,2.668851648082519,Molinate
CCSC(=O)NCCCN(C)C,1300.0,4.0,1.0,0.0,190.312,8.0,1.0,CCSC(=O)NCCCN(C)C,3.113943352306837,Prothiocarb hydrochloride [ISO]
CCSC(=S)N(C)C,550.0,2.0,2.0,0.0,149.284,5.0,0.0,CCSC(=S)N(C)C,2.7403626894942437,"Carbamic acid, dimethyldithio-, ethyl ester"
CCSC1=NC(=O)N(CC(C)(C)C)C(=O)N1N,3500.0,4.0,3.0,0.0,258.347,10.0,2.0,CCSC1=NC(=O)N(CC(C)(C)C)C(=O)N1N,3.5440680443502757,"1,3,5-Triazine-2,4(1H,3H)-dione, 1-amino-3-(2,2-dimethylpropyl)-6-(ethylthio)-"
CCSC1=NN=C(C(=O)N1N)C(C)(C)C,599.0,4.0,2.0,0.0,228.321,9.0,1.0,CCSC1=NN=C(C(=O)N1N)C(C)(C)C,2.7774268223893115,Ethiozin
CCSC1N=C(NC(C)C)N=C(NC(C)C)N=1,3900.0,4.0,2.0,0.0,255.391,11.0,0.0,CCSC1N=C(NC(C)C)N=C(NC(C)C)N=1,3.591064607026499,Dipropetryn
CCSCC,3415.0,1.0,2.0,0.0,90.191,4.0,0.0,CCSCC,3.5333907080175515,Diethyl sulfide
CCSCC1C=CC=CC=1OC(=O)NC,200.0,4.0,2.0,0.0,225.313,11.0,2.0,CCSCC1C=CC=CC=1OC(=O)NC,2.3010299956639813,Ethiofencarb
CCSCCCl,252.0,1.0,2.0,0.0,124.636,4.0,0.0,CCSCCCl,2.401400540781544,1-Chloro-2-(ethylthio)ethane
CCSCCO,2751.0,1.0,2.0,0.0,106.19,4.0,1.0,CCSCCO,3.4394905903896835,"Ethanol, 2-(ethylthio)-"
CCSCCOC(=O)C=C,2500.0,4.0,2.0,0.0,160.23799999999997,7.0,2.0,CCSCCOC(=O)C=C,3.3979400086720375,"Acrylic acid, 2-(ethylthio)ethyl ester"
CCSCCOP(=S)(OC)OC,75.0,4.0,1.0,0.0,230.291,6.0,3.0,CCSCCOP(=S)(OC)OC,1.8750612633917,Demeton-O-methyl
CCSCCOP(=S)(OCC)OCC,7.5,4.0,2.0,0.0,258.3449999999999,8.0,3.0,CCSCCOP(=S)(OCC)OCC,0.8750612633917001,Demeton-O
CCSCCSP(=O)(OC)OC,38.0,4.0,1.0,0.0,230.29099999999997,6.0,3.0,CCSCCSP(=O)(OC)OC,1.5797835966168101,Demeton-S-methyl
CCSCCSP(=O)(OCC)OCC,1.5,4.0,1.0,0.0,258.34499999999997,8.0,3.0,CCSCCSP(=O)(OCC)OCC,0.17609125905568124,Demeton-S
CCSCCSP(=S)(OC)OC,81.0,4.0,1.0,0.0,246.359,6.0,2.0,CCSCCSP(=S)(OC)OC,1.9084850188786497,Thiometon
CCSCCSP(=S)(OCC)OCC,3.0,4.0,1.0,0.0,274.413,8.0,2.0,CCSCCSP(=S)(OCC)OCC,0.47712125471966244,Disulfoton
CCSCSP(=O)(OCC)OCC,0.25,4.0,0.0,0.0,244.318,7.0,3.0,CCSCSP(=O)(OCC)OCC,-0.6020599913279624,Phorate oxon
CCSCSP(=S)(OCC)OCC,1.4,4.0,1.0,0.0,260.38599999999997,7.0,2.0,CCSCSP(=S)(OCC)OCC,0.146128035678238,Phorate
CCSN(C)C(=O)OC1=CC=CC2CC(C)(C)OC1=2,25.0,4.0,3.0,0.0,281.377,14.0,3.0,CCSN(C)C(=O)OC1=CC=CC2CC(C)(C)OC1=2,1.3979400086720377,"Carbamic acid, (ethylthio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester"
CCSSCC,2030.0,1.0,2.0,0.0,122.258,4.0,0.0,CCSSCC,3.307496037913213,Diethyl disulphide
CC[N+](C)(C)CCO,6930.0,2.0,2.0,0.0,118.2,6.0,1.0,CC[N+](C)(C)CCO,3.8407332346118066,
CC[N+](CC)(CC)CC,1673.75,3.0,1.0,0.0,130.255,8.0,0.0,CC[N+](CC)(CC)CC,3.223690590020065,Tetraethylammonium
CC[N+](CC1C=C(C=CC=1)S(O)(=O)=O)=C1C=CC(C=C1)=C(C1=CC=C(O)C=C1S(O)(=O)=O)C1C=CC(=CC=1)N(CC1C=C(C=CC=1)S(O)(=O)=O)CC,3500.0,0.0,0.0,2.0,765.9080000000005,37.0,10.0,CC[N+](CC1C=C(C=CC=1)S(O)(=O)=O)=C1C=CC(C=C1)=C(C1=CC=C(O)C=C1S(O)(=O)=O)C1C=CC(=CC=1)N(CC1C=C(C=CC=1)S(O)(=O)=O)CC,3.5440680443502757,FD&C Green No. 3
CC[N+](CC1C=C(C=CC=1)S(O)(=O)=O)=C1C=CC(C=C1)=C(C1=CC=CC=C1S(O)(=O)=O)C1C=CC(=CC=1)N(CC1C=C(C=CC=1)S(O)(=O)=O)CC,1976.0,0.0,0.0,2.0,749.9090000000004,37.0,9.0,CC[N+](CC1C=C(C=CC=1)S(O)(=O)=O)=C1C=CC(C=C1)=C(C1=CC=CC=C1S(O)(=O)=O)C1C=CC(=CC=1)N(CC1C=C(C=CC=1)S(O)(=O)=O)CC,3.295786940251609,C.I. Acid Blue 9
CC[N+](CC1C=C(C=CC=1)S(O)(=O)=O)=C1C=CC(C=C1)=C(C1C=CC(=CC=1)S(O)(=O)=O)C1C=CC(=CC=1)N(CC1C=C(C=CC=1)S(O)(=O)=O)CC,3500.0,0.0,0.0,2.0,749.9090000000004,37.0,9.0,CC[N+](CC1C=C(C=CC=1)S(O)(=O)=O)=C1C=CC(C=C1)=C(C1C=CC(=CC=1)S(O)(=O)=O)C1C=CC(=CC=1)N(CC1C=C(C=CC=1)S(O)(=O)=O)CC,3.5440680443502757,FD&C Green No. 2
CC[N+](CC1C=C(C=CC=1)S(O)(=O)=O)=C1C=CC(C=C1)=C(C1C=CC=CC=1)C1C=CC(=CC=1)N(CC1C=C(C=CC=1)S(O)(=O)=O)CC,3000.0,0.0,0.0,2.0,669.8450000000004,37.0,6.0,CC[N+](CC1C=C(C=CC=1)S(O)(=O)=O)=C1C=CC(C=C1)=C(C1C=CC=CC=1)C1C=CC(=CC=1)N(CC1C=C(C=CC=1)S(O)(=O)=O)CC,3.4771212547196626,FD&C Green No. 1
CC[N+](CC1C=CC=CC=1)(CC)CC,2219.0,4.0,1.0,0.0,192.326,13.0,0.0,CC[N+](CC1C=CC=CC=1)(CC)CC,3.346157302232008,Benzyltriethylammonium chloride
CC[N+](CC1C=CC=CC=1Cl)(CCNC(=O)C(=O)NCC[N+](CC1C=CC=CC=1Cl)(CC)CC)CC,18.5,1.0,0.0,1.0,537.5760000000002,28.0,2.0,CC[N+](CC1C=CC=CC=1Cl)(CCNC(=O)C(=O)NCC[N+](CC1C=CC=CC=1Cl)(CC)CC)CC,1.2671717284030137,Ambenonium
CC[N+](CCCC)(CCCC)CCCC,3500.0,4.0,0.0,0.0,214.41699999999992,14.0,0.0,CC[N+](CCCC)(CCCC)CCCC,3.5440680443502757,"1-Butanaminium, N,N-dibutyl-N-ethyl-, hydroxide"
CC[N+](CCO)(CC)CC,1000.0,3.0,1.0,0.0,146.254,8.0,1.0,CC[N+](CCO)(CC)CC,3.0,"Ethanaminium, N,N,N-triethyl-2-hydroxy-, iodide (1:1)"
CC[N+](CCO)(CCO)CCO,3500.0,3.0,1.0,0.0,178.25199999999998,8.0,3.0,CC[N+](CCO)(CCO)CCO,3.5440680443502757,"Ethanaminium, N-ethyl-2-hydroxy-N,N-bis(2-hydroxyethyl)-, ethyl sulfate (salt)"
CC[N+](CCOC(=O)C(C1CCCC1)C1CCCC1)(CC)CC,780.0,4.0,1.0,0.0,324.5290000000001,20.0,2.0,CC[N+](CCOC(=O)C(C1CCCC1)C1CCCC1)(CC)CC,2.8920946026904804,Diponium bromide
CC[N+](CCOC1C(=CC=CC=1OCC[N+](CC)(CC)CC)OCC[N+](CC)(CC)CC)(CC)CC,1000.0,1.0,0.0,2.0,510.8280000000005,30.0,3.0,CC[N+](CCOC1C(=CC=CC=1OCC[N+](CC)(CC)CC)OCC[N+](CC)(CC)CC)(CC)CC,3.0,Lopac G 8134
CC[N+]([O-])=O,1091.0,1.0,2.0,0.0,75.067,2.0,2.0,CC[N+]([O-])=O,3.037824750588342,Nitroethane
CC[N+]1(C)C2CC(CC1C1OC12)OC(=O)C(CO)C1C=CC=CC=1,2250.0,4.0,2.0,0.0,332.4200000000001,19.0,4.0,CC[N+]1(C)C2CC(CC1C1OC12)OC(=O)C(CO)C1C=CC=CC=1,3.3521825181113627,Oxitropium
CC[N+]1(C)CC(CCC1)OC(=O)C(O)(C1C=CC=CC=1)C1C=CC=CC=1,883.0,4.0,1.0,0.0,354.4700000000001,22.0,3.0,CC[N+]1(C)CC(CCC1)OC(=O)C(O)(C1C=CC=CC=1)C1C=CC=CC=1,2.9459607035775686,Pipenzolate
CC[N+]1(C)CCCC1,3500.0,2.0,2.0,0.0,114.212,7.0,0.0,CC[N+]1(C)CCCC1,3.5440680443502757,1-Ethyl-1-methylpyrrolidinium trifluoromethanesulfonate
CC[N+]1(CC(CC1)OC(=O)C(O)(C1C=CC=CC=1)C1C=CC=CC=1)CC,760.0,4.0,1.0,0.0,354.4700000000001,22.0,3.0,CC[N+]1(CC(CC1)OC(=O)C(O)(C1C=CC=CC=1)C1C=CC=CC=1)CC,2.8808135922807914,Benzilonium bromide
CC[N+]1(CCCO1)CC,150.0,2.0,2.0,0.0,130.211,7.0,1.0,CC[N+]1(CCCO1)CC,2.1760912590556813,
CC[N+]1(CCOC(=O)C(O)(C2C=CC=CC=2)C2C=CC=CC=2)CCCCC1,4600.0,4.0,1.0,0.0,368.49700000000024,23.0,3.0,CC[N+]1(CCOC(=O)C(O)(C2C=CC=CC=2)C2C=CC=CC=2)CCCCC1,3.662757831681574,Pipethanate
CC[N+]1=C(C2=CC(N)=CC=C2C2=CC=C(N)C=C12)C1C=CC=CC=1,3500.0,4.0,2.0,0.0,314.41200000000003,21.0,0.0,CC[N+]1=C(C2=CC(N)=CC=C2C2=CC=C(N)C=C12)C1C=CC=CC=1,3.5440680443502757,Ethidium bromide
CC[N+]1=C(C2C=CC=C3C=CC=C1C3=2)C1=CC2C(C)CC(C)(C)N(CCO)C=2C=C1,874.0,4.0,0.0,1.0,399.5580000000001,27.0,1.0,CC[N+]1=C(C2C=CC=C3C=CC=C1C3=2)C1=CC2C(C)CC(C)(C)N(CCO)C=2C=C1,2.941511432634403,"Benz[cd]indolium, 1-ethyl-2-[1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-2,2,4-trimethyl-6-quinolinyl]-, chloride (1:1)"
CC[N+]1=C2C=CC=CC2=CC=C1/C=C1SC2C=CC=CC=2N1C,2240.0,4.0,2.0,0.0,319.45300000000003,20.0,0.0,CC[N+]1=C2C=CC=CC2=CC=C1/C=C1SC2C=CC=CC=2N1C,3.3502480183341627,"Quinolinium, 1-ethyl-2-[(3-methyl-2(3H)-benzothiazolylidene)methyl]-, iodide (1:1)"
CC[N+]1C2C=CC=CC=2SC=1/C=C/C=C/C=C1/SC2C=CC=CC=2N/1CC,179.0,3.0,1.0,1.0,391.5850000000001,23.0,0.0,CC[N+]1C2C=CC=CC=2SC=1/C=C/C=C/C=C1/SC2C=CC=CC=2N/1CC,2.2528530309798933,Dithiazanine chloride
CC[P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1,141.5,4.0,2.0,0.0,291.354,20.0,0.0,CC[P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1,2.150756439860309,Ethyl(triphenyl)phosphonium
CC[Se][Se]CC,90.0,2.0,2.0,0.0,216.04399999999995,4.0,0.0,CC[Se][Se]CC,1.954242509439325,"Diselenide, diethyl"
CC[SiH](CC)CC,3500.0,2.0,2.0,0.0,116.28,6.0,0.0,CC[SiH](CC)CC,3.5440680443502757,CERAPP_54516
CC[Si](Cl)(Cl)C=C,2830.0,1.0,2.0,0.0,155.1,4.0,0.0,CC[Si](Cl)(Cl)C=C,3.45178643552429,Dichloroethylvinylsilane
CC[Si](Cl)(Cl)CC,1300.0,1.0,2.0,0.0,157.116,4.0,0.0,CC[Si](Cl)(Cl)CC,3.113943352306837,Diethyldichlorosilane
CC[Si](Cl)(Cl)Cl,1065.0,2.0,2.0,0.0,163.507,2.0,0.0,CC[Si](Cl)(Cl)Cl,3.0273496077747564,Trichloroethylsilane
CC[Si](OC(C)=O)(OC(C)=O)OC(C)=O,1460.0,4.0,1.0,0.0,234.27999999999992,8.0,6.0,CC[Si](OC(C)=O)(OC(C)=O)OC(C)=O,3.164352855784437,Ethyltriacetoxysilane
CC[Si](OCC)(OCC)OCC,10001.0,4.0,1.0,0.0,192.33099999999996,8.0,3.0,CC[Si](OCC)(OCC)OCC,4.000043427276863,Ethyltriethoxysilane
CCl,1800.0,1.0,2.0,0.0,50.488,1.0,0.0,CCl,3.255272505103306,Chloromethane
CI,93.0,1.0,2.0,0.0,141.939,1.0,0.0,CI,1.968482948553935,Methyl iodide
CN,963.0,0.0,2.0,0.0,31.058,1.0,0.0,CN,2.9836262871245345,Methylammonium chloride (1:1)
CN(/C(/O)=N/C(C)(C)C1C=CC=CC=1)C1C=CC=CC=1,6130.0,4.0,2.0,0.0,268.36,17.0,1.0,CN(/C(/O)=N/C(C)(C)C1C=CC=CC=1)C1C=CC=CC=1,3.787460474518415,Methyldymron
CN(C#N)C1N=C(NC(C)C)N=C(NC(C)C)N=1,1700.0,4.0,1.0,0.0,249.322,11.0,0.0,CN(C#N)C1N=C(NC(C)C)N=C(NC(C)C)N=1,3.230448921378274,Metazine
CN(C(=O)C1C=C(C=C(C=1)C(F)(F)F)C(F)(F)F)C1=NC(=C(Cl)S1)C(F)(F)F,501.0,3.0,1.0,1.0,456.7170000000001,14.0,1.0,CN(C(=O)C1C=C(C=C(C=1)C(F)(F)F)C(F)(F)F)C1=NC(=C(Cl)S1)C(F)(F)F,2.699837725867246,"Benzamide, 3,5-bis(trifluoromethyl)-, N-(5-chloro-4-(trifluoromethyl)-2-thiazolyl)-N-methyl-"
CN(C(=O)CN1CCN(C)CC1)C1C=CC(N)=CC=1,2751.0,4.0,3.0,0.0,262.357,14.0,1.0,CN(C(=O)CN1CCN(C)CC1)C1C=CC(N)=CC=1,3.4394905903896835,N-(4-Aminophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)acetamide
CN(C(=O)COC1=NC2=CC=CC=C2S1)C1C=CC=CC=1,7500.0,4.0,3.0,0.0,298.367,16.0,2.0,CN(C(=O)COC1=NC2=CC=CC=C2S1)C1C=CC=CC=1,3.8750612633917,Mefenacet
CN(C(=O)CSC)C(=O)OC1=CC=CC=C1OC(C)C,650.0,4.0,2.0,0.0,297.37600000000003,14.0,4.0,CN(C(=O)CSC)C(=O)OC1=CC=CC=C1OC(C)C,2.8129133566428557,"Carbamic acid, methyl ((methylthio)acetyl)-, o-isopropoxyphenyl ester"
CN(C(=O)CSP(=S)(OCC)OCC)C(=O)OCC,31.0,4.0,2.0,0.0,329.3800000000001,10.0,5.0,CN(C(=O)CSP(=S)(OCC)OCC)C(=O)OCC,1.4913616938342726,Mecarbam
CN(C(=O)Cl)C1=NN=C(S1)C(C)(C)C,500.0,4.0,2.0,0.0,233.724,8.0,1.0,CN(C(=O)Cl)C1=NN=C(S1)C(C)(C)C,2.6989700043360187,"Carbamic chloride, N-[5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl]-N-methyl-"
CN(C(=O)N(C)C1C=CC=CC=1)C1C=CC=CC=1,1150.0,4.0,2.0,0.0,240.306,15.0,1.0,CN(C(=O)N(C)C1C=CC=CC=1)C1C=CC=CC=1,3.060697840353612,"1,3-Dimethyl-1,3-diphenylurea"
CN(C)/C(/O)=N/C1=CC(Cl)=C(C=C1)N1N=C(OC1=O)C(C)(C)C,1000.0,4.0,3.0,0.0,338.7950000000001,15.0,3.0,CN(C)/C(/O)=N/C1=CC(Cl)=C(C=C1)N1N=C(OC1=O)C(C)(C)C,3.0,Dimefuron
CN(C)C,611.0,1.0,2.0,0.0,59.111999999999995,3.0,0.0,CN(C)C,2.786041210242554,"Formic acid, compd. with N,N-dimethylmethanamine (1:1)"
CN(C)C#N,146.0,1.0,2.0,0.0,70.095,3.0,0.0,CN(C)C#N,2.164352855784437,Dimethyl cyanamide
CN(C)C(=N)N(C)C,835.0,2.0,2.0,0.0,115.18,5.0,0.0,CN(C)C(=N)N(C)C,2.921686475483602,"Guanidine, N,N,N',N'-tetramethyl-"
CN(C)C(=N)NC#N,3840.0,0.0,2.0,0.0,112.136,4.0,0.0,CN(C)C(=N)NC#N,3.584331224367531,"Guanidine, N'-cyano-N,N-dimethyl-"
CN(C)C(=N)NC(N)=N,1706.0,1.0,2.0,0.0,129.167,4.0,0.0,CN(C)C(=N)NC(N)=N,3.231979026831504,Metformin hydrochloride
CN(C)C(=O)C(C1C=CC=CC=1)C1C=CC=CC=1,867.5,4.0,2.0,0.0,239.318,16.0,1.0,CN(C)C(=O)C(C1C=CC=CC=1)C1C=CC=CC=1,2.9382694834629115,Diphenamid
CN(C)C(=O)C(CCN1CCC(O)(CC1)C1=CC(=C(Cl)C=C1)C(F)(F)F)(C1C=CC=CC=1)C1C=CC=CC=1,86.0,1.0,0.0,2.0,545.0450000000002,30.0,2.0,CN(C)C(=O)C(CCN1CCC(O)(CC1)C1=CC(=C(Cl)C=C1)C(F)(F)F)(C1C=CC=CC=1)C1C=CC=CC=1,1.9344984512435677,Fluperamide hydrochloride
CN(C)C(=O)C(CCN1CCC(O)(CC1)C1C=CC(Cl)=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1,141.5,3.0,0.0,1.0,477.0480000000002,29.0,2.0,CN(C)C(=O)C(CCN1CCC(O)(CC1)C1C=CC(Cl)=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1,2.150756439860309,Loperamide hydrochloride
CN(C)C(=O)C1=CC=CC(=C1O)C1C=CC=CC=1,1900.0,4.0,2.0,0.0,241.29,15.0,2.0,CN(C)C(=O)C1=CC=CC(=C1O)C1C=CC=CC=1,3.278753600952829,"Salicylamide, N,N-dimethyl-3-phenyl-"
CN(C)C(=O)C1C=CC(=CC=1S(=O)(=O)NC(=O)NC1N=C(C=C(N=1)OC)OC)NC=O,4926.0,4.0,1.0,0.0,452.4490000000002,17.0,7.0,CN(C)C(=O)C1C=CC(=CC=1S(=O)(=O)NC(=O)NC1N=C(C=C(N=1)OC)OC)NC=O,3.6924944075030846,Foramsulfuron
CN(C)C(=O)C1CC(CN1)SC1C(C)C2C(C(C)O)C(=O)N2C=1C(O)=O,7500.0,4.0,1.0,0.0,383.4700000000002,17.0,5.0,CN(C)C(=O)C1CC(CN1)SC1C(C)C2C(C(C)O)C(=O)N2C=1C(O)=O,3.8750612633917,Meropenem trihydrate
CN(C)C(=O)C1SC(=NC=1C1C=CC=CC=1)C1=CN=CC=C1,1035.0,4.0,2.0,0.0,309.394,17.0,1.0,CN(C)C(=O)C1SC(=NC=1C1C=CC=CC=1)C1=CN=CC=C1,3.0149403497929366,"5-Thiazolecarboxamide, N,N-dimethyl-4-phenyl-2-(3-pyridinyl)-, monohydrochloride"
CN(C)C(=O)C=C,316.0,1.0,2.0,0.0,99.133,5.0,1.0,CN(C)C(=O)C=C,2.499687082618404,"N,N-Dimethylacrylamide"
CN(C)C(=O)CCCCCCCC=C,550.0,4.0,1.0,0.0,197.322,12.0,1.0,CN(C)C(=O)CCCCCCCC=C,2.7403626894942437,"9-Decenamide, N,N-dimethyl-"
CN(C)C(=O)CCCOC(=O)C(C)(C)OC1C=CC(Cl)=CC=1,2485.0,4.0,2.0,0.0,327.808,16.0,4.0,CN(C)C(=O)CCCOC(=O)C(C)(C)OC1C=CC(Cl)=CC=1,3.395326393069351,Clofibride
CN(C)C(=O)CCNC1C=CC(Br)=CC=1,1810.0,4.0,3.0,0.0,271.158,11.0,1.0,CN(C)C(=O)CCNC1C=CC(Br)=CC=1,3.2576785748691846,
CN(C)C(=O)COC(=O)CC1C=CC(=CC=1)OC(=O)C1C=CC(=CC=1)NC(N)=N,3000.0,4.0,1.0,0.0,398.419,20.0,5.0,CN(C)C(=O)COC(=O)CC1C=CC(=CC=1)OC(=O)C1C=CC(=CC=1)NC(N)=N,3.4771212547196626,Camostat
CN(C)C(=O)Cl,1000.0,1.0,2.0,0.0,107.54,3.0,1.0,CN(C)C(=O)Cl,3.0,Dimethylcarbamoyl chloride
CN(C)C(=O)N(C)C,794.0,2.0,2.0,0.0,116.164,5.0,1.0,CN(C)C(=O)N(C)C,2.8998205024270964,Tetramethylurea
CN(C)C(=O)N(C1=CC(Cl)=C(Cl)C=C1)C(=O)C1C=CC=CC=1,7500.0,4.0,2.0,0.0,337.206,16.0,2.0,CN(C)C(=O)N(C1=CC(Cl)=C(Cl)C=C1)C(=O)C1C=CC=CC=1,3.8750612633917,Phenobenzuron
CN(C)C(=O)N1N=C(N=C1SCC(=O)OCC)C(C)(C)C,125.0,4.0,3.0,0.0,314.41100000000006,13.0,3.0,CN(C)C(=O)N1N=C(N=C1SCC(=O)OCC)C(C)(C)C,2.0969100130080562,Triazamate
CN(C)C(=O)NC1=CC(=CC=C1)OC(F)(F)C(F)F,1265.0,4.0,3.0,0.0,280.22099999999995,11.0,2.0,CN(C)C(=O)NC1=CC(=CC=C1)OC(F)(F)C(F)F,3.1020905255118367,Tetrafluron
CN(C)C(=O)NC1=CC(Cl)=C(Cl)C=C1,1468.0,4.0,2.0,0.0,233.098,9.0,1.0,CN(C)C(=O)NC1=CC(Cl)=C(Cl)C=C1,3.166726055580052,Diuron
CN(C)C(=O)NC1C=C(C=CC=1)C(F)(F)F,5446.0,4.0,2.0,0.0,232.20499999999996,10.0,1.0,CN(C)C(=O)NC1C=C(C=CC=1)C(F)(F)F,3.736077637003946,Fluometuron
CN(C)C(=O)NC1C=C(C=CC=1)OC(=O)NC(C)(C)C,3000.0,4.0,3.0,0.0,279.34,14.0,3.0,CN(C)C(=O)NC1C=C(C=CC=1)OC(=O)NC(C)(C)C,3.4771212547196626,Karbutilate
CN(C)C(=O)NC1C=C(ON=1)C(C)(C)C,630.0,4.0,2.0,0.0,211.26499999999996,10.0,2.0,CN(C)C(=O)NC1C=C(ON=1)C(C)(C)C,2.7993405494535817,Isouron
CN(C)C(=O)NC1C=CC(=CC=1)OC1C=CC(Cl)=CC=1,3350.0,4.0,2.0,0.0,290.75,15.0,2.0,CN(C)C(=O)NC1C=CC(=CC=1)OC1C=CC(Cl)=CC=1,3.525044807036845,Chloroxuron
CN(C)C(=O)NC1C=CC(CC2C=CC(=CC=2)NC(=O)N(C)C)=CC=1,5000.0,4.0,2.0,0.0,340.427,19.0,2.0,CN(C)C(=O)NC1C=CC(CC2C=CC(=CC=2)NC(=O)N(C)C)=CC=1,3.6989700043360187,"Urea, N,N''-(methylenedi-4,1-phenylene)bis[N',N'-dimethyl-"
CN(C)C(=O)NC1C=CC(Cl)=CC=1,1476.0,4.0,2.0,0.0,198.653,9.0,1.0,CN(C)C(=O)NC1C=CC(Cl)=CC=1,3.1690863574870227,Monuron
CN(C)C(=O)NC1C=CC=CC=1,6313.0,4.0,2.0,0.0,164.208,9.0,1.0,CN(C)C(=O)NC1C=CC=CC=1,3.800235789327354,Fenuron
CN(C)C(=O)NC1CC2CC1C1CCCC21,3500.0,4.0,2.0,0.0,222.3319999999999,13.0,1.0,CN(C)C(=O)NC1CC2CC1C1CCCC21,3.5440680443502757,Norea
CN(C)C(=O)NC1CCCCCCC1,1500.0,4.0,2.0,0.0,198.30999999999992,11.0,1.0,CN(C)C(=O)NC1CCCCCCC1,3.1760912590556813,Cycluron
CN(C)C(=O)OC1=CC(C)=NN1C(C)C,4057.0,4.0,2.0,0.0,211.265,10.0,2.0,CN(C)C(=O)OC1=CC(C)=NN1C(C)C,3.6082050077043264,Isolane
CN(C)C(=O)OC1=CC(C)=NN1C1C=CC=CC=1,62.0,4.0,2.0,0.0,245.28200000000004,13.0,2.0,CN(C)C(=O)OC1=CC(C)=NN1C1C=CC=CC=1,1.792391689498254,Pyrolan
CN(C)C(=O)OC1C=C(C=CC=1)[N+](C)(C)C,51.0,4.0,2.0,0.0,223.29599999999996,12.0,2.0,CN(C)C(=O)OC1C=C(C=CC=1)[N+](C)(C)C,1.7075701760979363,Neostigmine methylsulfate
CN(C)C(=O)OC1C=CC=NC=1,99.0,4.0,2.0,0.0,166.17999999999998,8.0,2.0,CN(C)C(=O)OC1C=CC=NC=1,1.99563519459755,Norpyridostigmine
CN(C)C(=O)OC1C=[N+](C)C=CC=1,37.5,4.0,2.0,0.0,181.21499999999995,9.0,2.0,CN(C)C(=O)OC1C=[N+](C)C=CC=1,1.5740312677277188,Pyridostigmine bromide
CN(C)C(=O)OC1CC(C)(C)CC(=O)C=1,120.0,4.0,2.0,0.0,211.2609999999999,11.0,3.0,CN(C)C(=O)OC1CC(C)(C)CC(=O)C=1,2.0791812460476247,Dimetan
CN(C)C(=O)SCCCCOC1C=CC=CC=1,1150.0,4.0,2.0,0.0,253.367,13.0,2.0,CN(C)C(=O)SCCCCOC1C=CC=CC=1,3.060697840353612,Fenothiocarb
CN(C)C(=S)N(C)C,920.0,2.0,2.0,0.0,132.232,5.0,0.0,CN(C)C(=S)N(C)C,2.963787827345555,"1,1,3,3-Tetramethyl-2-thiourea"
CN(C)C(=S)N=NCC1=CC=C(O1)[N+]([O-])=O,750.0,4.0,2.0,0.0,242.26,8.0,3.0,CN(C)C(=S)N=NCC1=CC=C(O1)[N+]([O-])=O,2.8750612633917,"2-Furaldehyde, 5-nitro-, 4,4-dimethyl-3-thiosemicarbazone"
CN(C)C(=S)SC(=S)N(C)C,756.0,4.0,2.0,0.0,208.377,6.0,0.0,CN(C)C(=S)SC(=S)N(C)C,2.8785217955012063,Tetramethylthiuram monosulfide
CN(C)C(=S)SCCCS(O)(=O)=O,7500.0,4.0,2.0,0.0,243.37499999999997,6.0,3.0,CN(C)C(=S)SCCCS(O)(=O)=O,3.8750612633917,"N,N-Dimethyldithiocarbamylpropylsulfonic acid, sodium salt"
CN(C)C(=S)SCN1CCOCC1,1500.0,4.0,2.0,0.0,220.36299999999991,8.0,1.0,CN(C)C(=S)SCN1CCOCC1,3.1760912590556813,Carbamorph
CN(C)C(=S)SSC(=S)N(C)C,2575.0,4.0,2.0,0.0,240.444,6.0,0.0,CN(C)C(=S)SSC(=S)N(C)C,3.41077723337721,Thiram
CN(C)C(=S)SSC(=S)NCCNC(=S)SSC(=S)N(C)C,3000.0,4.0,2.0,0.0,450.81800000000015,10.0,0.0,CN(C)C(=S)SSC(=S)NCCNC(=S)SSC(=S)N(C)C,3.4771212547196626,Tecoram
CN(C)C(C)(C)CO,1712.0,2.0,2.0,0.0,117.19199999999998,6.0,1.0,CN(C)C(C)(C)CO,3.2335037603411343,"1-Propanol, 2-(dimethylamino)-2-methyl-, hydrochloride"
CN(C)C(C)CN1C2C=C(C=CC=2SC2C=CC=CC1=2)C(=O)CC,500.0,4.0,1.0,0.0,340.492,20.0,1.0,CN(C)C(C)CN1C2C=C(C=CC=2SC2C=CC=CC1=2)C(=O)CC,2.6989700043360187,
CN(C)C(C)CN1C2N=CC=CC=2SC2C=CC=CC1=2,1220.0,4.0,2.0,0.0,285.416,16.0,0.0,CN(C)C(C)CN1C2N=CC=CC=2SC2C=CC=CC1=2,3.0863598306747484,Isothipendyl
CN(C)C(CC1C=CC(C)=CC=1)(CC)C(=O)C1C=CC(=CC=1)N1CCOCC1,3500.0,4.0,0.0,0.0,380.53200000000015,24.0,2.0,CN(C)C(CC1C=CC(C)=CC=1)(CC)C(=O)C1C=CC(=CC=1)N1CCOCC1,3.5440680443502757,CERAPP_48650
CN(C)C(CC1C=CC=CC=1)(CC)C(=O)C1C=CC(=CC=1)N1CCOCC1,7500.0,4.0,0.0,0.0,366.5050000000001,23.0,2.0,CN(C)C(CC1C=CC=CC=1)(CC)C(=O)C1C=CC(=CC=1)N1CCOCC1,3.8750612633917,2-Benzyl-2-(dimethylamino)-1-[4-(morpholin-4-yl)phenyl]butan-1-one
CN(C)C(CSC#N)CSC#N,82.0,4.0,2.0,0.0,201.32,7.0,0.0,CN(C)C(CSC#N)CSC#N,1.9138138523837167,"Thiocyanic acid, 2-(dimethylamino)trimethylene ester"
CN(C)C(CSC(N)=O)CSC(N)=O,237.5,4.0,2.0,0.0,237.34999999999997,7.0,2.0,CN(C)C(CSC(N)=O)CSC(N)=O,2.3756636139608855,Cartap hydrochloride
CN(C)C(CSS(=O)(=O)C1C=CC=CC=1)CSS(=O)(=O)C1C=CC=CC=1,1105.0,4.0,1.0,0.0,431.62600000000015,17.0,4.0,CN(C)C(CSS(=O)(=O)C1C=CC=CC=1)CSS(=O)(=O)C1C=CC=CC=1,3.0433622780211294,Bensultap
CN(C)C(CSS(O)(=O)=O)CSS(O)(=O)=O,333.0,4.0,2.0,0.0,311.42800000000005,5.0,6.0,CN(C)C(CSS(O)(=O)=O)CSS(O)(=O)=O,2.5224442335063197,Thiosultap-sodium
CN(C)C(N)=O,3500.0,1.0,2.0,0.0,88.11,3.0,1.0,CN(C)C(N)=O,3.5440680443502757,"1,1-Dimethylurea"
CN(C)C(OC)OC,6251.0,2.0,2.0,0.0,119.164,5.0,2.0,CN(C)C(OC)OC,3.7959494989028033,"Methanamine, 1,1-dimethoxy-N,N-dimethyl-"
CN(C)C(S)=S,1515.0,1.0,2.0,0.0,121.23,3.0,0.0,CN(C)C(S)=S,3.180412632838324,Dimethyldithiocarbamic acid
CN(C)C1=CC2=[S+]C3C=C(C=CC=3N=C2C=C1)N(C)C,1180.0,4.0,2.0,0.0,284.408,16.0,0.0,CN(C)C1=CC2=[S+]C3C=C(C=CC=3N=C2C=C1)N(C)C,3.0718820073061255,Methylene Blue trihydrate
CN(C)C1=CC2C(=O)OC(C=2C=C1)(C1C=CC(=CC=1)N(C)C)C1C=CC(=CC=1)N(C)C,3500.0,4.0,0.0,0.0,415.53700000000015,26.0,2.0,CN(C)C1=CC2C(=O)OC(C=2C=C1)(C1C=CC(=CC=1)N(C)C)C1C=CC(=CC=1)N(C)C,3.5440680443502757,Crystal Violet lactone
CN(C)C1=CC=C(N)C2C=CC=CC=21,400.0,4.0,2.0,0.0,186.258,12.0,0.0,CN(C)C1=CC=C(N)C2C=CC=CC=21,2.6020599913279625,"1,4-Naphthalenediamine, N1,N1-dimethyl-, hydrochloride (1:2)"
CN(C)C1=NC(=O)N(C2CCCCC2)C(=O)N1C,1445.0,4.0,3.0,0.0,252.31799999999993,12.0,2.0,CN(C)C1=NC(=O)N(C2CCCCC2)C(=O)N1C,3.1598678470925665,Hexazinone
CN(C)C1=NC2=CC=C(C)C=C2N2C(=O)C(CCC)C(=O)N21,1800.0,4.0,3.0,0.0,300.3620000000001,16.0,2.0,CN(C)C1=NC2=CC=C(C)C=C2N2C(=O)C(CCC)C(=O)N21,3.255272505103306,Azapropazone
CN(C)C1=NC2C=C(Cl)C=CC=2O1,800.0,4.0,2.0,0.0,196.637,9.0,1.0,CN(C)C1=NC2C=C(Cl)C=CC=2O1,2.9030899869919438,"Benzoxazole, 5-chloro-2-dimethylamino-"
CN(C)C1=NC2C=CC(=CC=2S1)OCCN(CC)CC,880.0,4.0,2.0,0.0,293.43600000000004,15.0,1.0,CN(C)C1=NC2C=CC(=CC=2S1)OCCN(CC)CC,2.9444826721501687,Diamthazole dihydrochloride
CN(C)C1C(=O)N(C2C=CC=CC=2)N(C)C=1C,285.0,4.0,2.0,0.0,231.29900000000004,13.0,1.0,CN(C)C1C(=O)N(C2C=CC=CC=2)N(C)C=1C,2.45484486000851,4-Dimethylaminoantipyrine
CN(C)C1C(O)C(OC(C)C1O)OC1C(CC(C)C(=O)C=CC(C)=CC(COC2OC(C)C(O)C(OC)C2OC)C(CC)OC(=O)CC(O)C1C)CCN1CC(C)CC(C)C1,838.0,1.0,1.0,3.0,869.1470000000002,46.0,13.0,CN(C)C1C(O)C(OC(C)C1O)OC1C(CC(C)C(=O)C=CC(C)=CC(COC2OC(C)C(O)C(OC)C2OC)C(CC)OC(=O)CC(O)C1C)CCN1CC(C)CC(C)C1,2.9232440186302764,Tilmicosin
CN(C)C1C2C(O)C3C(C(=O)C2(O)C(=O)C(C(N)=O)C1=O)C(=O)C1=C(C3=C)C(Cl)=CC=C1O,3500.0,3.0,2.0,0.0,476.8690000000002,22.0,8.0,CN(C)C1C2C(O)C3C(C(=O)C2(O)C(=O)C(C(N)=O)C1=O)C(=O)C1=C(C3=C)C(Cl)=CC=C1O,3.5440680443502757,Meclocycline
CN(C)C1C2C(O)C3C(C(=O)C4=C(C=CC=C4O)C3=C)C(=O)C2(O)C(=O)C(C(N)=O)C1=O,3500.0,3.0,2.0,0.0,442.42400000000015,22.0,8.0,CN(C)C1C2C(O)C3C(C(=O)C4=C(C=CC=C4O)C3=C)C(=O)C2(O)C(=O)C(C(N)=O)C1=O,3.5440680443502757,Methacycline hydrochloride
CN(C)C1C2CC3C(C(=O)C2(O)C(=O)C(C(N)=O)C1=O)C(=O)C1=C(C3O)C(Cl)=CC=C1O,4494.0,3.0,2.0,0.0,464.8580000000002,21.0,8.0,CN(C)C1C2CC3C(C(=O)C2(O)C(=O)C(C(N)=O)C1=O)C(=O)C1=C(C3O)C(Cl)=CC=C1O,3.65263306808311,Demeclocycline hydrochloride
CN(C)C1C2CC3CC4=C(C(=O)C3C(=O)C2(O)C(=O)C(C(N)=O)C1=O)C(O)=CC=C4N(C)C,2380.0,3.0,1.0,0.0,457.48300000000023,23.0,7.0,CN(C)C1C2CC3CC4=C(C(=O)C3C(=O)C2(O)C(=O)C(C(N)=O)C1=O)C(O)=CC=C4N(C)C,3.376576957056512,Minocycline
CN(C)C1C=CC(/C=C/C2=[N+](C)C3=CC=CC=C3C2(C)C)=CC=1,822.0,4.0,1.0,0.0,305.445,21.0,0.0,CN(C)C1C=CC(/C=C/C2=[N+](C)C3=CC=CC=C3C2(C)C)=CC=1,2.9148718175400505,"3H-Indolium, 2-[2-[4-(dimethylamino)phenyl]ethenyl]-1,3,3-trimethyl-, phosphate (1:1)"
CN(C)C1C=CC(=CC=1)C(=N)C1C=CC(=CC=1)N(C)C,3000.0,4.0,2.0,0.0,267.376,17.0,0.0,CN(C)C1C=CC(=CC=1)C(=N)C1C=CC(=CC=1)N(C)C,3.4771212547196626,Auramine hydrochloride
CN(C)C1C=CC(=CC=1)C(C1C2=CC=C(C=C2C=C(C=1O)S(O)(=O)=O)S(O)(=O)=O)=C1C=CC(C=C1)=[N+](C)C,3500.0,2.0,0.0,1.0,555.6540000000002,27.0,7.0,CN(C)C1C=CC(=CC=1)C(C1C2=CC=C(C=C2C=C(C=1O)S(O)(=O)=O)S(O)(=O)=O)=C1C=CC(C=C1)=[N+](C)C,3.5440680443502757,Acid green 50
CN(C)C1C=CC(=CC=1)C(C1C=CC(=CC=1)N(C)C)C1C=CC(=CC=1)N(C)C,7500.0,4.0,0.0,1.0,373.5440000000001,25.0,0.0,CN(C)C1C=CC(=CC=1)C(C1C=CC(=CC=1)N(C)C)C1C=CC(=CC=1)N(C)C,3.8750612633917,Leucogentian violet
CN(C)C1C=CC(=CC=1)C(C1C=CC(NC2C=CC=CC=2)=C2C=CC=CC2=1)=C1C=CC(C=C1)=[N+](C)C,983.0,2.0,0.0,1.0,470.6400000000001,33.0,0.0,CN(C)C1C=CC(=CC=1)C(C1C=CC(NC2C=CC=CC=2)=C2C=CC=CC2=1)=C1C=CC(C=C1)=[N+](C)C,2.9925535178321354,"Methanaminium, N-[4-[[4-(dimethylamino)phenyl][4-(phenylamino)-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, acetate"
CN(C)C1C=CC(=CC=1)C(C1C=CC=CC=1)=C1C=CC(C=C1)=[N+](C)C,383.0,4.0,2.0,0.0,329.467,23.0,0.0,CN(C)C1C=CC(=CC=1)C(C1C=CC=CC=1)=C1C=CC(C=C1)=[N+](C)C,2.583198773968623,"Dimethyl(4-((4-(dimethylamino)phenyl)benzylidene)-2,5-cyclohexadien-1-ylidene)ammonium hydroxide"
CN(C)C1C=CC(=CC=1)C(O)(C1C=CC(=CC=1)N(C)C)C1C=CC(=CC=1)N(C)C,770.0,4.0,0.0,0.0,389.54300000000006,25.0,1.0,CN(C)C1C=CC(=CC=1)C(O)(C1C=CC(=CC=1)N(C)C)C1C=CC(=CC=1)N(C)C,2.886490725172482,C.I.Solvent Violet 9
CN(C)C1C=CC(=CC=1)C(O)(C1C=CC(NC2C=CC=CC=2)=C2C=CC=CC=12)C1C=CC(=CC=1)N(C)C,2375.0,1.0,0.0,1.0,487.6470000000001,33.0,1.0,CN(C)C1C=CC(=CC=1)C(O)(C1C=CC(NC2C=CC=CC=2)=C2C=CC=CC=12)C1C=CC(=CC=1)N(C)C,3.3756636139608855,"1-Naphthalenemethanol, .alpha.,.alpha.-bis[4-(dimethylamino)phenyl]-4-(phenylamino)-"
CN(C)C1C=CC(=CC=1)C1=NC(=O)N(C)N=C1C1C=CC(=CC=1)N(C)C,3000.0,4.0,2.0,0.0,349.43800000000005,20.0,1.0,CN(C)C1C=CC(=CC=1)C1=NC(=O)N(C)N=C1C1C=CC(=CC=1)N(C)C,3.4771212547196626,Metrazifone
CN(C)C1C=CC(=CC=1)N=NC1C=CC(=CC=1)S(O)(=O)=O,60.0,4.0,3.0,0.0,305.359,14.0,3.0,CN(C)C1C=CC(=CC=1)N=NC1C=CC(=CC=1)S(O)(=O)=O,1.7781512503836436,"Benzenesulfonic acid, 4-[2-[4-(dimethylamino)phenyl]diazenyl]-, sodium salt (1:1)"
CN(C)C1C=CC(=CC=1)N=NC1C=CC=CC=1,200.0,4.0,1.0,0.0,225.295,14.0,0.0,CN(C)C1C=CC(=CC=1)N=NC1C=CC=CC=1,2.3010299956639813,4-(Dimethylamino)azobenzene
CN(C)C1C=CC(=CC=1)N=NS(O)(=O)=O,60.0,4.0,2.0,0.0,229.261,8.0,3.0,CN(C)C1C=CC(=CC=1)N=NS(O)(=O)=O,1.7781512503836436,Fenaminosulf parent
CN(C)C1C=CC(=CC=1)SC#N,500.0,4.0,2.0,0.0,178.26,9.0,0.0,CN(C)C1C=CC(=CC=1)SC#N,2.6989700043360187,4-(Dimethylamino)phenylthiocyanate
CN(C)C1C=CC(C=O)=CC=1,3500.0,3.0,2.0,0.0,149.19299999999998,9.0,1.0,CN(C)C1C=CC(C=O)=CC=1,3.5440680443502757,4-Dimethylaminobenzaldehyde
CN(C)C1C=CC(N)=CC=1,70.5,3.0,2.0,0.0,136.19799999999998,8.0,0.0,CN(C)C1C=CC(N)=CC=1,1.8481891169913987,"1,4-Benzenediamine, N1,N1-dimethyl-, hydrochloride (1:1)"
CN(C)C1C=CC=CC=1,1240.0,3.0,2.0,0.0,121.18299999999996,8.0,0.0,CN(C)C1C=CC=CC=1,3.093421685162235,"N,N-Dimethylaniline hydrochloride"
CN(C)C1C=CN=CC=1,122.0,1.0,2.0,0.0,122.17099999999996,7.0,0.0,CN(C)C1C=CN=CC=1,2.0863598306747484,"N,N-dimethylpyridin-4-amine"
CN(C)C1CC(C)OC(OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)N(C)CC(C)CC2(C)O)C1O,2751.0,1.0,1.0,3.0,748.9960000000001,38.0,12.0,CN(C)C1CC(C)OC(OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)N(C)CC(C)CC2(C)O)C1O,3.4394905903896835,Azithromycin
CN(C)C1CC(C2=CC=CC=C21)C1C=CC=CC=1,176.0,4.0,1.0,0.0,237.346,17.0,0.0,CN(C)C1CC(C2=CC=CC=C21)C1C=CC=CC=1,2.24551266781415,
CN(C)C1CCCCC1,280.0,3.0,2.0,0.0,127.231,8.0,0.0,CN(C)C1CCCCC1,2.4471580313422194,Cyclohexyldimethylammonium dihydrogen phosphate
CN(C)C1CSSC1,420.0,2.0,2.0,0.0,149.284,5.0,0.0,CN(C)C1CSSC1,2.6232492903979003,
CN(C)C1CSSSC1,195.0,4.0,2.0,0.0,181.351,5.0,0.0,CN(C)C1CSSSC1,2.290034611362518,Thiocyclam
CN(C)C1N=C(N=C(N=1)N(C)C)N(C)C,350.0,4.0,1.0,0.0,210.285,9.0,0.0,CN(C)C1N=C(N=C(N=1)N(C)C)N(C)C,2.5440680443502757,Hexamethylmelamine
CN(C)C=NC1=C(I)C(CCC(O)=O)=C(I)C=C1I,1030.0,3.0,1.0,1.0,597.9600000000002,12.0,2.0,CN(C)C=NC1=C(I)C(CCC(O)=O)=C(I)C=C1I,3.012837224705172,Ipodic acid
CN(C)C=NC1C(I)=C(CCC(O)=O)C(I)=CC=1I,2500.0,3.0,1.0,1.0,597.9600000000002,12.0,2.0,CN(C)C=NC1C(I)=C(CCC(O)=O)C(I)=CC=1I,3.3979400086720375,Ipodate sodium
CN(C)C=O,3462.0,1.0,2.0,0.0,73.095,3.0,1.0,CN(C)C=O,3.539327063539375,"N,N-Dimethylformamide"
CN(C)CC#N,50.0,1.0,2.0,0.0,84.122,4.0,0.0,CN(C)CC#N,1.6989700043360187,Dimethylaminoacetonitrile
CN(C)CC(=O)N1C2=CC=CC=C2CCC2C=CC(=CC1=2)/N=C(O)/OCC,78.0,4.0,1.0,0.0,367.4490000000001,21.0,3.0,CN(C)CC(=O)N1C2=CC=CC=C2CCC2C=CC(=CC1=2)/N=C(O)/OCC,1.8920946026904804,
CN(C)CC(=O)N=NCC1=C(C)N=C2SC=CN21,1500.0,4.0,3.0,0.0,265.342,11.0,1.0,CN(C)CC(=O)N=NCC1=C(C)N=C2SC=CN21,3.1760912590556813,"Glycine, N,N-dimethyl-, ((6-methylimidazo(2,1-b)thiazol-5-yl)methylene)hydrazide"
CN(C)CC(C)CN1C2=CC=CC=C2CCC2C=CC=CC1=2,800.0,4.0,2.0,0.0,294.442,20.0,0.0,CN(C)CC(C)CN1C2=CC=CC=C2CCC2C=CC=CC1=2,2.9030899869919438,
CN(C)CC(C)CN1C2=CC=CC=C2SC2C=CC=CC1=2,210.0,4.0,2.0,0.0,298.45500000000004,18.0,0.0,CN(C)CC(C)CN1C2=CC=CC=C2SC2C=CC=CC1=2,2.322219294733919,Trimeprazine
CN(C)CC(C)CN1C2C=C(C=CC=2SC2C=CC=CC1=2)OC,1100.0,4.0,1.0,0.0,328.481,19.0,1.0,CN(C)CC(C)CN1C2C=C(C=CC=2SC2C=CC=CC1=2)OC,3.041392685158225,Methotrimeprazine maleate
CN(C)CC(C)CN1C2C=CC=CC=2CCC2C=CC=CC1=2,800.0,4.0,2.0,0.0,294.442,20.0,0.0,CN(C)CC(C)CN1C2C=CC=CC=2CCC2C=CC=CC1=2,2.9030899869919438,Trimipramine maleate
CN(C)CC(O)=O,2787.5,1.0,2.0,0.0,103.12099999999998,4.0,2.0,CN(C)CC(O)=O,3.445214876056217,"Glycine, N,N-dimethyl-"
CN(C)CC/C=C1/C2=CC=CC=C2CCC2C=CC=CC=2/1,320.0,4.0,2.0,0.0,277.411,20.0,0.0,CN(C)CC/C=C1/C2=CC=CC=C2CCC2C=CC=CC=2/1,2.505149978319906,Amitriptyline
CN(C)CC1=CC(CN(C)C)=C(O)C(CN(C)C)=C1,1927.0,4.0,2.0,0.0,265.40099999999995,15.0,1.0,CN(C)CC1=CC(CN(C)C)=C(O)C(CN(C)C)=C1,3.284881714655453,"2,4,6-Tris(dimethylaminomethyl)phenol"
CN(C)CC1C(O)=C(Br)C=C2C=1C(=C(CSC1C=CC=CC=1)N2C)C(=O)OCC,3000.0,4.0,0.0,1.0,477.4240000000002,22.0,3.0,CN(C)CC1C(O)=C(Br)C=C2C=1C(=C(CSC1C=CC=CC=1)N2C)C(=O)OCC,3.4771212547196626,
CN(C)CC1C=CC=CC=1,265.0,3.0,2.0,0.0,135.20999999999998,9.0,0.0,CN(C)CC1C=CC=CC=1,2.423245873936808,"N,N-Dimethylbenzylamine"
CN(C)CC1CCCCC1(O)C1=CC(=CC=C1)OC,228.0,4.0,2.0,0.0,263.3809999999999,16.0,2.0,CN(C)CC1CCCCC1(O)C1=CC(=CC=C1)OC,2.357934847000454,Tramadol hydrochloride
CN(C)CC=C(C1=CN=CC=C1)C1C=CC(Br)=CC=1,900.0,4.0,2.0,0.0,317.22999999999996,16.0,0.0,CN(C)CC=C(C1=CN=CC=C1)C1C=CC(Br)=CC=1,2.9542425094393248,Zimeldine dihydrochloride hydrate
CN(C)CCC#N,1945.0,1.0,2.0,0.0,98.149,5.0,0.0,CN(C)CCC#N,3.2889196056617265,Dimethylaminopropionitrile HCl
CN(C)CCC(C)N(C)C,750.0,3.0,1.0,0.0,144.26199999999997,8.0,0.0,CN(C)CCC(C)N(C)C,2.8750612633917,"N,N,N',N'-Tetramethyl-1,3-butanediamine"
CN(C)CCC(C1=CC=CC=N1)C1C=CC(Cl)=CC=1,306.0,4.0,2.0,0.0,274.795,16.0,0.0,CN(C)CCC(C1=CC=CC=N1)C1C=CC(Cl)=CC=1,2.48572142648158,Chlorpheniramine hydrochloride
CN(C)CCC(C1C=CC=CN=1)C1C=CC(Br)=CC=1,318.0,4.0,2.0,0.0,319.246,16.0,0.0,CN(C)CCC(C1C=CC=CN=1)C1C=CC(Br)=CC=1,2.5024271199844326,Brompheniramine maleate
CN(C)CCC(C1C=CC=CN=1)C1C=CC(Cl)=CC=1,153.0,4.0,2.0,0.0,274.795,16.0,0.0,CN(C)CCC(C1C=CC=CN=1)C1C=CC(Cl)=CC=1,2.184691430817599,
CN(C)CCC(C1C=CC=CN=1)C1C=CC=CC=1,520.0,4.0,2.0,0.0,240.35,16.0,0.0,CN(C)CCC(C1C=CC=CN=1)C1C=CC=CC=1,2.716003343634799,Pheniramine
CN(C)CCC1(C=CC2=CC=CC=C12)C1C=CC=CC=1,385.0,4.0,2.0,0.0,263.384,19.0,0.0,CN(C)CCC1(C=CC2=CC=CC=C12)C1C=CC=CC=1,2.5854607295085006,
CN(C)CCC1OC2C=CC=CC=2NC2C=CC=CC=21,1400.0,4.0,2.0,0.0,268.36,17.0,1.0,CN(C)CCC1OC2C=CC=CC=2NC2C=CC=CC=21,3.146128035678238,
CN(C)CCC=C1C2=CC=CC=C2CSC2C=CC=CC=21,450.0,4.0,2.0,0.0,295.451,19.0,0.0,CN(C)CCC=C1C2=CC=CC=C2CSC2C=CC=CC=21,2.6532125137753435,Dothiepin
CN(C)CCC=C1C2=CC=CC=C2SC2C=CC(Cl)=CC=21,268.0,4.0,2.0,1.0,315.869,18.0,0.0,CN(C)CCC=C1C2=CC=CC=C2SC2C=CC(Cl)=CC=21,2.428134794028789,Chlorprothixene
CN(C)CCC=C1C2C=CC=CC=2C(C)(C)C2C=CC=CC=21,170.0,4.0,2.0,0.0,291.438,21.0,0.0,CN(C)CCC=C1C2C=CC=CC=2C(C)(C)C2C=CC=CC=21,2.230448921378274,Melitracen hydrochloride
CN(C)CCC=C1C2C=CC=CC=2CCC2C=CC=CC=21,433.0,4.0,2.0,0.0,277.411,20.0,0.0,CN(C)CCC=C1C2C=CC=CC=2CCC2C=CC=CC=21,2.6364878963533656,Amitriptyline hydrochloride
CN(C)CCC=C1C2C=CC=CC=2COC2C=CC=CC=21,147.0,4.0,2.0,0.0,279.383,19.0,1.0,CN(C)CCC=C1C2C=CC=CC=2COC2C=CC=CC=21,2.167317334748176,Doxepin hydrochloride
CN(C)CCC=C1C2C=CC=CC=2CS(=O)C2SC=CC=21,319.0,4.0,2.0,0.0,317.479,17.0,1.0,CN(C)CCC=C1C2C=CC=CC=2CS(=O)C2SC=CC=21,2.503790683057181,
CN(C)CCC=C1C2C=CC=CC=2CSC2C=CC=CC=21,260.0,4.0,2.0,0.0,295.451,19.0,0.0,CN(C)CCC=C1C2C=CC=CC=2CSC2C=CC=CC=21,2.4149733479708178,Dothiepin hydrochloride
CN(C)CCCC(CCC1=CC2OCOC=2C=C1)CCC1=CC2OCOC=2C=C1,1228.0,4.0,0.0,0.0,397.5150000000002,24.0,4.0,CN(C)CCCC(CCC1=CC2OCOC=2C=C1)CCC1=CC2OCOC=2C=C1,3.089198366805149,"1,3-Benzodioxole-5-hexanamine, delta-(2-(1,3-benzodioxol-5-yl)ethyl)-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (salt)"
CN(C)CCCCCCN(C)C,312.0,4.0,1.0,0.0,172.316,10.0,0.0,CN(C)CCCCCCN(C)C,2.494154594018443,"N,N,N',N`-Tetramethylhexanediamine"
CN(C)CCCCOC1C=CC=CC=1C=CC1C=CC=CC=1,3500.0,4.0,1.0,0.0,295.42600000000004,20.0,1.0,CN(C)CCCCOC1C=CC=CC=1C=CC1C=CC=CC=1,3.5440680443502757,
CN(C)CCCN,1157.0,2.0,2.0,0.0,102.181,5.0,0.0,CN(C)CCCN,3.0633333589517497,"Formic acid, compd. with N1,N1-dimethyl-1,3-propanediamine (1:1)"
CN(C)CCCN(C)C,548.0,3.0,1.0,0.0,130.235,7.0,0.0,CN(C)CCCN(C)C,2.738780558484369,"N,N,N',N'-Tetramethyl-1,3-propanediamine"
CN(C)CCCN(CC(C)O)CC(C)O,2200.0,4.0,1.0,0.0,218.341,11.0,2.0,CN(C)CCCN(CC(C)O)CC(C)O,3.342422680822206,CERAPP_42649
CN(C)CCCN1C(C(SC2=CC=CC=C12)C(C)O)C1C=CC=CC=1,800.0,4.0,0.0,0.0,356.535,21.0,1.0,CN(C)CCCN1C(C(SC2=CC=CC=C12)C(C)O)C1C=CC=CC=1,2.9030899869919438,
CN(C)CCCN1C2=CC(Cl)=CC=C2CCC2C=CC=CC1=2,613.0,4.0,2.0,0.0,314.86,19.0,0.0,CN(C)CCCN1C2=CC(Cl)=CC=C2CCC2C=CC=CC1=2,2.787460474518415,Clomipramine
CN(C)CCCN1C2=CC=CC=C2C(C)(C)C2C=CC=CC1=2,1760.5,4.0,1.0,0.0,294.442,20.0,0.0,CN(C)CCCN1C2=CC=CC=C2C(C)(C)C2C=CC=CC1=2,3.245636029406203,Dimetacrine
CN(C)CCCN1C2=CC=CC=C2C2CCCCCCC1=2,775.0,4.0,2.0,0.0,284.44700000000006,19.0,0.0,CN(C)CCCN1C2=CC=CC=C2C2CCCCCCC1=2,2.88930170250631,Iprindole
CN(C)CCCN1C2=CC=CC=C2CCC2=CC=CC=C12,250.0,4.0,2.0,0.0,280.415,19.0,0.0,CN(C)CCCN1C2=CC=CC=C2CCC2=CC=CC=C12,2.3979400086720375,Imipramine
CN(C)CCCN1C2=CC=CC=C2SC2=CC=C(C=C12)C(F)(F)F,185.0,4.0,1.0,1.0,352.42500000000007,18.0,0.0,CN(C)CCCN1C2=CC=CC=C2SC2=CC=C(C=C12)C(F)(F)F,2.2671717284030137,Triflupromazine hydrochloride
CN(C)CCCN1C2=CC=CC=C2SC2=CC=CC=C12,350.0,4.0,2.0,0.0,284.42800000000005,17.0,0.0,CN(C)CCCN1C2=CC=CC=C2SC2=CC=CC=C12,2.5440680443502757,
CN(C)CCCN1C2=CC=CC=C2SC2C=CC(=CC1=2)OC,730.0,4.0,1.0,0.0,314.454,18.0,1.0,CN(C)CCCN1C2=CC=CC=C2SC2C=CC(=CC1=2)OC,2.863322860120456,Methoxypromazine
CN(C)CCCN1C2=CC=CC=C2SC2C=CC=CC1=2,375.0,4.0,2.0,0.0,284.42800000000005,17.0,0.0,CN(C)CCCN1C2=CC=CC=C2SC2C=CC=CC1=2,2.574031267727719,Promazine hydrochloride
CN(C)CCCN1C2C=C(C=CC=2SC2C=CC=CC1=2)C(=O)CC,500.0,4.0,1.0,0.0,340.49199999999996,20.0,1.0,CN(C)CCCN1C2C=C(C=CC=2SC2C=CC=CC1=2)C(=O)CC,2.6989700043360187,Propionylpromazine hydrochloride
CN(C)CCCN1C2C=C(C=CC=2SC2C=CC=CC1=2)C(C)=O,400.0,4.0,1.0,0.0,326.465,19.0,1.0,CN(C)CCCN1C2C=C(C=CC=2SC2C=CC=CC1=2)C(C)=O,2.6020599913279625,Acetopromazine maleate
CN(C)CCCN1C2C=CC=CC=2CCC2C=CC(Cl)=CC1=2,914.0,4.0,2.0,0.0,314.86,19.0,0.0,CN(C)CCCN1C2C=CC=CC=2CCC2C=CC(Cl)=CC1=2,2.960946195733831,Clomipramine hydrochloride
CN(C)CCCN1C2C=CC=CC=2CCC2C=CC=CC1=2,305.0,4.0,2.0,0.0,280.415,19.0,0.0,CN(C)CCCN1C2C=CC=CC=2CCC2C=CC=CC1=2,2.484299839346786,Imipramine hydrochloride
CN(C)CCCN1C2C=CC=CC=2SC2C=CC(Cl)=CC1=2,206.25,4.0,2.0,0.0,318.8730000000001,17.0,0.0,CN(C)CCCN1C2C=CC=CC=2SC2C=CC(Cl)=CC1=2,2.3143939572219625,Chlorpromazine
CN(C)CCCN1CCN(CC1)C1=CC=C(C=C1)OC,787.0,4.0,2.0,0.0,277.4119999999999,16.0,1.0,CN(C)CCCN1CCN(CC1)C1=CC=C(C=C1)OC,2.8959747323590648,CL 71366
CN(C)CCCN1CN(CN(C1)CCCN(C)C)CCCN(C)C,3724.0,4.0,2.0,0.0,342.57600000000014,18.0,0.0,CN(C)CCCN1CN(CN(C1)CCCN(C)C)CCCN(C)C,3.571009672309305,"1,3,5-Triazine-1,3,5(2H,4H,6H)-tripropanamine, N,N,N',N',N'',N''-hexamethyl-"
CN(C)CCCNC(=O)CCCCCCCCC=C,2362.0,4.0,2.0,0.0,268.445,16.0,1.0,CN(C)CCCNC(=O)CCCCCCCCC=C,3.373279893277496,N-[3-(Dimethylamino)propyl]undec-10-enamide
CN(C)CCCNC(=O)NCCCN(C)C,5126.0,4.0,1.0,0.0,230.35599999999997,11.0,1.0,CN(C)CCCNC(=O)NCCCN(C)C,3.709778601848225,"N,N'-Bis[3-(dimethylamino)propyl]urea"
CN(C)CCCNCCC#N,2284.0,3.0,1.0,0.0,155.245,8.0,0.0,CN(C)CCCNCCC#N,3.3586960995738107,3-{[3-(Dimethylamino)propyl]amino}propanenitrile
CN(C)CCCNCCCN,1638.0,3.0,1.0,0.0,159.277,8.0,0.0,CN(C)CCCNCCCN,3.2143138974244,Dimethyldipropylenetriamine
CN(C)CCCNCCCN(C)C,1985.0,4.0,1.0,0.0,187.331,10.0,0.0,CN(C)CCCNCCCN(C)C,3.297760511099134,"N'-[3-(Dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine"
CN(C)CCCO,1812.0,2.0,2.0,0.0,103.165,5.0,1.0,CN(C)CCCO,3.2581581933407944,"1-Propanol, 3-(dimethylamino)-"
CN(C)CCCOC1=NN(C2=CC=CC=C21)C1C=CC(=CC=1)C(=O)OCCCC,1000.0,4.0,0.0,0.0,395.503,23.0,3.0,CN(C)CCCOC1=NN(C2=CC=CC=C21)C1C=CC(=CC=1)C(=O)OCCCC,3.0,"Benzoic acid, p-(3-(3-(dimethylamino)propoxy)-1H-indazol-1-yl)-, butyl ester"
CN(C)CCCOC1=NN(CC2C=CC=CC=2)C2C=CC=CC=21,845.0,4.0,2.0,0.0,309.413,19.0,1.0,CN(C)CCCOC1=NN(CC2C=CC=CC=2)C2C=CC=CC=21,2.926856708949692,Benzydamine hydrochloride
CN(C)CCCSC1C=CC=CC=1NC(=O)C=CC1C=CC=CC=1,1500.0,4.0,1.0,0.0,340.4920000000001,20.0,1.0,CN(C)CCCSC1C=CC=CC=1NC(=O)C=CC1C=CC=CC=1,3.1760912590556813,
CN(C)CCC[Si](OC)(OC)OC,3500.0,4.0,1.0,0.0,207.346,8.0,3.0,CN(C)CCC[Si](OC)(OC)OC,3.5440680443502757,"1-Propanamine, N,N-dimethyl-3-(trimethoxysilyl)-, acetate (1:1)"
CN(C)CCCl,238.0,1.0,2.0,0.0,107.584,4.0,0.0,CN(C)CCCl,2.376576957056512,(2-Chloroethyl)dimethylamine hydrochloride
CN(C)CCN,1135.0,0.0,2.0,0.0,88.15400000000001,4.0,0.0,CN(C)CCN,3.0549958615291417,"1,2-Ethanediamine, N,N-dimethyl-"
CN(C)CCN(C)C,760.0,2.0,2.0,0.0,116.208,6.0,0.0,CN(C)CCN(C)C,2.8808135922807914,"N,N,N',N'-Tetramethylethylenediamine"
CN(C)CCN(C)CCO,2801.0,2.0,1.0,0.0,146.234,7.0,1.0,CN(C)CCN(C)CCO,3.4473131088235682,2-{[2-(Dimethylamino)ethyl](methyl)amino}ethanol
CN(C)CCN(C)N1C=C(C2C=C(C)C=CC1=2)C1C=CC=CC=1,3500.0,4.0,1.0,0.0,307.4410000000001,20.0,0.0,CN(C)CCN(C)N1C=C(C2C=C(C)C=CC1=2)C1C=CC=CC=1,3.5440680443502757,
CN(C)CCN(CC1=CC=CS1)C1C=CC=CN=1,200.0,4.0,2.0,0.0,261.394,14.0,0.0,CN(C)CCN(CC1=CC=CS1)C1C=CC=CN=1,2.3010299956639813,Methapyrilene hydrochloride
CN(C)CCN(CC1=CSC=C1)C1=CC=CC=N1,525.0,4.0,2.0,0.0,261.394,14.0,0.0,CN(C)CCN(CC1=CSC=C1)C1=CC=CC=N1,2.720159303405957,Thenyldiamine hydrochloride
CN(C)CCN(CC1C=CC(=CC=1)OC)C1C=CC=CN=1,731.5,4.0,2.0,0.0,285.391,17.0,1.0,CN(C)CCN(CC1C=CC(=CC=1)OC)C1C=CC=CN=1,2.8642143304613294,Pyrilamine
CN(C)CCN(CC1C=CC(Cl)=CC=1)C1=CC=CC=N1,920.0,4.0,2.0,0.0,289.81,16.0,0.0,CN(C)CCN(CC1C=CC(Cl)=CC=1)C1=CC=CC=N1,2.963787827345555,Chloropyramine [INN:BAN:DCF]
CN(C)CCN(CC1C=CC=CC=1)C1=CC=CC=N1,469.0,4.0,2.0,0.0,255.36500000000004,16.0,0.0,CN(C)CCN(CC1C=CC=CC=1)C1=CC=CC=N1,2.6711728427150834,Tripelennamine citrate
CN(C)CCN(CC1C=CC=CC=1)C1C=CC=CC=1,300.0,4.0,2.0,0.0,254.37700000000004,17.0,0.0,CN(C)CCN(CC1C=CC=CC=1)C1C=CC=CC=1,2.4771212547196626,Phenbenzamine
CN(C)CCN1C(=O)C(OC(C)=O)C(SC2C=CC=CC1=2)C1C=CC(=CC=1)OC,560.0,4.0,1.0,0.0,414.52700000000016,22.0,4.0,CN(C)CCN1C(=O)C(OC(C)=O)C(SC2C=CC=CC1=2)C1C=CC(=CC=1)OC,2.7481880270062002,Diltiazem hydrochloride
CN(C)CCN1C(=O)C2=CC=CC=C2NC2C=C(Cl)C=CC1=2,242.0,4.0,2.0,0.0,315.80400000000003,17.0,1.0,CN(C)CCN1C(=O)C2=CC=CC=C2NC2C=C(Cl)C=CC1=2,2.383815365980431,
CN(C)CCN1C(=O)C2C=CC=CC=2N(C)C2C=CC=CC1=2,220.0,4.0,3.0,0.0,295.386,18.0,1.0,CN(C)CCN1C(=O)C2C=CC=CC=2N(C)C2C=CC=CC1=2,2.342422680822206,Dibenzepin
CN(C)CCN1C2=CC=CC(=C2C(=O)C2=CC=CC=C12)[N+]([O-])=O,41.0,4.0,3.0,0.0,311.341,17.0,3.0,CN(C)CCN1C2=CC=CC(=C2C(=O)C2=CC=CC=C12)[N+]([O-])=O,1.6127838567197355,
CN(C)CCN1N=NN=C1SCC1CSC2C(NC(=O)CC3=CSC(N)=N3)C(=O)N2C=1C(O)=O,10001.0,2.0,1.0,3.0,525.6420000000002,18.0,4.0,CN(C)CCN1N=NN=C1SCC1CSC2C(NC(=O)CC3=CSC(N)=N3)C(=O)N2C=1C(O)=O,4.000043427276863,Cefotiam
CN(C)CCNC1=NC=NC2=CC=CC=C21,670.0,4.0,2.0,0.0,216.288,12.0,0.0,CN(C)CCNC1=NC=NC2=CC=CC=C21,2.8260748027008264,"Quinazoline, 4-((2-(dimethylamino)ethyl)amino)-"
CN(C)CCNN,2110.0,1.0,2.0,0.0,103.169,4.0,0.0,CN(C)CCNN,3.3242824552976926,"Ethanamine, 2-hydrazino-N,N-dimethyl-"
CN(C)CCO,1360.0,0.0,2.0,0.0,89.13799999999999,4.0,1.0,CN(C)CCO,3.1335389083702174,"Formic acid, compd. with 2-(dimethylamino)ethanol (1:1)"
CN(C)CCOC(=O)C(C1C=CC=CC=1)C1(O)CCCC1,4000.0,4.0,2.0,0.0,291.39100000000013,17.0,3.0,CN(C)CCOC(=O)C(C1C=CC=CC=1)C1(O)CCCC1,3.6020599913279625,Cyclopentolate
CN(C)CCOC(=O)C(O)(C1C=CC=CC=1)C1C=CC=CC=1,1035.0,4.0,2.0,0.0,299.37,18.0,3.0,CN(C)CCOC(=O)C(O)(C1C=CC=CC=1)C1C=CC=CC=1,3.0149403497929366,Benzacin hydrochloride
CN(C)CCOC(=O)C=C,455.0,2.0,2.0,0.0,143.18599999999998,7.0,2.0,CN(C)CCOC(=O)C=C,2.6580113966571126,2-(Dimethylamino)ethyl acrylate
CN(C)CCOC(=O)COC1C=CC(Cl)=CC=1,1732.5,4.0,2.0,0.0,257.717,12.0,3.0,CN(C)CCOC(=O)COC1C=CC(Cl)=CC=1,3.2386732432838445,Meclofenoxate
CN(C)CCOC(C1C=CC=CC=1)C1C=CC=CC=1,445.0,4.0,2.0,0.0,255.361,17.0,1.0,CN(C)CCOC(C1C=CC=CC=1)C1C=CC=CC=1,2.6483600109809315,Diphenhydramine citrate [USP]
CN(C)CCOC1=CC2C=CC=CC=2SC2=CC=C(Cl)C=C21,306.0,4.0,2.0,0.0,331.8680000000001,18.0,1.0,CN(C)CCOC1=CC2C=CC=CC=2SC2=CC=C(Cl)C=C21,2.48572142648158,Zotepine
CN(C)CCOC1C=CC(=CC=1)C(=C(CCCl)C1C=CC=CC=1)C1C=CC=CC=1,2350.0,3.0,0.0,1.0,405.969,26.0,1.0,CN(C)CCOC1C=CC(=CC=1)C(=C(CCCl)C1C=CC=CC=1)C1C=CC=CC=1,3.3710678622717363,Toremifene
CN(C)CCOC1C=CC=CC=1CC1C=CC=CC=1,1436.0,4.0,2.0,0.0,255.361,17.0,1.0,CN(C)CCOC1C=CC=CC=1CC1C=CC=CC=1,3.1571544399062814,Phenyltoloxamine citrate
CN(C)CCOCCN(C)C,658.0,4.0,1.0,0.0,160.261,8.0,1.0,CN(C)CCOCCN(C)C,2.8182258936139557,Bis[2-(dimethylamino)ethyl]ether
CN(C)CCOCCN(C)CCO,1364.0,3.0,1.0,0.0,190.287,9.0,2.0,CN(C)CCOCCN(C)CCO,3.13481437032046,2-[{2-[2-(Dimethylamino)ethoxy]ethyl}(methyl)amino]ethanol
CN(C)CCOCCO,2570.0,1.0,1.0,0.0,133.191,6.0,2.0,CN(C)CCOCCO,3.4099331233312946,2-[2-(Dimethylamino)ethoxy]ethanol
CN(C)CCOCCOC(=O)N1C2=CC=CC=C2SC2=CC=CC=C12,1500.0,4.0,0.0,0.0,358.4630000000001,19.0,3.0,CN(C)CCOCCOC(=O)N1C2=CC=CC=C2SC2=CC=CC=C12,3.1760912590556813,Dimethoxanate
CN(C)N,159.0,0.0,2.0,0.0,60.099999999999994,2.0,0.0,CN(C)N,2.2013971243204513,"Hydrazine, 1,1-dimethyl-, hydrochloride"
CN(C)N=NC1C=CC(=CC=1)C(O)=O,320.0,4.0,2.0,0.0,193.206,9.0,2.0,CN(C)N=NC1C=CC(=CC=1)C(O)=O,2.505149978319906,"1-(4'-Carboxyphenyl)-3,3-dimethyltriazene"
CN(C)N=NC1C=CC(F)=CC=1,326.0,4.0,2.0,0.0,167.18699999999998,8.0,0.0,CN(C)N=NC1C=CC(F)=CC=1,2.513217600067939,
CN(C)N=NC1C=CC=CC=1,310.0,3.0,2.0,0.0,149.19699999999995,8.0,0.0,CN(C)N=NC1C=CC=CC=1,2.4913616938342726,"1-Phenyl-3,3-dimethyltriazene"
CN(C)N=NC1N=CNC=1C(N)=O,2147.0,4.0,2.0,0.0,182.187,6.0,1.0,CN(C)N=NC1N=CNC=1C(N)=O,3.331832044436249,Dacarbazine
CN(C)N=O,35.5,1.0,2.0,0.0,74.083,2.0,1.0,CN(C)N=O,1.550228353055094,N-Nitrosodimethylamine
CN(C)NC(=O)CCC(O)=O,7950.0,2.0,2.0,0.0,160.173,6.0,3.0,CN(C)NC(=O)CCC(O)=O,3.9003671286564705,Daminozide
CN(C)P(=O)(F)N(C)C,1.22,2.0,2.0,0.0,154.125,4.0,1.0,CN(C)P(=O)(F)N(C)C,0.08635983067474821,Dimefox
CN(C)P(=O)(N(C)C)N(C)C,2650.0,4.0,1.0,0.0,179.204,6.0,1.0,CN(C)P(=O)(N(C)C)N(C)C,3.423245873936808,Hexamethylphosphoramide
CN(C)P(=O)(N1N=C(N=C1N)C1C=CC=CC=1)N(C)C,20.0,4.0,2.0,0.0,294.2990000000001,12.0,1.0,CN(C)P(=O)(N1N=C(N=C1N)C1C=CC=CC=1)N(C)C,1.3010299956639813,Triamiphos
CN(C)P(=O)(OP(=O)(N(C)C)N(C)C)N(C)C,19.0,4.0,2.0,0.0,286.25300000000004,8.0,3.0,CN(C)P(=O)(OP(=O)(N(C)C)N(C)C)N(C)C,1.2787536009528289,Schradan
CN(C)S(=O)(=O)C1=CC2C(=CCCN3CCN(C)CC3)C3=CC=CC=C3SC=2C=C1,720.0,4.0,1.0,0.0,443.63800000000026,23.0,2.0,CN(C)S(=O)(=O)C1=CC2C(=CCCN3CCN(C)CC3)C3=CC=CC=C3SC=2C=C1,2.8573324964312685,Thiothixene
CN(C)S(=O)(=O)C1C=C(Cl)C(N)=CC=1Cl,4087.0,4.0,3.0,0.0,269.153,8.0,2.0,CN(C)S(=O)(=O)C1C=C(Cl)C(N)=CC=1Cl,3.6114046377115936,"Benzenesulfonamide, 4-amino-2,5-dichloro-N,N-dimethyl-"
CN(C)S(=O)(=O)C1C=CC(=CC=1)N=NC1=CC=C(C=C1S(=O)(=O)NCC[N+]1C=CC=CC=1)N(CC)CC,5125.0,2.0,1.0,1.0,545.7110000000002,25.0,4.0,CN(C)S(=O)(=O)C1C=CC(=CC=1)N=NC1=CC=C(C=C1S(=O)(=O)NCC[N+]1C=CC=CC=1)N(CC)CC,3.7096938697277917,1-[2-({[5-Diethylamino)-2-{[4-(dimethylsulfamoyl)phenyl]diazenyl}phenyl]sulfonyl}amino)ethyl]pyridinium chloride
CN(C)S(=O)(=O)C1C=CC(=CC=1)OP(=S)(OC)OC,37.0,4.0,2.0,0.0,325.348,10.0,5.0,CN(C)S(=O)(=O)C1C=CC(=CC=1)OP(=S)(OC)OC,1.568201724066995,Famphur
CN(C)S(=O)(=O)CCCCCNC(=O)N(CCCl)N=O,250.0,4.0,2.0,0.0,328.82200000000006,10.0,4.0,CN(C)S(=O)(=O)CCCCCNC(=O)N(CCCl)N=O,2.3979400086720375,"1-Pentanesulfonamide, 5-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-N,N-dimethyl-"
CN(C)S(=O)(=O)Cl,1445.0,1.0,2.0,0.0,143.595,2.0,2.0,CN(C)S(=O)(=O)Cl,3.1598678470925665,"Sulfamoyl chloride, dimethyl-"
CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)C1C=CC(C)=CC=1,3125.0,4.0,2.0,0.0,347.2640000000001,10.0,2.0,CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)C1C=CC(C)=CC=1,3.494850021680094,Tolylfluanid
CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)C1C=CC=CC=1,500.0,4.0,3.0,0.0,333.237,9.0,2.0,CN(C)S(=O)(=O)N(SC(F)(Cl)Cl)C1C=CC=CC=1,2.6989700043360187,Dichlofluanid
CN(C)S(=O)(=O)N1C(=C(Cl)N=C1C#N)C1C=CC(C)=CC=1,7500.0,4.0,3.0,0.0,324.79300000000006,13.0,2.0,CN(C)S(=O)(=O)N1C(=C(Cl)N=C1C#N)C1C=CC(C)=CC=1,3.8750612633917,Cyazofamid
CN(C)[N+]([O-])=O,1095.0,1.0,2.0,0.0,90.082,2.0,2.0,CN(C)[N+]([O-])=O,3.0394141191761372,Dimethylnitramine
CN(C)[SiH](N(C)C)N(C)C,594.0,3.0,1.0,0.0,161.325,6.0,0.0,CN(C)[SiH](N(C)C)N(C)C,2.7737864449811935,"Silanetriamine, N,N,N',N',N'',N''-hexamethyl-"
CN(C1=C(I)C(=C(I)C(=C1I)C(=O)NC(CO)C(O)CO)C(=O)NC(CO)C(O)CO)C(=O)CC(=O)N(C)C1=C(I)C(=C(I)C(=C1I)C(=O)NC(CO)C(O)CO)C(=O)NC(CO)C(O)CO,10001.0,0.0,1.0,3.0,1626.2390000000007,37.0,18.0,CN(C1=C(I)C(=C(I)C(=C1I)C(=O)NC(CO)C(O)CO)C(=O)NC(CO)C(O)CO)C(=O)CC(=O)N(C)C1=C(I)C(=C(I)C(=C1I)C(=O)NC(CO)C(O)CO)C(=O)NC(CO)C(O)CO,4.000043427276863,Iotrolan
CN(C1C(Br)=CC(Br)=CC=1Br)C1C(=CC(=CC=1C(F)(F)F)[N+]([O-])=O)[N+]([O-])=O,3.0,2.0,1.0,2.0,577.9330000000003,14.0,4.0,CN(C1C(Br)=CC(Br)=CC=1Br)C1C(=CC(=CC=1C(F)(F)F)[N+]([O-])=O)[N+]([O-])=O,0.47712125471966244,Bromethalin
CN(C1C=CC(=CC=1)[N+]([O-])=O)C(=O)CCl,1100.0,4.0,2.0,0.0,228.635,9.0,3.0,CN(C1C=CC(=CC=1)[N+]([O-])=O)C(=O)CCl,3.041392685158225,2-chloro-N-methyl-N-(4-nitrophenyl)acetamide
CN(C1C=CC=CC=1)P(=O)(OCC)OCC,41.0,4.0,1.0,0.0,243.243,11.0,3.0,CN(C1C=CC=CC=1)P(=O)(OCC)OCC,1.6127838567197355,"Phosphoramidic acid, methylphenyl-, diethyl ester"
CN(C1C=CC=CC=1)S(=O)(=O)C1C=C2C=CC(N)=C(N=NC3C=CC(=CC=3S(O)(=O)=O)NC(=O)CCl)C2=C(O)C=1,2751.0,2.0,0.0,1.0,604.066,25.0,7.0,CN(C1C=CC=CC=1)S(=O)(=O)C1C=C2C=CC(N)=C(N=NC3C=CC(=CC=3S(O)(=O)=O)NC(=O)CCl)C2=C(O)C=1,3.4394905903896835,"Benzenesulfonic acid, 2-[2-[2-amino-8-hydroxy-6-[(methylphenylamino)sulfonyl]-1-naphthalenyl]diazenyl]-5-[(2-chloroacetyl)amino]-, sodium salt (1:1)"
CN(C1CCCCC1)C1CCCCC1,446.0,4.0,1.0,0.0,195.3499999999999,13.0,0.0,CN(C1CCCCC1)C1CCCCC1,2.649334858712142,N-Cyclohexyl-N-methylcyclohexanamine
CN(C1CCN(CC1)C1=NC2=CC(OC)=C(C=C2C(N)=N1)OC)C(=O)OCC,1000.0,4.0,1.0,0.0,389.4560000000002,19.0,4.0,CN(C1CCN(CC1)C1=NC2=CC(OC)=C(C=C2C(N)=N1)OC)C(=O)OCC,3.0,"Carbamic acid, (1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-4-piperidinyl)methyl-, ethyl ester, hydrochloride"
CN(C1CCN(CCCCOC2C=CC(F)=CC=2)CC1)C1=NC2=CC=CC=C2S1,154.0,4.0,0.0,1.0,413.5620000000002,23.0,1.0,CN(C1CCN(CCCCOC2C=CC(F)=CC=2)CC1)C1=NC2=CC=CC=C2S1,2.187520720836463,R 56865
CN(C1CN(CC1)C1CCCCC1)C(=O)C1C=CC(N)=CC=1,422.0,4.0,3.0,0.0,301.43400000000014,18.0,1.0,CN(C1CN(CC1)C1CCCCC1)C(=O)C1C=CC(N)=CC=1,2.625312450961674,
CN(C1N=C(N)N=C(Cl)N=1)C1=CC=C2C(C=C(C(N=NC3C=CC4C(=CC=CC=4C=3S(O)(=O)=O)S(O)(=O)=O)=C2O)S(O)(=O)=O)=C1,8750.0,2.0,0.0,3.0,696.1009999999999,24.0,10.0,CN(C1N=C(N)N=C(Cl)N=1)C1=CC=C2C(C=C(C(N=NC3C=CC4C(=CC=CC=4C=3S(O)(=O)=O)S(O)(=O)=O)=C2O)S(O)(=O)=O)=C1,3.942008053022313,"1,5-Naphthalenedisulfonic acid, 2-[[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-, trisodium salt"
CN(C=NC1C=CC(C)=CC=1C)C=NC1C=CC(C)=CC=1C,550.0,4.0,2.0,0.0,293.41400000000004,19.0,0.0,CN(C=NC1C=CC(C)=CC=1C)C=NC1C=CC(C)=CC=1C,2.7403626894942437,Amitraz
CN(C=O)C(=O)CSP(=S)(OC)OC,234.0,4.0,2.0,0.0,257.27299999999997,6.0,4.0,CN(C=O)C(=O)CSP(=S)(OC)OC,2.369215857410143,Formothion
CN(CC#C)CC1C=CC=CC=1,275.0,3.0,2.0,0.0,159.232,11.0,0.0,CN(CC#C)CC1C=CC=CC=1,2.439332693830263,Pargyline hydrochloride
CN(CC#C)CCCOC1=CC=C(Cl)C=C1Cl,210.0,4.0,3.0,0.0,272.175,13.0,1.0,CN(CC#C)CCCOC1=CC=C(Cl)C=C1Cl,2.322219294733919,Clorgyline
CN(CC#N)N=O,45.0,1.0,2.0,0.0,99.093,3.0,1.0,CN(CC#N)N=O,1.6532125137753437,"Acetonitrile, 2(N-methyl-N-nitroso)amino-"
CN(CC(C)O)CC(C)O,2990.0,3.0,1.0,0.0,147.218,7.0,2.0,CN(CC(C)O)CC(C)O,3.4756711883244296,"2-Propanol, 1,1'-(methylimino)bis-"
CN(CC1(C)CCCO1)S(=O)(=O)C1C=C(C(Cl)=CC=1)S(N)(=O)=O,10000.0,4.0,1.0,0.0,382.89100000000013,13.0,5.0,CN(CC1(C)CCCO1)S(=O)(=O)C1C=C(C(Cl)=CC=1)S(N)(=O)=O,4.0,Mefruside
CN(CC1=C(Cl)C=CC=C1NC(=O)C1C=CC=CC=1)CC(=O)N1CCOCC1,4200.0,4.0,2.0,0.0,401.89400000000006,21.0,3.0,CN(CC1=C(Cl)C=CC=C1NC(=O)C1C=CC=CC=1)CC(=O)N1CCOCC1,3.6232492903979003,Fominoben hydrochloride
CN(CC1=CC(Br)=CC(Br)=C1N)C1CCCCC1,6000.0,4.0,1.0,0.0,376.13600000000025,14.0,0.0,CN(CC1=CC(Br)=CC(Br)=C1N)C1CCCCC1,3.7781512503836434,Bromhexine
CN(CC1=CC=CC2=CC=CC=C12)CC=CC#CC(C)(C)C,4125.0,4.0,2.0,0.0,291.438,21.0,0.0,CN(CC1=CC=CC2=CC=CC=C12)CC=CC#CC(C)(C)C,3.6154239528859438,Terbinafine hydrochloride
CN(CC1=CC=CC2C=CC=CC1=2)CC1C=CC(=CC=1)C(C)(C)C,4000.0,3.0,2.0,1.0,317.476,23.0,0.0,CN(CC1=CC=CC2C=CC=CC1=2)CC1C=CC(=CC=1)C(C)(C)C,3.6020599913279625,Butenafine
CN(CC1C=CC=CC=1)CC(=O)C1=CC(O)=CC=C1,7500.0,4.0,3.0,0.0,255.317,16.0,2.0,CN(CC1C=CC=CC=1)CC(=O)C1=CC(O)=CC=C1,3.8750612633917,Benzylphenylephrone
CN(CC1C=CC=CC=1)N=O,18.0,3.0,2.0,0.0,150.18099999999995,8.0,1.0,CN(CC1C=CC=CC=1)N=O,1.255272505103306,N-Nitrosomethylbenzylamine
CN(CC1C=NC2N=C(N)N=C(N)C=2N=1)C1C=CC(=CC=1)C(=O)NC(CCC(O)=O)C(O)=O,180.0,4.0,1.0,0.0,454.44700000000023,20.0,5.0,CN(CC1C=NC2N=C(N)N=C(N)C=2N=1)C1C=CC(=CC=1)C(=O)NC(CCC(O)=O)C(O)=O,2.255272505103306,Methotrexate
CN(CC=C)N=O,340.0,1.0,2.0,0.0,100.121,4.0,1.0,CN(CC=C)N=O,2.531478917042255,N-Nitroso-N-methylallylamine
CN(CCC#N)CCC#N,890.0,2.0,2.0,0.0,137.186,7.0,0.0,CN(CCC#N)CCC#N,2.949390006644913,"Propanenitrile, 3,3'-(methylimino)bis-"
CN(CCC(N)C/C(/O)=N/C1C=CC(OC1C(O)=O)N1C=CC(=N)N=C1O)C(N)=N,54.6,3.0,1.0,0.0,422.4460000000002,17.0,5.0,CN(CCC(N)C/C(/O)=N/C1C=CC(OC1C(O)=O)N1C=CC(=N)N=C1O)C(N)=N,1.7371926427047373,Blasticidin-S
CN(CCC1C=CC=CC=1)N=O,48.0,4.0,2.0,0.0,164.20799999999997,9.0,1.0,CN(CCC1C=CC=CC=1)N=O,1.6812412373755872,Nitroso-N-methyl-N-(2-phenyl)ethylamine
CN(CCCC(C#N)(C(C)C)C1C=C(OC)C(=CC=1)OC)CCC1C=C(OC)C(=CC=1)OC,137.0,2.0,0.0,1.0,454.6110000000002,27.0,4.0,CN(CCCC(C#N)(C(C)C)C1C=C(OC)C(=CC=1)OC)CCC1C=C(OC)C(=CC=1)OC,2.1367205671564067,Verapamil
CN(CCCCCC(O)=O)S(=O)(=O)C1C=CC=CC=1,3626.5,4.0,2.0,0.0,285.365,13.0,4.0,CN(CCCCCC(O)=O)S(=O)(=O)C1C=CC=CC=1,3.559487681797765,"Hexanoic acid, 6-[methyl(phenylsulfonyl)amino]-, compd. with 2-aminoethanol (1:1)"
CN(CCCCCCCCCC)CCCCCCCCCC,1150.0,3.0,1.0,1.0,311.59800000000007,21.0,0.0,CN(CCCCCCCCCC)CCCCCCCCCC,3.060697840353612,N-Methyldidecylamine
CN(CCCN)CCCN,668.0,3.0,1.0,0.0,145.25,7.0,0.0,CN(CCCN)CCCN,2.824776462475546,"N-(3-Aminopropyl)-N-methylpropane-1,3-diamine"
CN(CCCN1C2=CC=CC=C2CCC2C=CC=CC1=2)CC(=O)C1C=CC(Cl)=CC=1,4250.0,3.0,0.0,1.0,418.9680000000002,26.0,1.0,CN(CCCN1C2=CC=CC=C2CCC2C=CC=CC1=2)CC(=O)C1C=CC(Cl)=CC=1,3.6283889300503116,Lofepramine hydrochloride
CN(CCCNC(=O)CCCCCCCC=CCCCCCCCC)CCCNC(=O)CCCCCCCC=CCCCCCCCC,3500.0,0.0,0.0,2.0,674.1559999999998,43.0,2.0,CN(CCCNC(=O)CCCCCCCC=CCCCCCCCC)CCCNC(=O)CCCCCCCC=CCCCCCCCC,3.5440680443502757,"9-Octadecenamide, N,N'-[(methylimino)di-3,1-propanediyl]bis-, (9Z,9'Z)-"
CN(CCCl)C1C=CC(/C=C/C2=[N+](C)C3C=CC=CC=3C2(C)C)=CC=1,2260.0,4.0,0.0,1.0,353.91700000000014,22.0,0.0,CN(CCCl)C1C=CC(/C=C/C2=[N+](C)C3C=CC=CC=3C2(C)C)=CC=1,3.3541084391474008,"3H-Indolium, 2-[2-[4-[(2-chloroethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-, chloride (1:1)"
CN(CCCl)CCCl,10.0,1.0,2.0,0.0,156.056,5.0,0.0,CN(CCCl)CCCl,1.0,Nitrogen mustard hydrochloride
CN(CCN(C)C)CCN(C)C,1330.0,4.0,1.0,0.0,173.304,9.0,0.0,CN(CCN(C)C)CCN(C)C,3.123851640967086,"1,1,4,7,7-Pentamethyldiethylenetriamine"
CN(CCN1C=NC2=C1C(=O)N(C)C(=O)N2C)C1C=CC=CC=1,2880.0,4.0,3.0,0.0,313.361,16.0,2.0,CN(CCN1C=NC2=C1C(=O)N(C)C(=O)N2C)C1C=CC=CC=1,3.459392487759231,"1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-(methylphenylamino)ethyl)-"
CN(CCNCC1=CC(=CC(Br)=C1O)C(C)(C)C)CC/N=C(O)/C1=NC(Cl)=C(N)N=C1N,1000.0,2.0,1.0,1.0,528.8830000000003,21.0,2.0,CN(CCNCC1=CC(=CC(Br)=C1O)C(C)(C)C)CC/N=C(O)/C1=NC(Cl)=C(N)N=C1N,3.0,
CN(CCO)C(=S)NP(=S)(OC)OC,12.0,4.0,2.0,0.0,258.30499999999995,6.0,3.0,CN(CCO)C(=S)NP(=S)(OC)OC,1.0791812460476249,AI 3-27239
CN(CCO)C1C=CC=CC=1,2830.0,3.0,2.0,0.0,151.20899999999995,9.0,1.0,CN(CCO)C1C=CC=CC=1,3.45178643552429,"Ethanol, 2-(methylphenylamino)-"
CN(CCO)C1N=C(NC2C=C(C(C=CC3C=CC(=CC=3S(O)(=O)=O)NC3=NC(=NC(NC4C=CC=CC=4)=N3)N(C)CCO)=CC=2)S(O)(=O)=O)N=C(NC2C=CC=CC=2)N=1,7192.0,1.0,0.0,3.0,856.9480000000001,38.0,8.0,CN(CCO)C1N=C(NC2C=C(C(C=CC3C=CC(=CC=3S(O)(=O)=O)NC3=NC(=NC(NC4C=CC=CC=4)=N3)N(C)CCO)=CC=2)S(O)(=O)=O)N=C(NC2C=CC=CC=2)N=1,3.8568496787251725,"Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[(2-hydroxyethyl)methylamino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, disodium salt"
CN(CCO)CCO,3312.0,1.0,2.0,0.0,119.164,5.0,2.0,CN(CCO)CCO,3.5200903281128424,"Sulfuric acid, monomethyl ester, compd. with 2,2'-(methylimino)bis[ethanol] (1:1)"
CN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,2751.0,4.0,1.0,0.0,357.1939999999999,7.0,3.0,CN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,3.4394905903896835,"1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-N-(2-hydroxyethyl)-N-methyl-"
CN(CCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,2751.0,4.0,1.0,0.0,411.242,10.0,4.0,CN(CCOC(=O)C=C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,3.4394905903896835,"2-Propenoic acid, 2-[methyl[(nonafluorobutyl)sulfonyl]amino]ethyl ester"
CN(CCS(O)(=O)=O)C1=NC(=NC(NC2=CC(=C(C=C2)C=CC2C=CC(=CC=2S(O)(=O)=O)NC2=NC(=NC(=N2)N(C)CCS(O)(=O)=O)OCCOC)S(O)(=O)=O)=N1)OCCOC,10001.0,1.0,1.0,3.0,951.0100000000004,32.0,16.0,CN(CCS(O)(=O)=O)C1=NC(=NC(NC2=CC(=C(C=C2)C=CC2C=CC(=CC=2S(O)(=O)=O)NC2=NC(=NC(=N2)N(C)CCS(O)(=O)=O)OCCOC)S(O)(=O)=O)=N1)OCCOC,4.000043427276863,
CN(CN=O)C=C,24.0,1.0,2.0,0.0,100.121,4.0,1.0,CN(CN=O)C=C,1.380211241711606,N-Nitrosomethylvinylamine
CN(CO)C(=O)OC1=CC=CC2=CC=CC=C21,5360.0,4.0,2.0,0.0,231.25100000000003,13.0,3.0,CN(CO)C(=O)OC1=CC=CC2=CC=CC=C21,3.72916478969277,"Carbamic acid, (hydroxymethyl)methyl-, 1-naphthalenyl ester (9CI)"
CN(CO)C(S)=S,590.0,1.0,2.0,0.0,137.229,3.0,1.0,CN(CO)C(S)=S,2.7708520116421442,Potassium N-hydroxymethyl-N-methyldithiocarbamate
CN(N=NC1C=CC=CC=1)N=NC1C=CC=CC=1,212.0,4.0,1.0,0.0,239.282,13.0,0.0,CN(N=NC1C=CC=CC=1)N=NC1C=CC=CC=1,2.326335860928751,
CN(N=O)C(=N)N[N+]([O-])=O,90.0,0.0,2.0,0.0,147.094,2.0,3.0,CN(N=O)C(=N)N[N+]([O-])=O,1.954242509439325,N-Methyl-N'-nitro-N-nitrosoguanidine
CN(N=O)C(C)(C)C1C=CC=CC=1,2100.0,4.0,2.0,0.0,178.235,10.0,1.0,CN(N=O)C(C)(C)C1C=CC=CC=1,3.322219294733919,"Benzylamine, N-nitroso-alpha,alpha,N-trimethyl-"
CN(N=O)C(N)=O,110.0,1.0,2.0,0.0,103.081,2.0,2.0,CN(N=O)C(N)=O,2.041392685158225,N-Nitroso-N-methylurea
CN(N=O)C1=CC=NC=C1,200.0,1.0,2.0,0.0,137.142,6.0,1.0,CN(N=O)C1=CC=NC=C1,2.3010299956639813,4-Nitrosomethylaminopyridine
CN(N=O)C1C=CC(=CC=1)N=NC1C=CC=CC=1,1200.0,4.0,1.0,0.0,240.266,13.0,1.0,CN(N=O)C1C=CC(=CC=1)N=NC1C=CC=CC=1,3.0791812460476247,
CN(N=O)C1C=CC(=CC=1)N=O,1370.0,3.0,2.0,0.0,165.152,7.0,2.0,CN(N=O)C1C=CC(=CC=1)N=O,3.1367205671564067,"N-Methyl-N,4-dinitrosoaniline"
CN(N=O)C1C=CC=CC=1,225.0,2.0,2.0,0.0,136.15399999999997,7.0,1.0,CN(N=O)C1C=CC=CC=1,2.3521825181113627,Nitrosomethylaniline
CN(N=O)C1C=CC=CN=1,60.0,1.0,2.0,0.0,137.14199999999997,6.0,1.0,CN(N=O)C1C=CC=CN=1,1.7781512503836436,2-Nitrosomethylaminopyridine
CN(N=O)C1C=NC=CC=1,10.0,1.0,2.0,0.0,137.142,6.0,1.0,CN(N=O)C1C=NC=CC=1,1.0,3-Nitrosomethylaminopyridine
CN(N=O)C1CS(=O)(=O)CC1,750.0,4.0,2.0,0.0,178.21299999999997,5.0,3.0,CN(N=O)C1CS(=O)(=O)CC1,2.8750612633917,
CN(OC)C(=O)C1C(Cl)=C(Cl)C(=C(Cl)C=1Cl)C(=O)OC,1170.0,4.0,1.0,0.0,361.008,11.0,4.0,CN(OC)C(=O)C1C(Cl)=C(Cl)C(=C(Cl)C=1Cl)C(=O)OC,3.0681858617461617,"Methyl 2,3,5,6-tetrachloro-N-methoxy-N-methylterephthalamate"
CN(OC)C(=O)CC(SP(=S)(OC)OC)C(=O)N(C)OC,14.0,4.0,1.0,0.0,360.3940000000001,10.0,6.0,CN(OC)C(=O)CC(SP(=S)(OC)OC)C(=O)N(C)OC,1.146128035678238,
CN(SC1=CC=C(C=C1)[N+]([O-])=O)C(=O)OC1=CC=CC2CC(C)(C)OC=21,25.0,4.0,1.0,0.0,374.4180000000002,18.0,5.0,CN(SC1=CC=C(C=C1)[N+]([O-])=O)C(=O)OC1=CC=CC2CC(C)(C)OC=21,1.3979400086720377,"Carbamic acid, methyl((4-nitrophenyl)thio)-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester"
CN(SN(C)C(=O)ON=C(C)SC)C(=O)ON=C(C)SC,70.5,4.0,1.0,0.0,354.4790000000001,10.0,4.0,CN(SN(C)C(=O)ON=C(C)SC)C(=O)ON=C(C)SC,1.8481891169913987,Thiodicarb
CN(SN(CCC(=O)OCC)C(C)C)C(=O)OC1=CC=CC2CC(C)(C)OC1=2,155.0,4.0,0.0,0.0,410.53600000000023,20.0,5.0,CN(SN(CCC(=O)OCC)C(C)C)C(=O)OC1=CC=CC2CC(C)(C)OC1=2,2.1903316981702914,Benfuracarb
CN(SN(CCC(=O)OCC)CC1C=CC=CC=1)C(=O)ON=C(C)SC,330.0,4.0,0.0,0.0,399.5380000000002,17.0,4.0,CN(SN(CCC(=O)OCC)CC1C=CC=CC=1)C(=O)ON=C(C)SC,2.5185139398778875,Alanycarb
CN(SN(CCCC)CCCC)C(=O)OC1C=CC=C2CC(C)(C)OC2=1,94.5,4.0,0.0,1.0,380.55400000000014,20.0,3.0,CN(SN(CCCC)CCCC)C(=O)OC1C=CC=C2CC(C)(C)OC2=1,1.975431808509263,Carbosulfan
CN(SN1CCOCC1)C(=O)ON=C(C)SC,105.0,4.0,3.0,0.0,279.38700000000006,9.0,3.0,CN(SN1CCOCC1)C(=O)ON=C(C)SC,2.0211892990699383,
CN(SSC(C)(C)C)C(=O)ON=C1SCCS1,5.6,4.0,2.0,0.0,312.50700000000006,9.0,2.0,CN(SSC(C)(C)C)C(=O)ON=C1SCCS1,0.7481880270062004,"1,3-Dithiolan-2-one, O-((((1,1-dimethylethyl)dithio)methylamino)carbonyl)oxime"
CN/C(/C[N+]([O-])=O)=N/CCSCC1=CSC(CN(C)C)=N1,1653.0,4.0,2.0,0.0,331.4670000000001,12.0,2.0,CN/C(/C[N+]([O-])=O)=N/CCSCC1=CSC(CN(C)C)=N1,3.2182728535714475,Nizatidine
CN/C(/NCC1=CN=C(Cl)S1)=N[N+]([O-])=O,4126.0,4.0,2.0,0.0,249.683,6.0,2.0,CN/C(/NCC1=CN=C(Cl)S1)=N[N+]([O-])=O,3.615529223637133,Clothianidin
CN/C(/NCC1COCC1)=N/[N+]([O-])=O,2538.0,3.0,2.0,0.0,202.2139999999999,7.0,3.0,CN/C(/NCC1COCC1)=N/[N+]([O-])=O,3.404491617758686,Dinotefuran
CN1/C(=CC=CC2=[N+](C)C3=CC=CC=C3C2(C)C)/C(C)(C)C2C=CC=CC1=2,24.0,4.0,0.0,1.0,357.5210000000001,25.0,0.0,CN1/C(=CC=CC2=[N+](C)C3=CC=CC=C3C2(C)C)/C(C)(C)C2C=CC=CC1=2,1.380211241711606,C.I.Basic Red 12
CN1C(=C(/C=C/C2=[N+](C)C3C=CC=CC=3C2(C)C)C2C=CC=CC1=2)C1C=CC=CC=1,175.0,3.0,1.0,1.0,391.5380000000001,28.0,0.0,CN1C(=C(/C=C/C2=[N+](C)C3C=CC=CC=3C2(C)C)C2C=CC=CC1=2)C1C=CC=CC=1,2.2430380486862944,"3H-Indolium, 1,3,3-trimethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)ethenyl]-, chloride (1:1)"
CN1C(=C(/N=N/C2SC=C[N+]=2C)C2C=CC=CC1=2)C1C=CC=CC=1,3019.0,4.0,2.0,1.0,333.44000000000005,19.0,0.0,CN1C(=C(/N=N/C2SC=C[N+]=2C)C2C=CC=CC1=2)C1C=CC=CC=1,3.479863113023098,C.I. Basic Red 29
CN1C(=C(OC(=O)C(C)(C)C)C2SC(Cl)=CC=2S1(=O)=O)C(=O)NC1=CC=CC=N1,24.6,4.0,2.0,0.0,455.9450000000001,18.0,5.0,CN1C(=C(OC(=O)C(C)(C)C)C2SC(Cl)=CC=2S1(=O)=O)C(=O)NC1=CC=CC=N1,1.390935107103379,"Propanoic acid, 2,2-dimethyl-, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide"
CN1C(=C(OC(=O)C(C)(C)C)C2SC=CC=2S1(=O)=O)C(=O)NC1=CC=CC=N1,30.0,4.0,2.0,0.0,421.5000000000001,18.0,5.0,CN1C(=C(OC(=O)C(C)(C)C)C2SC=CC=2S1(=O)=O)C(=O)NC1=CC=CC=N1,1.4771212547196624,"Propanoic acid, 2,2-dimethyl-, 2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl ester, S,S-dioxide"
CN1C(=CC(C2C=CC=CC=2)=[N+]1C)C1C=CC=CC=1,338.0,4.0,2.0,0.0,249.337,17.0,0.0,CN1C(=CC(C2C=CC=CC=2)=[N+]1C)C1C=CC=CC=1,2.5289167002776547,Difenzoquat metilsulfate
CN1C(=CC=C2C(=O)N(N=C2C)C2C=CC=CC=2)C(C)(C)C2C=C(C=CC1=2)C(=O)OC,5000.0,4.0,0.0,0.0,415.4930000000001,25.0,3.0,CN1C(=CC=C2C(=O)N(N=C2C)C2C=CC=CC=2)C(C)(C)C2C=C(C=CC1=2)C(=O)OC,3.6989700043360187,"1H-Indole-5-carboxylic acid, 2-[2-(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)ethylidene]-2,3-dihydro-1,3,3-trimethyl-, methyl ester"
CN1C(=CC=O)C(C)(C)C2=CC=CC=C12,215.0,4.0,2.0,0.0,201.269,13.0,1.0,CN1C(=CC=O)C(C)(C)C2=CC=CC=C12,2.3324384599156054,"1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene acetaldehyde"
CN1C(=CN=C1C=CC1C=CN=C(N)N=1)[N+]([O-])=O,7600.0,4.0,2.0,0.0,246.23,10.0,2.0,CN1C(=CN=C1C=CC1C=CN=C(N)N=1)[N+]([O-])=O,3.8808135922807914,Azanidazole
CN1C(=NC2=CC=CC=C12)C1C=C(C)C2N=C(CCC)N(CC3C=CC(=CC=3)C3=CC=CC=C3C#N)C=2C=1,2751.0,1.0,0.0,1.0,495.6300000000003,33.0,0.0,CN1C(=NC2=CC=CC=C12)C1C=C(C)C2N=C(CCC)N(CC3C=CC(=CC=3)C3=CC=CC=C3C#N)C=2C=1,3.4394905903896835,2-Descarboxy-2-cyano telmisartan
CN1C(=NN(C1=O)C(=O)NS(=O)(=O)C1=CC=CC=C1C(=O)OC)OCCC,7500.0,4.0,1.0,0.0,398.3970000000002,15.0,7.0,CN1C(=NN(C1=O)C(=O)NS(=O)(=O)C1=CC=CC=C1C(=O)OC)OCCC,3.8750612633917,Propoxycarbazone-sodium
CN1C(=NN(C1=O)C(=O)NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)OC,7500.0,4.0,2.0,0.0,396.30300000000005,12.0,6.0,CN1C(=NN(C1=O)C(=O)NS(=O)(=O)C1=CC=CC=C1OC(F)(F)F)OC,3.8750612633917,Flucarbazone-sodium
CN1C(=O)C(=NC2N=CN=C3C=CC=CC3=2)C(C)N1C1C=CC=CC=1,369.0,4.0,3.0,0.0,331.3790000000001,19.0,1.0,CN1C(=O)C(=NC2N=CN=C3C=CC=CC3=2)C(C)N1C1C=CC=CC=1,2.56702636615906,Quinazopyrine
CN1C(=O)C(=NC=O)C(N)N(C)C1=O,6251.0,3.0,2.0,0.0,198.18199999999996,7.0,3.0,CN1C(=O)C(=NC=O)C(N)N(C)C1=O,3.7959494989028033,"6-Amino-5-formamido-1,3-dimethyluracil"
CN1C(=O)C(O)N=C(C2=CC(Cl)=CC=C12)C1=CC=CC=C1Cl,10000.0,4.0,3.0,0.0,335.1900000000001,16.0,2.0,CN1C(=O)C(O)N=C(C2=CC(Cl)=CC=C12)C1=CC=CC=C1Cl,4.0,
CN1C(=O)C(O)N=C(C2=CC(Cl)=CC=C12)C1C=CC=CC=1,3500.0,4.0,3.0,0.0,300.74500000000006,16.0,2.0,CN1C(=O)C(O)N=C(C2=CC(Cl)=CC=C12)C1C=CC=CC=1,3.5440680443502757,Temazepam
CN1C(=O)C2=C(N=CN2C)N(C)C1=O,280.0,3.0,2.0,0.0,194.194,8.0,2.0,CN1C(=O)C2=C(N=CN2C)N(C)C1=O,2.4471580313422194,"Caffeine, citrated"
CN1C(=O)C2=C(N=CN2CC(O)=O)N(C)C1=O,900.0,3.0,2.0,0.0,238.20299999999995,9.0,4.0,CN1C(=O)C2=C(N=CN2CC(O)=O)N(C)C1=O,2.9542425094393248,Acephylline
CN1C(=O)C2=C(N=CN2CC2OCCO2)N(C)C1=O,965.0,3.0,3.0,0.0,266.25699999999995,11.0,4.0,CN1C(=O)C2=C(N=CN2CC2OCCO2)N(C)C1=O,2.9845273133437926,Doxofylline
CN1C(=O)C2=C(N=CN2CC2SCCS2)N(C)C1=O,1835.0,4.0,3.0,0.0,298.39300000000003,11.0,2.0,CN1C(=O)C2=C(N=CN2CC2SCCS2)N(C)C1=O,3.263636068588108,Nestifylline
CN1C(=O)C2=C(N=CN2CCCCCN2CCN(CC2)C2C=C(C=CC=2)C(F)(F)F)N(C)C1=O,660.0,4.0,1.0,0.0,478.5190000000001,23.0,2.0,CN1C(=O)C2=C(N=CN2CCCCCN2CCN(CC2)C2C=C(C=CC=2)C(F)(F)F)N(C)C1=O,2.8195439355418688,"Theophylline, 7-(5-(4-(m-trifluoromethylphenyl)-1-piperazinyl)pentyl)-, dihydrochloride"
CN1C(=O)C2=C(N=CN2CCCCN2CCN(CC2)C2C=CC(F)=CC=2)N(C)C1=O,353.0,4.0,1.0,0.0,414.4850000000001,21.0,2.0,CN1C(=O)C2=C(N=CN2CCCCN2CCN(CC2)C2C=CC(F)=CC=2)N(C)C1=O,2.5477747053878224,"Theophylline, 7-(4-(4-(p-fluorophenyl)-1-piperazinyl)butyl)-, dihydrochloride"
CN1C(=O)C2=C(N=CN2CCO)N(C)C1=O,710.0,3.0,2.0,0.0,224.21999999999997,9.0,3.0,CN1C(=O)C2=C(N=CN2CCO)N(C)C1=O,2.8512583487190755,Etofylline
CN1C(=O)C2=C(N=CN2CCOC(=O)C(C)(C)OC2C=CC(Cl)=CC=2)N(C)C1=O,10001.0,4.0,1.0,0.0,420.8530000000001,19.0,5.0,CN1C(=O)C2=C(N=CN2CCOC(=O)C(C)(C)OC2C=CC(Cl)=CC=2)N(C)C1=O,4.000043427276863,Etofylline clofibrate
CN1C(=O)C2=NC(=O)NC2N(C)C1=O,3500.0,3.0,2.0,0.0,196.166,7.0,3.0,CN1C(=O)C2=NC(=O)NC2N(C)C1=O,3.5440680443502757,"1,3-Dimethyluric acid"
CN1C(=O)C2C(=NC(=O)N2C)N(C)C1=O,3500.0,3.0,2.0,0.0,210.193,8.0,3.0,CN1C(=O)C2C(=NC(=O)N2C)N(C)C1=O,3.5440680443502757,"1,3,7-Trimethyluric acid"
CN1C(=O)C2C=C(C=CC=2C1=O)[N+]([O-])=O,2800.0,4.0,2.0,0.0,206.157,9.0,4.0,CN1C(=O)C2C=C(C=CC=2C1=O)[N+]([O-])=O,3.4471580313422194,"2-Methyl-5-nitro-1H-isoindole-1,3(2H)-dione"
CN1C(=O)C2C=CC3=C4C=2C(=CC=C4C2C=CC4=C5C=2C3=CC=C5C(=O)N(C)C4=O)C1=O,6251.0,4.0,1.0,0.0,418.40800000000024,26.0,4.0,CN1C(=O)C2C=CC3=C4C=2C(=CC=C4C2C=CC4=C5C=2C3=CC=C5C(=O)N(C)C4=O)C1=O,3.7959494989028033,C.I. Pigment Red 179
CN1C(=O)C2NC=NC=2N(C)C1=O,253.0,3.0,2.0,0.0,180.16699999999997,7.0,2.0,CN1C(=O)C2NC=NC=2N(C)C1=O,2.403120521175818,Theophylline monohydrate
CN1C(=O)CC(=N)N(C)C1=O,6251.0,2.0,2.0,0.0,155.15699999999998,6.0,2.0,CN1C(=O)CC(=N)N(C)C1=O,3.7959494989028033,"2,4(1H,3H)-Pyrimidinedione, 6-amino-1,3-dimethyl-"
CN1C(=O)CN=C(C2C=C(Cl)C=CC1=2)C1C=CC=CC=1,327.0,4.0,3.0,0.0,284.74600000000004,16.0,1.0,CN1C(=O)CN=C(C2C=C(Cl)C=CC1=2)C1C=CC=CC=1,2.514547752660286,Diazepam
CN1C(=O)N(CC(C)=C)C(=N)CC1=O,1560.0,4.0,2.0,0.0,195.222,9.0,2.0,CN1C(=O)N(CC(C)=C)C(=N)CC1=O,3.1931245983544616,Amisometradine [INN:BAN:NF]
CN1C(=O)N(OC1=O)C1C=C(Cl)C(Cl)=CC=1,777.0,4.0,3.0,0.0,261.064,9.0,3.0,CN1C(=O)N(OC1=O)C1C=C(Cl)C(Cl)=CC=1,2.890421018800914,Methazole
CN1C(=O)OC(C)(C)C1=O,2140.0,1.0,2.0,0.0,143.142,6.0,3.0,CN1C(=O)OC(C)(C)C1=O,3.330413773349191,Trimethadione
CN1C(C(=NC2=CC=CC=N2)C2SC(Cl)=CC=2S1(=O)=O)C(=O)NC1=CC=CC=N1,30.0,4.0,2.0,0.0,447.92900000000014,18.0,3.0,CN1C(C(=NC2=CC=CC=N2)C2SC(Cl)=CC=2S1(=O)=O)C(=O)NC1=CC=CC=N1,1.4771212547196624,"2H-Thieno(2,3-e)-1,2-thiazine-3-carboxamide, 6-chloro-2-methyl-N-(2-pyridinyl)-4-(2-pyridinylamino)-, 1,1-dioxide"
CN1C(C(=O)NC2=CC=CC=N2)C(=O)C2SC(Cl)=CC=2S1(=O)=O,5.73,4.0,2.0,0.0,371.82700000000006,13.0,4.0,CN1C(C(=O)NC2=CC=CC=N2)C(=O)C2SC(Cl)=CC=2S1(=O)=O,0.75815462196739,Lornoxicam
CN1C(C(=O)NC2=NC=CS2)C(=O)C2C=CC=CC=2S1(=O)=O,136.0,4.0,3.0,0.0,337.38200000000006,13.0,4.0,CN1C(C(=O)NC2=NC=CS2)C(=O)C2C=CC=CC=2S1(=O)=O,2.1335389083702174,Sudoxicam
CN1C(C(=O)NC2C=CC(O)=CN=2)C(=O)C2SC=CC=2S1(=O)=O,30.0,4.0,2.0,0.0,353.3810000000001,13.0,5.0,CN1C(C(=O)NC2C=CC(O)=CN=2)C(=O)C2SC=CC=2S1(=O)=O,1.4771212547196624,Ro 17-6661
CN1C(C(=O)NC2C=CC=CC=2)C(=O)C2C=CC=CC=2S1(=O)=O,7500.0,4.0,3.0,0.0,330.36500000000007,16.0,4.0,CN1C(C(=O)NC2C=CC=CC=2)C(=O)C2C=CC=CC=2S1(=O)=O,3.8750612633917,W7477
CN1C(C(=O)NC2C=CC=CN=2)C(=O)C2C=CC=CC=2S1(=O)=O,216.0,4.0,3.0,0.0,331.35300000000007,15.0,4.0,CN1C(C(=O)NC2C=CC=CN=2)C(=O)C2C=CC=CC=2S1(=O)=O,2.3344537511509307,Piroxicam
CN1C(C(=O)NC2C=CC=CN=2)C(=O)C2SC=CC=2S1(=O)=O,79.0,4.0,3.0,0.0,337.38200000000006,13.0,4.0,CN1C(C(=O)NC2C=CC=CN=2)C(=O)C2SC=CC=2S1(=O)=O,1.8976270912904414,Tenoxicam
CN1C(C)=C(C(C)C)C(=O)N1C1C=CC=CC=1,860.0,4.0,2.0,0.0,230.31100000000004,14.0,1.0,CN1C(C)=C(C(C)C)C(=O)N1C1C=CC=CC=1,2.934498451243568,Propyphenazone
CN1C(C)=C(I)C(=O)N1C1C=CC=CC=1,2060.0,4.0,3.0,0.0,314.12600000000003,11.0,1.0,CN1C(C)=C(I)C(=O)N1C1C=CC=CC=1,3.3138672203691533,Iodoantipyrine
CN1C(C)=CC(=O)N1C1C=CC=CC=1,1705.0,4.0,2.0,0.0,188.23,11.0,1.0,CN1C(C)=CC(=O)N1C1C=CC=CC=1,3.2317243833285163,Phenazone
CN1C(C)C(=N)C(=O)N1C1C=CC=CC=1,1700.0,4.0,2.0,0.0,203.245,11.0,1.0,CN1C(C)C(=N)C(=O)N1C1C=CC=CC=1,3.230448921378274,"3H-Pyrazol-3-one, 4-amino-1,2-dihydro-1,5-dimethyl-2-phenyl-, phosphate (1:1)"
CN1C(C2C=CC(Cl)=CC=2)S(=O)(=O)CCC1=O,605.0,4.0,3.0,0.0,273.741,11.0,3.0,CN1C(C2C=CC(Cl)=CC=2)S(=O)(=O)CCC1=O,2.781755374652469,Chlormezanone
CN1C(CC2=CC(N=NC(N)=O)C(=O)C=C12)S(O)(=O)=O,10000.0,4.0,3.0,0.0,300.29600000000005,10.0,5.0,CN1C(CC2=CC(N=NC(N)=O)C(=O)C=C12)S(O)(=O)=O,4.0,Carbazochrome sodium sulfonate
CN1C(CCl)=NC2C=C(C=CC1=2)C(=O)N(CCC(=O)OCC)C1=CC=CC=N1,1150.0,4.0,1.0,0.0,400.8660000000001,20.0,3.0,CN1C(CCl)=NC2C=C(C=CC1=2)C(=O)N(CCC(=O)OCC)C1=CC=CC=N1,3.060697840353612,Ethyl N-[2-(chloromethyl)-1-methyl-1H-benzimidazole-5-carbonyl]-N-pyridin-2-yl-beta-alaninate
CN1C(CCl)NC2=CC(Cl)=C(C=C2S1(=O)=O)S(N)(=O)=O,4000.0,4.0,2.0,0.0,360.2440000000001,9.0,4.0,CN1C(CCl)NC2=CC(Cl)=C(C=C2S1(=O)=O)S(N)(=O)=O,3.6020599913279625,Methyclothiazide
CN1C(COC(N)=O)=NC=C1[N+]([O-])=O,3400.0,4.0,2.0,0.0,200.15399999999997,6.0,4.0,CN1C(COC(N)=O)=NC=C1[N+]([O-])=O,3.531478917042255,Ronidazole
CN1C(CSCC(F)(F)F)NC2C=C(Cl)C(=CC=2S1(=O)=O)S(N)(=O)=O,10.0,4.0,2.0,0.0,439.8900000000002,11.0,4.0,CN1C(CSCC(F)(F)F)NC2C=C(Cl)C(=CC=2S1(=O)=O)S(N)(=O)=O,1.0,Polythiazide
CN1C(O)C(O)N(C)C1=O,3500.0,1.0,2.0,0.0,146.146,5.0,3.0,CN1C(O)C(O)N(C)C1=O,3.5440680443502757,"4,5-Dihydroxy-1,3-dimethylimidazolidin-2-one"
CN1C2=CC=C(Br)C3=C2C(=CC1=O)C1=CC=CC=C1C3=O,1550.0,4.0,2.0,0.0,340.17600000000004,17.0,2.0,CN1C2=CC=C(Br)C3=C2C(=CC1=O)C1=CC=CC=C1C3=O,3.1903316981702914,"3H-Dibenz[f,ij]isoquinoline-2,7-dione, 6-bromo-3-methyl-"
CN1C2=CC=C(C=C2C(=NCC1=O)C1C=CC=CC=1)[N+]([O-])=O,970.0,4.0,3.0,0.0,295.29800000000006,16.0,3.0,CN1C2=CC=C(C=C2C(=NCC1=O)C1C=CC=CC=1)[N+]([O-])=O,2.9867717342662448,Nimetazepam
CN1C2=CC=C(Cl)C=C2N(C2C=CC=CC=2)C(=O)CC1=O,6000.0,4.0,3.0,0.0,300.74500000000006,16.0,2.0,CN1C2=CC=C(Cl)C=C2N(C2C=CC=CC=2)C(=O)CC1=O,3.7781512503836434,Clobazam
CN1C2=CC=CC=C2C(=O)C(N=NC2C=CC(=CC=2)[N+]([O-])=O)C1=O,4250.0,4.0,3.0,0.0,324.29600000000005,16.0,4.0,CN1C2=CC=CC=C2C(=O)C(N=NC2C=CC(=CC=2)[N+]([O-])=O)C1=O,3.6283889300503116,"2(1H)-Quinolinone, 4-hydroxy-1-methyl-3-[(4-nitrophenyl)azo]-"
CN1C2=CC=CC=C2SC2C=CC(CC(O)=O)=CC1=2,495.0,4.0,2.0,0.0,271.34099999999995,15.0,2.0,CN1C2=CC=CC=C2SC2C=CC(CC(O)=O)=CC1=2,2.694605198933569,Metiazinic acid
CN1C2C3CC4C(CC)C(O)N3C3CC2(C(O)C43)C2=CC=CC=C12,290.0,4.0,3.0,0.0,326.44,20.0,2.0,CN1C2C3CC4C(CC)C(O)N3C3CC2(C(O)C43)C2=CC=CC=C12,2.462397997898956,
CN1C2C3CC4C(CC)C(O)N3C3CC2(C(O)C43)C2C=CC=CC1=2,360.0,4.0,3.0,0.0,326.44,20.0,2.0,CN1C2C3CC4C(CC)C(O)N3C3CC2(C(O)C43)C2C=CC=CC1=2,2.5563025007672873,Ajmaline
CN1C2C=C(C=CC=2C2OC(=CC1=2)C(=O)NCCCN1CCCCC1)C(F)(F)F,1000.0,4.0,1.0,0.0,407.4360000000004,21.0,2.0,CN1C2C=C(C=CC=2C2OC(=CC1=2)C(=O)NCCCN1CCCCC1)C(F)(F)F,3.0,
CN1C2C=CC(=CC=2C(=NCC1=O)C1=CC=CC=C1F)[N+]([O-])=O,415.0,4.0,3.0,0.0,313.28800000000007,16.0,3.0,CN1C2C=CC(=CC=2C(=NCC1=O)C1=CC=CC=C1F)[N+]([O-])=O,2.6180480967120925,Flunitrazepam
CN1C2C=CC(=CC=2N=C1CCCC(O)=O)N(CCCl)CCCl,250.0,4.0,1.0,0.0,358.26900000000006,16.0,2.0,CN1C2C=CC(=CC=2N=C1CCCC(O)=O)N(CCCl)CCCl,2.3979400086720375,Bendamustine
CN1C2C=CC(=CC=2OC(C)(C)C1=O)C(=O)C=CC1C=CC(O)=CC=1,3500.0,4.0,3.0,0.0,337.37500000000006,20.0,4.0,CN1C2C=CC(=CC=2OC(C)(C)C1=O)C(=O)C=CC1C=CC(O)=CC=1,3.5440680443502757,
CN1C2C=CC(=CC=2OCC1=O)C(=O)C1C=CC(Cl)=CC=1,3500.0,4.0,3.0,0.0,301.72900000000004,16.0,3.0,CN1C2C=CC(=CC=2OCC1=O)C(=O)C1C=CC(Cl)=CC=1,3.5440680443502757,"2H-1,4-Benzoxazin-3(4H)-one, 7-(4-chlorobenzoyl)-4-methyl-"
CN1C2C=CC(=CC=2OCC1=O)C(=O)C1C=CC=CC=1,3500.0,4.0,3.0,0.0,267.28400000000005,16.0,3.0,CN1C2C=CC(=CC=2OCC1=O)C(=O)C1C=CC=CC=1,3.5440680443502757,"2H-1,4-Benzoxazin-3(4H)-one, 7-benzoyl-4-methyl-"
CN1C2CC(CC1C1OC12)OC(=O)C(CO)C1C=CC=CC=1,1960.0,4.0,3.0,0.0,303.358,17.0,4.0,CN1C2CC(CC1C1OC12)OC(=O)C(CO)C1C=CC=CC=1,3.292256071356476,Scopolamine hydrochloride
CN1C2CC(CC1CC2)OC(=O)C(CO)C1C=CC=CC=1,500.0,4.0,3.0,0.0,289.37500000000006,17.0,3.0,CN1C2CC(CC1CC2)OC(=O)C(CO)C1C=CC=CC=1,2.6989700043360187,"Benzeneacetic acid, .alpha.-(hydroxymethyl)-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, hydrobromide (1:1), (.alpha.S)-"
CN1C2CC(CC1CC2)OC(C1C=CC=CC=1)C1C=CC(Cl)=CC=1,364.0,4.0,2.0,1.0,341.88200000000006,21.0,1.0,CN1C2CC(CC1CC2)OC(C1C=CC=CC=1)C1C=CC(Cl)=CC=1,2.561101383649056,Clobenztropine
CN1C2CC(CC1CC2)OC(C1C=CC=CC=1)C1C=CC=CC=1,940.0,4.0,2.0,0.0,307.43700000000007,21.0,1.0,CN1C2CC(CC1CC2)OC(C1C=CC=CC=1)C1C=CC=CC=1,2.9731278535996988,Benztropine
CN1C2CC(CC1CC2)OC1C2=CC=CC=C2CCC2C=CC=CC=21,445.0,4.0,2.0,0.0,333.4750000000001,23.0,1.0,CN1C2CC(CC1CC2)OC1C2=CC=CC=C2CCC2C=CC=CC=21,2.6483600109809315,Deptropine
CN1C2CC(CC1CCC2)NC(=O)C1=NN(C)C2C=CC=CC=21,350.0,4.0,3.0,0.0,312.4170000000001,18.0,1.0,CN1C2CC(CC1CCC2)NC(=O)C1=NN(C)C2C=CC=CC=21,2.5440680443502757,Granisetron hydrochloride
CN1C2N=C(Br)N(CC#CC)C=2C(=O)NC1=O,2750.0,4.0,3.0,0.0,297.112,10.0,2.0,CN1C2N=C(Br)N(CC#CC)C=2C(=O)NC1=O,3.439332693830263,"8-Bromo-7-(but-2-yn-1-yl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione"
CN1C2N=CN(C)C=2C(=O)NC1=O,1107.5,3.0,2.0,0.0,180.16699999999997,7.0,2.0,CN1C2N=CN(C)C=2C(=O)NC1=O,3.044343734895107,Theobromine
CN1C2N=CN(CCC)C=2C(=O)N(CCCCC(C)=O)C1=O,940.0,4.0,2.0,0.0,306.366,15.0,3.0,CN1C2N=CN(CCC)C=2C(=O)N(CCCCC(C)=O)C1=O,2.9731278535996988,Propentofylline
CN1C2N=CN(CCNCC3C=NC=CC=3)C=2C(=O)N(C)C1=O,3700.0,4.0,3.0,0.0,314.34900000000005,15.0,2.0,CN1C2N=CN(CCNCC3C=NC=CC=3)C=2C(=O)N(C)C1=O,3.568201724066995,Pimefylline nicotinate
CN1C=C(/C(/O)=N/C2=CC=CC3C4CCC(C=32)C4=C(Cl)Cl)C(=N1)C(F)F,55.0,3.0,1.0,1.0,398.24,18.0,1.0,CN1C=C(/C(/O)=N/C2=CC=CC3C4CCC(C=32)C4=C(Cl)Cl)C(=N1)C(F)F,1.7403626894942439,Benzovindiflupyr
CN1C=C(C(=O)C(=C1)C1C=CC=CC=1)C1=CC(=CC=C1)C(F)(F)F,10000.0,4.0,2.0,0.0,329.32099999999997,19.0,1.0,CN1C=C(C(=O)C(=C1)C1C=CC=CC=1)C1=CC(=CC=C1)C(F)(F)F,4.0,Fluridone
CN1C=C(C(=O)C2CC3N=CNC=3CC2)C2C=CC=CC1=2,1264.0,4.0,3.0,0.0,279.343,17.0,1.0,CN1C=C(C(=O)C2CC3N=CNC=3CC2)C2C=CC=CC1=2,3.1017470739463664,Ramosetron hydrochloride
CN1C=C(C(=O)Cl)C(=N1)C(F)F,2751.0,2.0,2.0,0.0,194.568,6.0,1.0,CN1C=C(C(=O)Cl)C(=N1)C(F)F,3.4394905903896835,3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carbonyl chloride
CN1C=C(C(N)=O)C(=O)N2C1CCCC2C,370.0,4.0,2.0,0.0,223.276,11.0,2.0,CN1C=C(C(N)=O)C(=O)N2C1CCCC2C,2.568201724066995,
CN1C=C(C(O)=O)C(=N1)C(F)F,2751.0,2.0,2.0,0.0,176.12199999999996,6.0,2.0,CN1C=C(C(O)=O)C(=N1)C(F)F,3.4394905903896835,3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid
CN1C=C(CCC2C=C[N+](CCC[N+](C)(C)C)=CC=2)C2=CC=CC=C12,200.0,4.0,2.0,0.0,337.511,22.0,0.0,CN1C=C(CCC2C=C[N+](CCC[N+](C)(C)C)=CC=2)C2=CC=CC=C12,2.3010299956639813,
CN1C=C(OCC(O)CNC(C)(C)C)C2C=CC=CC=2C1=O,145.0,4.0,3.0,0.0,304.39000000000004,17.0,3.0,CN1C=C(OCC(O)CNC(C)(C)C)C2C=CC=CC=2C1=O,2.161368002234975,Tilisolol
CN1C=NC(=C1SC1=NC=NC2N=CNC=21)[N+]([O-])=O,451.0,4.0,3.0,0.0,277.269,9.0,2.0,CN1C=NC(=C1SC1=NC=NC2N=CNC=21)[N+]([O-])=O,2.6541765418779604,Azathioprine
CN1C=NC=C1,1144.0,1.0,2.0,0.0,82.106,4.0,0.0,CN1C=NC=C1,3.058426024457005,1-Methylimidazole
CN1CC(=CCC1)C(=O)OC,2500.0,3.0,2.0,0.0,155.197,8.0,2.0,CN1CC(=CCC1)C(=O)OC,3.3979400086720375,Arecoline hydrobromide
CN1CC(C(O)=O)N(C1=O)C(=O)C(C)NC(CCC1C=CC=CC=1)C(=O)OCC,3536.0,4.0,1.0,0.0,405.45100000000025,20.0,6.0,CN1CC(C(O)=O)N(C1=O)C(=O)C(C)NC(CCC1C=CC=CC=1)C(=O)OCC,3.5485122563410356,Imidapril hydrochloride
CN1CC(C=C2C1CC1=C(Br)NC3=CC=CC2=C13)C(=O)NC1(OC2(O)C3CCCN3C(=O)C(CC(C)C)N2C1=O)C(C)C,3500.0,1.0,1.0,1.0,654.6059999999999,32.0,5.0,CN1CC(C=C2C1CC1=C(Br)NC3=CC=CC2=C13)C(=O)NC1(OC2(O)C3CCCN3C(=O)C(CC(C)C)N2C1=O)C(C)C,3.5440680443502757,Bromocriptine
CN1CC(CC1)C1=CNC2=CC=CC=C12,413.0,4.0,2.0,0.0,200.285,13.0,0.0,CN1CC(CC1)C1=CNC2=CC=CC=C12,2.615950051656401,
CN1CC(CC1)C=C1C2=CC=CC=C2CCC2=CC=CC=C21,303.0,4.0,2.0,0.0,289.422,21.0,0.0,CN1CC(CC1)C=C1C2=CC=CC=C2CCC2=CC=CC=C21,2.481442628502305,
CN1CC(CC2C1CC1=CNC3=CC=CC2=C13)C1=CC=NN1C,400.0,4.0,3.0,0.0,306.4130000000001,19.0,0.0,CN1CC(CC2C1CC1=CNC3=CC=CC2=C13)C1=CC=NN1C,2.6020599913279625,
CN1CC(CC2C1CC1=CNC3=CC=CC2=C13)C1C=CNN=1,400.0,4.0,3.0,0.0,292.3860000000001,18.0,0.0,CN1CC(CC2C1CC1=CNC3=CC=CC2=C13)C1C=CNN=1,2.6020599913279625,
CN1CC(CC2C1CC1=CNC3C=CC=C2C=31)NC(=O)N(CC)CC,100.0,4.0,3.0,0.0,340.4710000000002,20.0,1.0,CN1CC(CC2C1CC1=CNC3C=CC=C2C=31)NC(=O)N(CC)CC,2.0,Terguride
CN1CC(CC2C3C=CC=CC=3SC3C=CC=CC=32)CCC1,1460.0,4.0,2.0,1.0,309.47800000000007,20.0,0.0,CN1CC(CC2C3C=CC=CC=3SC3C=CC=CC=32)CCC1,3.164352855784437,Metixene hydrochloride
CN1CC(CCC1)OC(=O)C(O)(C1=CC=CS1)C1C=CC=CC=1,20.0,4.0,3.0,0.0,331.43700000000007,18.0,3.0,CN1CC(CCC1)OC(=O)C(O)(C1=CC=CS1)C1C=CC=CC=1,1.3010299956639813,
CN1CC(CN2C3=CC=CC=C3SC3C=CC=CC2=3)CC1,162.0,4.0,2.0,0.0,296.4390000000001,18.0,0.0,CN1CC(CN2C3=CC=CC=C3SC3C=CC=CC2=3)CC1,2.2095150145426308,Methdilazine
CN1CC(CN2C3C=CC=CC=3SC3C=CC=CC2=3)CC1,260.0,4.0,2.0,0.0,296.4390000000001,18.0,0.0,CN1CC(CN2C3C=CC=CC=3SC3C=CC=CC2=3)CC1,2.4149733479708178,Methdilazine hydrochloride
CN1CC(O)C2=CC(N=NC(N)=O)C(=O)C=C12,10001.0,3.0,2.0,0.0,236.23099999999997,10.0,3.0,CN1CC(O)C2=CC(N=NC(N)=O)C(=O)C=C12,4.000043427276863,Carbazochrome
CN1CC(O)N(C1=O)C1=NN=C(S1)C(C)(C)C,1542.0,4.0,3.0,0.0,256.331,10.0,2.0,CN1CC(O)N(C1=O)C1=NN=C(S1)C(C)(C)C,3.188084373714938,Buthidazole
CN1CC(O)N(C1=O)C1C=C(ON=1)C(C)(C)C,500.0,4.0,2.0,0.0,239.275,11.0,3.0,CN1CC(O)N(C1=O)C1C=C(ON=1)C(C)(C)C,2.6989700043360187,3-[5-tert-Butyl-3-isoxazolyl]-4-hydroxy-1-methyl-2-imidazolidinone
CN1CC(OC(C)=O)N(C1=O)C1=CC(=NO1)C(C)(C)C,500.0,4.0,3.0,0.0,281.312,13.0,4.0,CN1CC(OC(C)=O)N(C1=O)C1=CC(=NO1)C(C)(C)C,2.6989700043360187,
CN1CC2=C(N)C=CC=C2C(C1)C1C=CC=CC=1,267.0,4.0,2.0,0.0,238.334,16.0,0.0,CN1CC2=C(N)C=CC=C2C(C1)C1C=CC=CC=1,2.4265112613645754,Nomifensine
CN1CC2=C(N=CN2C2=CC=C(F)C=C2C1=O)C(=O)OCC,4200.0,4.0,3.0,0.0,303.293,15.0,3.0,CN1CC2=C(N=CN2C2=CC=C(F)C=C2C1=O)C(=O)OCC,3.6232492903979003,Flumazenil
CN1CC2C(N)=CC=CC=2C(C1)C1C=CC=CC=1,430.0,4.0,2.0,0.0,238.334,16.0,0.0,CN1CC2C(N)=CC=CC=2C(C1)C1C=CC=CC=1,2.6334684555795866,Nomifensine maleate
CN1CC2C3=CC=CC=C3CC3=CC=CC=C3C=2CC1,554.0,4.0,2.0,0.0,261.368,19.0,0.0,CN1CC2C3=CC=CC=C3CC3=CC=CC=C3C=2CC1,2.74350976472843,Setiptiline
CN1CC2C=CC=CC=2C(OCC1)C1C=CC=CC=1,80.0,4.0,3.0,0.0,253.345,17.0,1.0,CN1CC2C=CC=CC=2C(OCC1)C1C=CC=CC=1,1.9030899869919435,Nefopam hydrochloride
CN1CC2CN(CC(C1)C2OC(=O)C1C=CC(Cl)=CC=1)CC,383.0,4.0,3.0,0.0,322.836,17.0,2.0,CN1CC2CN(CC(C1)C2OC(=O)C1C=CC(Cl)=CC=1)CC,2.583198773968623,Bisaramil
CN1CC=NC1=S,2250.0,1.0,2.0,0.0,114.173,4.0,0.0,CN1CC=NC1=S,3.3521825181113627,Methimazole
CN1CCC(CC1)=C1C2=CC=CC=C2C(O)C2=CC=CC=C21,135.0,4.0,2.0,0.0,291.3940000000001,20.0,1.0,CN1CCC(CC1)=C1C2=CC=CC=C2C(O)C2=CC=CC=C21,2.130333768495006,
CN1CCC(CC1)=C1C2=CC=CC=C2CCC2SC=CC=21,410.0,4.0,2.0,0.0,295.4510000000001,19.0,0.0,CN1CCC(CC1)=C1C2=CC=CC=C2CCC2SC=CC=21,2.6127838567197355,Pizotyline
CN1CCC(CC1)=C1C2=CC=CC=C2SC2=CC=CC=C21,868.0,4.0,2.0,0.0,293.4350000000001,19.0,0.0,CN1CCC(CC1)=C1C2=CC=CC=C2SC2=CC=CC=C21,2.938519725176492,Pimethixene
CN1CCC(CC1)=C1C2C=CC=CC=2C=CC2C=CC=CC=21,295.0,4.0,2.0,0.0,287.4060000000001,21.0,0.0,CN1CCC(CC1)=C1C2C=CC=CC=2C=CC2C=CC=CC=21,2.469822015978163,Cyproheptadine hydrochloride
CN1CCC(CC1)N(CC1=CC=CS1)C1C=CC=CC=1,1060.0,4.0,2.0,0.0,286.44400000000013,17.0,0.0,CN1CCC(CC1)N(CC1=CC=CS1)C1C=CC=CC=1,3.0253058652647704,Thenalidine
CN1CCC(CC1)N1N=C(C(CC2C=CC=CC=2)C1=O)C1C=CC=CC=1,2700.0,4.0,3.0,0.0,347.46200000000016,22.0,1.0,CN1CCC(CC1)N1N=C(C(CC2C=CC=CC=2)C1=O)C1C=CC=CC=1,3.4313637641589874,Benzpiperylon
CN1CCC(CC1)OC(C1=CC=CC=C1)C1=CC=CC=C1,698.0,4.0,2.0,0.0,281.3990000000001,19.0,1.0,CN1CCC(CC1)OC(C1=CC=CC=C1)C1=CC=CC=C1,2.843855422623161,Diphenylpyraline
CN1CCC(O)CC1,3257.0,2.0,2.0,0.0,115.176,6.0,1.0,CN1CCC(O)CC1,3.512817758564873,"4-Piperidinol, 1-methyl-"
CN1CCC2(C)C1N(C)C1C=CC(=CC2=1)OC(=O)NC,4.5,4.0,3.0,0.0,275.352,15.0,2.0,CN1CCC2(C)C1N(C)C1C=CC(=CC2=1)OC(=O)NC,0.6532125137753437,"Benzoic acid, 2-hydroxy-, compd. with (3aS,8aR)-1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethylpyrrolo[2,3-b]indol-5-yl N-methylcarbamate (1:1)"
CN1CCC23C4OC5=C(O)C=CC(CC1C2CCC4N=[N+]=[N-])=C35,62.0,4.0,3.0,0.0,312.3730000000001,17.0,2.0,CN1CCC23C4OC5=C(O)C=CC(CC1C2CCC4N=[N+]=[N-])=C35,1.792391689498254,Azidomorphine
CN1CCC23C4OC5C2=C(CC1C3=CC=C4OC)C=CC=5OC,114.0,4.0,3.0,0.0,311.381,19.0,3.0,CN1CCC23C4OC5C2=C(CC1C3=CC=C4OC)C=CC=5OC,2.0569048513364727,Thebaine
CN1CCC23C4OC5C2=C(CC1C3C=CC4O)C=CC=5O,366.5,4.0,3.0,0.0,285.343,17.0,3.0,CN1CCC23C4OC5C2=C(CC1C3C=CC4O)C=CC=5O,2.564073978977147,(-)-Morphine hydrochloride
CN1CCC23CCCCC2C1CC1C=CC(O)=CC3=1,625.0,4.0,3.0,0.0,257.377,17.0,1.0,CN1CCC23CCCCC2C1CC1C=CC(O)=CC3=1,2.7958800173440754,Dextrorphan tartrate
CN1CCC2C=C(OC)C3=CC=2C1CC1=CC(OC2C=CC(CC4C5C(O3)=C3OCOC3=CC=5CCN4C)=CC=2)=C(C=C1)OC,3500.0,0.0,1.0,2.0,606.7190000000002,37.0,6.0,CN1CCC2C=C(OC)C3=CC=2C1CC1=CC(OC2C=CC(CC4C5C(O3)=C3OCOC3=CC=5CCN4C)=CC=2)=C(C=C1)OC,3.5440680443502757,Cepharanthine
CN1CCC2C=C(OC)C3=CC=2C1CC1C=CC(=CC=1)OC1C2C(CC4=CC(O3)=C(O)C=C4)[N+](C)(C)CCC=2C=C(OC)C=1O,28.0,0.0,0.0,2.0,609.7429999999999,37.0,6.0,CN1CCC2C=C(OC)C3=CC=2C1CC1C=CC(=CC=1)OC1C2C(CC4=CC(O3)=C(O)C=C4)[N+](C)(C)CCC=2C=C(OC)C=1O,1.4471580313422192,d-Tubocurarine
CN1CCC2C=CC(=CC=2C2C(O)=C(C=CC=2CC1CCC1C=CC=CC=1)OC)OC,500.0,4.0,0.0,1.0,417.5490000000002,27.0,3.0,CN1CCC2C=CC(=CC=2C2C(O)=C(C=CC=2CC1CCC1C=CC=CC=1)OC)OC,2.6989700043360187,
CN1CCCC(C1)N1C2=CC=CC=C2SC2C=C(C=CC1=2)OC,750.0,4.0,2.0,0.0,326.46500000000015,19.0,1.0,CN1CCCC(C1)N1C2=CC=CC=C2SC2C=C(C=CC1=2)OC,2.8750612633917,
CN1CCCC(CC1)N1N=C(CC2C=CC(Cl)=CC=2)C2=CC=CC=C2C1=O,445.0,4.0,1.0,0.0,381.9070000000002,22.0,1.0,CN1CCCC(CC1)N1N=C(CC2C=CC(Cl)=CC=2)C2=CC=CC=C2C1=O,2.6483600109809315,Azelastine
CN1CCCC1=O,4131.0,1.0,2.0,0.0,99.133,5.0,1.0,CN1CCCC1=O,3.6160551949765862,N-Methyl-2-pyrrolidone
CN1CCCC1C1=CN=CC=C1,65.25,4.0,2.0,0.0,162.236,10.0,0.0,CN1CCCC1C1=CN=CC=C1,1.8145805160103186,Nicotine hydrochloride
CN1CCCC1CCOC(C)(C1C=CC=CC=1)C1C=CC(Cl)=CC=1,3550.0,4.0,1.0,1.0,343.898,21.0,1.0,CN1CCCC1CCOC(C)(C1C=CC=CC=1)C1C=CC(Cl)=CC=1,3.550228353055094,Clemastine
CN1CCCCC1,490.0,2.0,2.0,0.0,99.177,6.0,0.0,CN1CCCCC1,2.690196080028514,"Piperidine, 1-methyl-, hydrochloride"
CN1CCCCC1CCN1C2=CC(Br)=CC=C2SC2C=CC=CC1=2,900.0,3.0,1.0,1.0,403.38900000000007,20.0,0.0,CN1CCCCC1CCN1C2=CC(Br)=CC=C2SC2C=CC=CC1=2,2.9542425094393248,
CN1CCCCC1CCN1C2=CC=CC=C2SC2C=CC(=CC1=2)S(C)=O,644.0,4.0,1.0,0.0,386.5860000000001,21.0,1.0,CN1CCCCC1CCN1C2=CC=CC=C2SC2C=CC(=CC1=2)S(C)=O,2.808885867359812,Mesoridazine
CN1CCCCC1CCN1C2=CC=CC=C2SC2C=CC(=CC1=2)SC,995.0,3.0,1.0,1.0,370.587,21.0,0.0,CN1CCCCC1CCN1C2=CC=CC=C2SC2C=CC(=CC1=2)SC,2.9978230807457256,Thioridazine
CN1CCCCC1CCN1C2C=C(C=CC=2SC2C=CC=CC1=2)SC,1060.0,3.0,1.0,1.0,370.587,21.0,0.0,CN1CCCCC1CCN1C2C=C(C=CC=2SC2C=CC=CC1=2)SC,3.0253058652647704,Thioridazine hydrochloride
CN1CCCCC1CCO,500.0,3.0,2.0,0.0,143.23000000000002,8.0,1.0,CN1CCCCC1CCO,2.6989700043360187,CERAPP_27759
CN1CCCN(C)C1=O,1770.0,2.0,2.0,0.0,128.175,6.0,1.0,CN1CCCN(C)C1=O,3.247973266361807,"2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-"
CN1CCCN(CC1)C(C1C=CC=CC=1)C1C=CC(Cl)=CC=1,490.0,4.0,2.0,0.0,314.8600000000001,19.0,0.0,CN1CCCN(CC1)C(C1C=CC=CC=1)C1C=CC(Cl)=CC=1,2.690196080028514,Homochlorcyclizine
CN1CCCN=C1C=CC1=CC=CS1,170.0,4.0,2.0,0.0,206.314,11.0,0.0,CN1CCCN=C1C=CC1=CC=CS1,2.230448921378274,Pyrantel
CN1CCCN=C1COC(=O)C(O)(C1CCCCC1)C1C=CC=CC=1,1370.0,4.0,3.0,0.0,344.4550000000002,20.0,3.0,CN1CCCN=C1COC(=O)C(O)(C1CCCCC1)C1C=CC=CC=1,3.1367205671564067,Oxyphencyclimine hydrochloride
CN1CCN(C)C1=O,619.0,1.0,2.0,0.0,114.14799999999998,5.0,1.0,CN1CCN(C)C1=O,2.791690649020118,"N,N'-Dimethylimidazolidinone"
CN1CCN(C)C2SC(SC12)=C(C(=O)OCCC)C(=O)OCCC,1000.0,4.0,1.0,0.0,374.5280000000001,16.0,4.0,CN1CCN(C)C2SC(SC12)=C(C(=O)OCCC)C(=O)OCCC,3.0,
CN1CCN(C)CC1,1280.0,2.0,2.0,0.0,114.192,6.0,0.0,CN1CCN(C)CC1,3.1072099696478683,"1,4-Dimethylpiperazine"
CN1CCN(CC(=O)N2C3N=CC=CC=3NC(=O)C3=CC=CC=C23)CC1,7500.0,4.0,2.0,0.0,351.41000000000014,19.0,2.0,CN1CCN(CC(=O)N2C3N=CC=CC=3NC(=O)C3=CC=CC=C23)CC1,3.8750612633917,Pirenzepine
CN1CCN(CC(=O)N=NCC2=CC=C(O2)[N+]([O-])=O)CC1,911.5,4.0,3.0,0.0,295.2990000000001,12.0,4.0,CN1CCN(CC(=O)N=NCC2=CC=C(O2)[N+]([O-])=O)CC1,2.959756672990995,Nifurpipone acetate
CN1CCN(CC1)C(=O)N(CC)CC,1390.0,4.0,2.0,0.0,199.29799999999992,10.0,1.0,CN1CCN(CC1)C(=O)N(CC)CC,3.143014800254095,Diethylcarbamazine citrate
CN1CCN(CC1)C(=O)OC1C2=NC=CN=C2C(=O)N1C1C=CC(Cl)=CN=1,827.0,4.0,2.0,0.0,388.8150000000001,17.0,3.0,CN1CCN(CC1)C(=O)OC1C2=NC=CN=C2C(=O)N1C1C=CC(Cl)=CN=1,2.9175055095525466,Zopiclone
CN1CCN(CC1)C(=S)SSC(=S)N1CCN(C)CC1,7500.0,4.0,2.0,0.0,350.6040000000002,12.0,0.0,CN1CCN(CC1)C(=S)SSC(=S)N1CCN(C)CC1,3.8750612633917,Ewp 815
CN1CCN(CC1)C1=C(F)C=C2C3=C1SCCN3C=C(C(O)=O)C2=O,501.0,4.0,2.0,0.0,363.4140000000002,17.0,3.0,CN1CCN(CC1)C1=C(F)C=C2C3=C1SCCN3C=C(C(O)=O)C2=O,2.699837725867246,Rufloxacin
CN1CCN(CC1)C1=CC2=C(C=C1F)C(=O)C(=CN2CC)C(O)=O,2500.0,4.0,3.0,0.0,333.36300000000006,17.0,3.0,CN1CCN(CC1)C1=CC2=C(C=C1F)C(=O)C(=CN2CC)C(O)=O,3.3979400086720375,Pefloxacin mesylate
CN1CCN(CC1)C1=CC2C=CC=CC=2OC2C=CC(Cl)=CC=21,231.0,4.0,2.0,0.0,326.8270000000001,19.0,1.0,CN1CCN(CC1)C1=CC2C=CC=CC=2OC2C=CC(Cl)=CC=21,2.3636119798921444,"2-Chloro-11-(4-methylpiperazino)dibenz[b,f]oxepin"
CN1CCN(CC1)C1=NC2=CC(Cl)=CC=C2NC2C=CC=CC=21,251.0,4.0,2.0,0.0,326.83100000000013,18.0,0.0,CN1CCN(CC1)C1=NC2=CC(Cl)=CC=C2NC2C=CC=CC=21,2.399673721481038,Clozapine
CN1CCN(CC1)C1=NC2=CC=CC=C2OC2C=CC(Cl)=CC=21,151.0,4.0,2.0,0.0,327.8150000000001,18.0,1.0,CN1CCN(CC1)C1=NC2=CC=CC=C2OC2C=CC(Cl)=CC=21,2.1789769472931693,Loxapine
CN1CCN(CC1)C1=NC2=CC=CC=C2SC2C=CC(C)=CC=21,934.0,4.0,2.0,0.0,323.465,19.0,0.0,CN1CCN(CC1)C1=NC2=CC=CC=C2SC2C=CC(C)=CC=21,2.9703468762300935,Metiapine
CN1CCN(CC1)C1=NC2C=CC=CC=2CC2C=CC=CC=21,660.0,4.0,3.0,0.0,291.3980000000001,19.0,0.0,CN1CCN(CC1)C1=NC2C=CC=CC=2CC2C=CC=CC=21,2.8195439355418688,Perlapine
CN1CCN(CC1)C1=NC2C=CC=CC=2SC2C=CC(Cl)=CC=21,280.0,4.0,2.0,0.0,343.8830000000001,18.0,0.0,CN1CCN(CC1)C1=NC2C=CC=CC=2SC2C=CC(Cl)=CC=21,2.4471580313422194,Clothiapine
CN1CCN(CC1)C1C(F)=C2C(=CC=1F)C(=O)C(=CN2CCF)C(O)=O,4000.0,4.0,2.0,0.0,369.3430000000002,17.0,3.0,CN1CCN(CC1)C1C(F)=C2C(=CC=1F)C(=O)C(=CN2CCF)C(O)=O,3.6020599913279625,Fleroxacin
CN1CCN(CC1)C1C(F)=CC2=C3C=1OCC(C)N3C=C(C(O)=O)C2=O,1478.0,4.0,2.0,0.0,361.3730000000001,18.0,4.0,CN1CCN(CC1)C1C(F)=CC2=C3C=1OCC(C)N3C=C(C(O)=O)C2=O,3.1696744340588068,Levofloxacin
CN1CCN(CC1)C1C=C2C(=NN=1)OC1=CC=CC=C1N2C,1000.0,4.0,3.0,0.0,297.3620000000001,16.0,1.0,CN1CCN(CC1)C1C=C2C(=NN=1)OC1=CC=CC=C1N2C,3.0,Azaphen
CN1CCN(CC1)C1NC2C=CC(Cl)=CC=2S(=O)(=O)N=1,7500.0,4.0,3.0,0.0,314.79800000000006,12.0,2.0,CN1CCN(CC1)C1NC2C=CC(Cl)=CC=2S(=O)(=O)N=1,3.8750612633917,DU 717
CN1CCN(CC1)N=CC1C2NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(C=COC3(C)OC4=C(C(=C(C=2O)C(O)=C4C)C=1O)C3=O)OC,1645.0,1.0,0.0,3.0,822.9530000000003,43.0,12.0,CN1CCN(CC1)N=CC1C2NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C(C)C(C=COC3(C)OC4=C(C(=C(C=2O)C(O)=C4C)C=1O)C3=O)OC,3.216165902285993,Rifampicin
CN1CCN(CC1)N=O,100.0,2.0,2.0,0.0,129.16299999999998,5.0,1.0,CN1CCN(CC1)N=O,2.0,N-Nitroso-N'-methylpiperazine
CN1CCN(CC2C(SC3=CC=CC=C3N=C2O)C2C=CC=CC=2)CC1,830.0,4.0,1.0,0.0,367.51800000000014,21.0,1.0,CN1CCN(CC2C(SC3=CC=CC=C3N=C2O)C2C=CC=CC=2)CC1,2.9190780923760737,
CN1CCN(CCC(O)=NN=CC2=CC=C(O2)[N+]([O-])=O)CC1,300.0,4.0,3.0,0.0,309.32600000000014,13.0,4.0,CN1CCN(CCC(O)=NN=CC2=CC=C(O2)[N+]([O-])=O)CC1,2.4771212547196626,
CN1CCN(CCCN2C3=CC=CC=C3SC3C=CC(=CC2=3)C(=O)CCC)CC1,413.0,4.0,0.0,0.0,409.5990000000001,24.0,1.0,CN1CCN(CCCN2C3=CC=CC=C3SC3C=CC(=CC2=3)C(=O)CCC)CC1,2.615950051656401,Butaperazine
CN1CCN(CCCN2C3=CC=CC=C3SC3C=CC(=CC2=3)C(C)=O)CC1,650.0,4.0,1.0,0.0,381.5450000000001,22.0,1.0,CN1CCN(CCCN2C3=CC=CC=C3SC3C=CC(=CC2=3)C(C)=O)CC1,2.8129133566428557,"Ketone, methyl 10-(3-(4-methyl-1-piperazinyl)propyl)phenothiazin-2-yl"
CN1CCN(CCCN2C3=CC=CC=C3SC3C=CC(Cl)=CC2=3)CC1,1800.0,4.0,1.0,0.0,373.95300000000015,20.0,0.0,CN1CCN(CCCN2C3=CC=CC=C3SC3C=CC(Cl)=CC2=3)CC1,3.255272505103306,Prochlorperazine
CN1CCN(CCCN2C3C=C(C=CC=3SC3C=CC=CC2=3)C(=O)CC)CC1,600.0,4.0,0.0,0.0,395.5720000000001,23.0,1.0,CN1CCN(CCCN2C3C=C(C=CC=3SC3C=CC=CC2=3)C(=O)CC)CC1,2.7781512503836434,
CN1CCN(CCCN2C3C=CC=CC=3SC3C=CC(=CC2=3)C(F)(F)F)CC1,543.0,4.0,1.0,0.0,407.50500000000017,21.0,0.0,CN1CCN(CCCN2C3C=CC=CC=3SC3C=CC(=CC2=3)C(F)(F)F)CC1,2.734799829588847,Triphthasine
CN1CCN(CCCN2C3C=CC=CC=3SC3C=CC=CC2=3)CC1,500.0,4.0,2.0,0.0,339.50800000000015,20.0,0.0,CN1CCN(CCCN2C3C=CC=CC=3SC3C=CC=CC2=3)CC1,2.6989700043360187,Perazine
CN1CCN2C(C1)C1=CC=CC=C1CC1C=CC=CC2=1,925.0,4.0,3.0,0.0,264.372,18.0,0.0,CN1CCN2C(C1)C1=CC=CC=C1CC1C=CC=CC2=1,2.9661417327390325,Mianserin
CN1CCN2C3C1=NCCC=3C1C=C(C=CC2=1)OC,1400.0,4.0,3.0,0.0,255.3209999999999,15.0,1.0,CN1CCN2C3C1=NCCC=3C1C=C(C=CC2=1)OC,3.146128035678238,Metralindole hydrochloride
CN1CCN=C(C2C=C(Cl)C=CC1=2)C1C=CC=CC=1,900.0,4.0,2.0,0.0,270.76300000000003,16.0,0.0,CN1CCN=C(C2C=C(Cl)C=CC1=2)C1C=CC=CC=1,2.9542425094393248,Medazepam
CN1CCNCC1,2258.0,0.0,2.0,0.0,100.165,5.0,0.0,CN1CCNCC1,3.353723937588949,1-Methylpiperazine
CN1CCOCC1,1581.0,1.0,2.0,0.0,101.149,5.0,1.0,CN1CCOCC1,3.198931869932209,"Morpholine, 4-methyl-, acetate (1:1)"
CN1CCSC1=S,1210.0,1.0,2.0,0.0,133.241,4.0,0.0,CN1CCSC1=S,3.0827853703164503,"2-Thiazolidinethione, 3-methyl-"
CN1CN(C)CN(C)C1,1150.0,2.0,2.0,0.0,129.207,6.0,0.0,CN1CN(C)CN(C)C1,3.060697840353612,"Hexahydro-1,3,5-trimethyl-1,3,5-triazine"
CN1COCN(CC2=CN=C(Cl)S2)C1=N[N+]([O-])=O,1563.0,4.0,3.0,0.0,291.72,8.0,3.0,CN1COCN(CC2=CN=C(Cl)S2)C1=N[N+]([O-])=O,3.193958978019187,Thiamethoxam
CN1COCN=C1N[N+]([O-])=O,1500.0,1.0,2.0,0.0,160.13299999999998,4.0,3.0,CN1COCN=C1N[N+]([O-])=O,3.1760912590556813,"N-(3-Methyl-3,6-dihydro-2H-1,3,5-oxadiazin-4-yl)nitramide"
CN1CSC(=S)N(C)C1,320.0,3.0,2.0,0.0,162.283,5.0,0.0,CN1CSC(=S)N(C)C1,2.505149978319906,Dazomet
CN1C[Si](C)(C)OCC1,1765.0,3.0,2.0,0.0,145.278,6.0,1.0,CN1C[Si](C)(C)OCC1,3.2467447097238415,"1-Oxa-4-aza-2-silacyclohexane, 2,2,4-trimethyl-"
CN1N=CC(=C(OCC)C1=O)N1CCOCC1,1900.0,4.0,2.0,0.0,239.275,11.0,3.0,CN1N=CC(=C(OCC)C1=O)N1CCOCC1,3.278753600952829,Emorfazone
CN1N=CC(=C1N1C=NC2=CC=CC=C2C1=O)C(=O)OCC,1760.0,4.0,3.0,0.0,298.3020000000001,15.0,3.0,CN1N=CC(=C1N1C=NC2=CC=CC=C2C1=O)C(=O)OCC,3.24551266781415,"Pyrazole-4-carboxylic acid, 5-(3,4-dihydro-4-oxoquinazolin-3-yl)-1-methyl-, ethyl ester"
CN1N=CC(OP(=S)(OC)OC)=C(OC)C1=O,2.5,4.0,2.0,0.0,280.242,8.0,5.0,CN1N=CC(OP(=S)(OC)OC)=C(OC)C1=O,0.3979400086720376,"Phosphorothioic acid, O-(1,6-dihydro-5-methoxy-1-methyl-6-oxo-4-pyridazinyl) O,O-dimethyl ester"
CN1N=NC(=N1)C1C=NN(C)C=1S(=O)(=O)NC(=O)NC1N=C(C=C(N=1)OC)OC,7500.0,3.0,1.0,2.0,424.40300000000013,13.0,5.0,CN1N=NC(=N1)C1C=NN(C)C=1S(=O)(=O)NC(=O)NC1N=C(C=C(N=1)OC)OC,3.8750612633917,Azimsulfuron
CN1N=NN=C1SCC1COC2N(C=1C(O)=O)C(=O)C2(NC(=O)C(C1C=CC(O)=CC=1)C(O)=O)OC,10000.0,2.0,1.0,3.0,520.4800000000004,20.0,9.0,CN1N=NN=C1SCC1COC2N(C=1C(O)=O)C(=O)C2(NC(=O)C(C1C=CC(O)=CC=1)C(O)=O)OC,4.0,Moxalactam
CN1N=NN=C1SCC1CSC2C(NC(=O)C(NC(=O)N3CCN(CC)C(=O)C3=O)C3C=CC(O)=CC=3)C(=O)N2C=1C(O)=O,10001.0,0.0,1.0,3.0,645.6800000000003,25.0,8.0,CN1N=NN=C1SCC1CSC2C(NC(=O)C(NC(=O)N3CCN(CC)C(=O)C3=O)C3C=CC(O)=CC=3)C(=O)N2C=1C(O)=O,4.000043427276863,Cefoperazone sodium
CN1N=NN=C1SCC1CSC2C(NC(=O)C(O)C3C=CC=CC=3)C(=O)N2C=1C(O)=O,10001.0,4.0,1.0,0.0,462.5130000000001,18.0,5.0,CN1N=NN=C1SCC1CSC2C(NC(=O)C(O)C3C=CC=CC=3)C(=O)N2C=1C(O)=O,4.000043427276863,Cefamandole
CN1N=NN=C1SCC1CSC2N(C=1C(O)=O)C(=O)C2(NC(=O)C(NC(=O)N1CCN(CC)C(=O)C1=O)C(C)O)OC,10000.0,0.0,1.0,3.0,627.6620000000003,22.0,9.0,CN1N=NN=C1SCC1CSC2N(C=1C(O)=O)C(=O)C2(NC(=O)C(NC(=O)N1CCN(CC)C(=O)C1=O)C(C)O)OC,4.0,Cefbuperazone sodium
CN1N=NN=C1SCC1CSC2N(C=1C(O)=O)C(=O)C2(NC(=O)C1SC(S1)=C(C(N)=O)C(O)=O)OC,10000.0,2.0,1.0,3.0,575.6320000000002,17.0,8.0,CN1N=NN=C1SCC1CSC2N(C=1C(O)=O)C(=O)C2(NC(=O)C1SC(S1)=C(C(N)=O)C(O)=O)OC,4.0,Cefotetan
CN1N=NN=C1SCC1CSC2N(C=1C(O)=O)C(=O)C2(NC(=O)CSCC#N)OC,3204.0,3.0,1.0,2.0,471.54600000000016,15.0,5.0,CN1N=NN=C1SCC1CSC2N(C=1C(O)=O)C(=O)C2(NC(=O)CSCC#N)OC,3.5056925074122,Cefmetazole
CN1N=NN=C1SCC1CSC2N(C=1C(O)=O)C(=O)C2(NC(=O)CSCC(N)C(O)=O)OC,10001.0,2.0,1.0,3.0,519.5870000000002,16.0,7.0,CN1N=NN=C1SCC1CSC2N(C=1C(O)=O)C(=O)C2(NC(=O)CSCC(N)C(O)=O)OC,4.000043427276863,Cefminox sodium
CN1N=NN=C1SCCC/C(/O)=N/CC1=CC=CO1,500.0,4.0,2.0,0.0,281.34099999999995,11.0,2.0,CN1N=NN=C1SCCC/C(/O)=N/CC1=CC=CO1,2.6989700043360187,
CN1N=NN=C1SCCCC(=O)N(CC)C1CCCCC1,500.0,4.0,2.0,0.0,311.45500000000015,14.0,1.0,CN1N=NN=C1SCCCC(=O)N(CC)C1CCCCC1,2.6989700043360187,"Butanamide, N-cyclohexyl-N-ethyl-4-((1-methyl-1H-tetrazol-5-yl)thio)-"
CN1N=NN=C1SCCCCC(=O)N(CC)C1CCCCC1,500.0,4.0,2.0,0.0,325.4820000000002,15.0,1.0,CN1N=NN=C1SCCCCC(=O)N(CC)C1CCCCC1,2.6989700043360187,"Pentanamide, N-cyclohexyl-N-ethyl-5-((1-methyl-1H-tetrazol-5-yl)thio)-"
CN1N=NN=C1SCCCSC1C=CN=CC=1,500.0,4.0,3.0,0.0,267.383,10.0,0.0,CN1N=NN=C1SCCCSC1C=CN=CC=1,2.6989700043360187,"Pyridine, 4-((3-((1-methyl-1H-tetrazol-5-yl)thio)propyl)thio)-"
CN1SC=CC1=O,205.0,1.0,2.0,0.0,115.15699999999998,4.0,1.0,CN1SC=CC1=O,2.311753861055754,2-Methyl-3(2H)-isothiazolone
CN=C(C[N+]([O-])=O)N(CC1C=NC(Cl)=CC=1)CC,1575.0,4.0,3.0,0.0,270.71999999999997,11.0,2.0,CN=C(C[N+]([O-])=O)N(CC1C=NC(Cl)=CC=1)CC,3.197280558125619,(E)-Nitenpyram
CN=C(O)ON=C1SCOC1CCC,83.0,4.0,2.0,0.0,218.278,8.0,3.0,CN=C(O)ON=C1SCOC1CCC,1.919078092376074,"1,3-OXATHIOLAN-4-ONE, 5-PROPYL-, O-[(METHYLAMINO"
CN=C1C=CC(C=C1)=C(C1C=CC(=CC=1)N(C)C)C1C=CC(=CC=1)N(C)C,413.0,4.0,0.0,0.0,357.5010000000001,24.0,0.0,CN=C1C=CC(C=C1)=C(C1C=CC(=CC=1)N(C)C)C1C=CC(=CC=1)N(C)C,2.615950051656401,Methyl Violet
CN=C1C=NN(C(=O)C1Cl)C1=CC=CC(=C1)C(F)(F)F,8000.0,4.0,3.0,0.0,303.67099999999994,12.0,1.0,CN=C1C=NN(C(=O)C1Cl)C1=CC=CC(=C1)C(F)(F)F,3.9030899869919438,Norflurazon
CN=C1OC(C(=O)C1C1=CC(=CC=C1)C(F)(F)F)C1C=CC=CC=1,3563.0,4.0,2.0,0.0,333.30899999999997,18.0,2.0,CN=C1OC(C(=O)C1C1=CC(=CC=C1)C(F)(F)F)C1C=CC=CC=1,3.5518158223510157,Flurtamone
CN=C=O,140.0,1.0,2.0,0.0,57.052,2.0,1.0,CN=C=O,2.146128035678238,Methyl isocyanate
CN=C=S,71.0,1.0,2.0,0.0,73.12,2.0,0.0,CN=C=S,1.8512583487190752,Methyl isothiocyanate
CN=O,30.0,1.0,2.0,0.0,45.041,1.0,1.0,CN=O,1.4771212547196624,"Formaldehyde, oxime"
CNC,597.3333333333334,1.0,2.0,0.0,45.085,2.0,0.0,CNC,2.776216750606444,Dimethylamine-borane (1:1)
CNC(=N)N/C(/O)=N/C1C(C)=CC=CC=1C,187.0,4.0,2.0,0.0,220.276,11.0,1.0,CNC(=N)N/C(/O)=N/C1C(C)=CC=CC=1C,2.271841606536499,
CNC(=N)NC(=O)NC1C(C)=CC=CC=1C,184.0,4.0,2.0,0.0,220.276,11.0,1.0,CNC(=N)NC(=O)NC1C(C)=CC=CC=1C,2.2648178230095364,Lidamidine
CNC(=O)C(C#N)C1=NC(=C2C(=O)NC(=O)NC2=O)C2C=CC=CC=21,6251.0,3.0,3.0,0.0,337.2950000000001,16.0,4.0,CNC(=O)C(C#N)C1=NC(=C2C(=O)NC(=O)NC2=O)C2C=CC=CC=21,3.7959494989028033,"Acetamide, 2-cyano-2-[2,3-dihydro-3-(tetrahydro-2,4,6-trioxo-5(2H)-pyrimidinylidene)-1H-isoindol-1-ylidene]-N-methyl-"
CNC(=O)C(C)(C(C)C)C(C)C,512.0,4.0,1.0,0.0,171.28399999999996,10.0,1.0,CNC(=O)C(C)(C(C)C)C(C)C,2.709269960975831,Trimethyl isopropyl butanamide
CNC(=O)C(C)SCCSP(=O)(OC)OC,64.0,4.0,2.0,0.0,287.34299999999996,8.0,4.0,CNC(=O)C(C)SCCSP(=O)(OC)OC,1.806179973983887,Vamidothion
CNC(=O)C1C(I)=C(NC(=O)CCCCC(=O)NC2C(I)=C(C(I)=C(C=2I)C(=O)NC)C(O)=O)C(I)=C(C=1I)C(O)=O,10001.0,2.0,0.0,2.0,1253.8680000000002,24.0,8.0,CNC(=O)C1C(I)=C(NC(=O)CCCCC(=O)NC2C(I)=C(C(I)=C(C=2I)C(=O)NC)C(O)=O)C(I)=C(C=1I)C(O)=O,4.000043427276863,Iocarmic acid
CNC(=O)C1C=C(Cl)C=CN=1,1012.0,3.0,2.0,0.0,170.599,7.0,1.0,CNC(=O)C1C=C(Cl)C=CN=1,3.0051805125037805,4-Chloro-N-methylpyridine-2-carboxamide--hydrogen chloride (1/1)
CNC(=O)C=C,476.0,1.0,2.0,0.0,85.106,4.0,1.0,CNC(=O)C=C,2.677606952720493,"2-Propenamide, N-methyl-"
CNC(=O)CC#N,608.0,1.0,2.0,0.0,98.105,4.0,1.0,CNC(=O)CC#N,2.783903579272735,2-Cyano-N-methylacetamide
CNC(=O)CCS,730.0,1.0,2.0,0.0,119.189,4.0,1.0,CNC(=O)CCS,2.863322860120456,"Propanamide, 3-mercapto-N-methyl-"
CNC(=O)CSP(=O)(OC)OC,27.5,4.0,1.0,0.0,213.19499999999996,5.0,4.0,CNC(=O)CSP(=O)(OC)OC,1.4393326938302626,Omethoate
CNC(=O)CSP(=S)(OC)OC,291.0,4.0,1.0,0.0,229.263,5.0,3.0,CNC(=O)CSP(=S)(OC)OC,2.4638929889859074,Dimethoate
CNC(=O)N(C)C1=NC2C=CC=CC=2S1,2500.0,4.0,2.0,0.0,221.28500000000005,10.0,1.0,CNC(=O)N(C)C1=NC2C=CC=CC=2S1,3.3979400086720375,Methabenzthiazuron
CNC(=O)N(C)C1=NN=C(S1)C(C)(C)C,642.0,4.0,2.0,0.0,228.321,9.0,1.0,CNC(=O)N(C)C1=NN=C(S1)C(C)(C)C,2.807535028068853,Tebuthiuron
CNC(=O)N(C)C1=NN=C(S1)C(F)(F)F,278.0,4.0,2.0,0.0,240.21,6.0,1.0,CNC(=O)N(C)C1=NN=C(S1)C(F)(F)F,2.444044795918076,Thiazafluron [BSI:ISO]
CNC(=O)N(C1C=CC=CC=1)C1C=CC=CC=1,1150.0,4.0,2.0,0.0,226.279,14.0,1.0,CNC(=O)N(C1C=CC=CC=1)C1C=CC=CC=1,3.060697840353612,"N'-Methyl-N,N-diphenylurea"
CNC(=O)N(O)C1C=CC=CC=1,3400.0,4.0,2.0,0.0,166.18,8.0,2.0,CNC(=O)N(O)C1C=CC=CC=1,3.531478917042255,Meturin
CNC(=O)N1C2C=CC(=CC=2C(=NCC1=O)C1C=CC=CC=1)[N+]([O-])=O,2280.0,4.0,3.0,0.0,338.3230000000001,17.0,4.0,CNC(=O)N1C2C=CC(=CC=2C(=NCC1=O)C1C=CC=CC=1)[N+]([O-])=O,3.357934847000454,D 58SI
CNC(=O)NC,4391.0,0.0,2.0,0.0,88.11,3.0,1.0,CNC(=O)NC,3.642563437104388,"N,N'-Dimethylurea"
CNC(=O)NC1=CC(Cl)=C(Cl)C=C1,500.0,4.0,2.0,0.0,219.07099999999997,8.0,1.0,CNC(=O)NC1=CC(Cl)=C(Cl)C=C1,2.6989700043360187,"N-(3,4-Dichlorophenyl)-N'-methylurea"
CNC(=O)NC1=CC=CC=C1,3440.0,3.0,2.0,0.0,150.18099999999998,8.0,1.0,CNC(=O)NC1=CC=CC=C1,3.53655844257153,N-Methyl-N'-phenylurea
CNC(=O)NC1=NC2=CC=CC=C2S1,1280.0,4.0,2.0,0.0,207.258,9.0,1.0,CNC(=O)NC1=NC2=CC=CC=C2S1,3.1072099696478683,Benzthiazuron
CNC(=O)OC1=CC(=CC=C1)C(CC)CC,87.0,4.0,2.0,0.0,221.3,13.0,2.0,CNC(=O)OC1=CC(=CC=C1)C(CC)CC,1.9395192526186185,m-(1-Ethylpropyl)phenyl methylcarbamate
CNC(=O)OC1=CC(C)=C(NC(O)=O)C(C)=C1,71.0,4.0,2.0,0.0,238.243,11.0,4.0,CNC(=O)OC1=CC(C)=C(NC(O)=O)C(C)=C1,1.8512583487190752,"Carbanilic acid, 4-hydroxy-2,6-dimethyl-, methylcarbamate (ester)"
CNC(=O)OC1=CC=C(O)C2=CC=CC=C21,1190.0,4.0,2.0,0.0,217.224,12.0,3.0,CNC(=O)OC1=CC=C(O)C2=CC=CC=C21,3.0755469613925306,4-Hydroxycarbaryl
CNC(=O)OC1=CC=CC2CC(C)(C)OC1=2,7.265,4.0,2.0,0.0,221.25599999999991,12.0,3.0,CNC(=O)OC1=CC=CC2CC(C)(C)OC1=2,0.8612356186340403,Carbofuran
CNC(=O)OC1=CC=CC2OC3(CCCCC3)OC=21,188.0,4.0,3.0,0.0,263.2929999999999,14.0,4.0,CNC(=O)OC1=CC=CC2OC3(CCCCC3)OC=21,2.27415784926368,"Spiro(1,3-benzodioxole-2,1'-cyclohexan)-4-ol, methylcarbamate"
CNC(=O)OC1=CC=CC=C1C1CCCC1,187.0,4.0,2.0,0.0,219.2839999999999,13.0,2.0,CNC(=O)OC1=CC=CC=C1C1CCCC1,2.271841606536499,2-Cyclopentylphenyl methylcarbamate
CNC(=O)OC1=CC=CC=C1C1OCCCO1,142.0,4.0,2.0,0.0,237.2549999999999,12.0,4.0,CNC(=O)OC1=CC=CC=C1C1OCCCO1,2.1522883443830563,"Carbamic acid, methyl-, o-(m-dioxan-2-yl)phenyl ester"
CNC(=O)OC1=CC=CC=C1C1SCCS1,90.0,4.0,3.0,0.0,255.364,11.0,2.0,CNC(=O)OC1=CC=CC=C1C1SCCS1,1.954242509439325,"Carbamic acid, methyl-, o-(1,3-dithiolan-2-yl)phenyl ester"
CNC(=O)OC1=CC=CC=C1Cl,648.0,4.0,2.0,0.0,185.61,8.0,2.0,CNC(=O)OC1=CC=CC=C1Cl,2.8115750058705933,CPMC
CNC(=O)OC1=CC=CC=C1OC(C)C,84.5,4.0,2.0,0.0,209.245,11.0,3.0,CNC(=O)OC1=CC=CC=C1OC(C)C,1.9268567089496924,Propoxur
CNC(=O)OC1=CC=CC=C1OCC#C,60.0,4.0,2.0,0.0,205.21299999999997,11.0,3.0,CNC(=O)OC1=CC=CC=C1OCC#C,1.7781512503836436,o-(2-Propynyloxy)phenyl methylcarbamate
CNC(=O)OC1=CC=CC=C1OCC=C,200.0,4.0,2.0,0.0,207.22899999999996,11.0,3.0,CNC(=O)OC1=CC=CC=C1OCC=C,2.3010299956639813,"Carbamic acid, N-methyl-, o-(allyloxy)phenyl ester"
CNC(=O)OC1C=C(C)C(C)=C(C)C=1,178.0,4.0,2.0,0.0,193.246,11.0,2.0,CNC(=O)OC1C=C(C)C(C)=C(C)C=1,2.250420002308894,"3,4,5-Trimethylphenyl methylcarbamate"
CNC(=O)OC1C=C(C=C(C=1)C(C)(C)C)C(C)(C)C,1800.0,4.0,2.0,0.0,263.381,16.0,2.0,CNC(=O)OC1C=C(C=C(C=1)C(C)(C)C)C(C)(C)C,3.255272505103306,Butacarb
CNC(=O)OC1C=C(C=C(C=1)C(C)C)C(C)C,200.0,4.0,0.0,0.0,235.32699999999997,14.0,2.0,CNC(=O)OC1C=C(C=C(C=1)C(C)C)C(C)C,2.3010299956639813,"3,5-Diisopropylphenyl methylcarbamate"
CNC(=O)OC1C=C(C=CC=1)C(C)C,31.325,4.0,2.0,0.0,193.246,11.0,2.0,CNC(=O)OC1C=C(C=CC=1)C(C)C,1.4958910796661875,m-Cumenyl methylcarbamate
CNC(=O)OC1C=C(C=CC=1)N=CN(C)C,20.375,4.0,2.0,0.0,221.26,11.0,2.0,CNC(=O)OC1C=C(C=CC=1)N=CN(C)C,1.3090976174120141,Formetanate hydrochloride
CNC(=O)OC1C=C(C=CC=1)NC(=O)CC,1000.0,4.0,2.0,0.0,222.24399999999997,11.0,3.0,CNC(=O)OC1C=C(C=CC=1)NC(=O)CC,3.0,"Carbamic acid, methyl-, ester with 3'-hydroxypropionanilide"
CNC(=O)OC1C=C(CC)C=C(CC)C=1,1600.0,4.0,2.0,0.0,207.273,12.0,2.0,CNC(=O)OC1C=C(CC)C=C(CC)C=1,3.2041199826559246,Fenethacarb
CNC(=O)OC1C=CC(=CC=1)N(CC=C)CC=C,86.8,4.0,2.0,0.0,246.31,14.0,2.0,CNC(=O)OC1C=CC(=CC=1)N(CC=C)CC=C,1.9385197251764918,"Carbamic acid, methyl-, 4-diallylaminophenyl ester"
CNC(=O)OC1C=CC=C2C=CC=CC2=1,504.0,4.0,2.0,0.0,201.225,12.0,2.0,CNC(=O)OC1C=CC=C2C=CC=CC2=1,2.7024305364455254,Carbaryl
CNC(=O)OC1C=CC=C2SC=CC=12,70.0,4.0,2.0,0.0,207.254,10.0,2.0,CNC(=O)OC1C=CC=C2SC=CC=12,1.845098040014257,Mobam
CNC(=O)OC1C=CC=CC=1,540.0,3.0,2.0,0.0,151.165,8.0,2.0,CNC(=O)OC1C=CC=CC=1,2.7323937598229686,Phenyl methylcarbamate
CNC(=O)OC1C=CC=CC=1C(C)C,450.0,4.0,2.0,0.0,193.246,11.0,2.0,CNC(=O)OC1C=CC=CC=1C(C)C,2.6532125137753435,Isoprocarb
CNC(=O)OC1C=CC=CC=1C1OC(C)C(C)O1,110.0,4.0,3.0,0.0,251.282,13.0,4.0,CNC(=O)OC1C=CC=CC=1C1OC(C)C(C)O1,2.041392685158225,Fondaren
CNC(=O)OC1C=CC=CC=1C1OCCO1,25.0,4.0,2.0,0.0,223.22799999999995,11.0,4.0,CNC(=O)OC1C=CC=CC=1C1OCCO1,1.3979400086720377,Dioxacarb
CNC(=O)OCC1=CC(Cl)=C(Cl)C=C1,1870.0,4.0,2.0,0.0,234.082,9.0,2.0,CNC(=O)OCC1=CC(Cl)=C(Cl)C=C1,3.271841606536499,Dichlormate
CNC(=O)OCC1C=CC=C(COC(=O)NC)N=1,1230.0,4.0,3.0,0.0,253.258,11.0,4.0,CNC(=O)OCC1C=CC=C(COC(=O)NC)N=1,3.089905111439398,Pyricarbate
CNC(=O)ON=C(SC)C(=O)N(C)C,3.0,4.0,2.0,0.0,219.266,7.0,3.0,CNC(=O)ON=C(SC)C(=O)N(C)C,0.47712125471966244,Oxamyl
CNC(=O)ON=C1C(Cl)C2CC1C(C2)C#N,27.25,4.0,2.0,0.0,241.67799999999997,10.0,2.0,CNC(=O)ON=C1C(Cl)C2CC1C(C2)C#N,1.4353665066126613,Tranid
CNC(=O)ON=C1C2CC(CC2)C1(C)[N+]([O-])=O,24.0,4.0,2.0,0.0,241.24699999999996,10.0,4.0,CNC(=O)ON=C1C2CC(CC2)C1(C)[N+]([O-])=O,1.380211241711606,
CNC(=O)ON=C1CS(=O)CCS1,12.3,4.0,2.0,0.0,222.29099999999997,6.0,3.0,CNC(=O)ON=C1CS(=O)CCS1,1.089905111439398,
CNC(=O)ON=C1CSCS1,13.0,3.0,2.0,0.0,192.265,5.0,2.0,CNC(=O)ON=C1CSCS1,1.1139433523068367,
CNC(=O)ON=C1SC(=NN(C)C)SC1(C)C,1.8,4.0,3.0,0.0,276.38700000000006,9.0,2.0,CNC(=O)ON=C1SC(=NN(C)C)SC1(C)C,0.25527250510330607,
CNC(=O)ON=C1SC(C)C(=O)NC1(C)C,0.88,4.0,2.0,0.0,245.304,9.0,3.0,CNC(=O)ON=C1SC(C)C(=O)NC1(C)C,-0.05551732784983137,
CNC(=O)ON=CC(C)(C)S(C)(=O)=O,20.0,4.0,2.0,0.0,222.26599999999996,7.0,4.0,CNC(=O)ON=CC(C)(C)S(C)(=O)=O,1.3010299956639813,Aldoxycarb
CNC(=O)ON=CC(C)(C)S(C)=O,0.49,4.0,2.0,0.0,206.26699999999997,7.0,3.0,CNC(=O)ON=CC(C)(C)S(C)=O,-0.3098039199714863,Aldicarb sulfoxide
CNC(=O)ON=CC(C)(C)SC,0.65,4.0,2.0,0.0,190.26799999999997,7.0,2.0,CNC(=O)ON=CC(C)(C)SC,-0.18708664335714442,Aldicarb
CNC(=S)C=CC1=CC2OCOC=2C=C1,230.0,4.0,2.0,0.0,221.28099999999995,11.0,2.0,CNC(=S)C=CC1=CC2OCOC=2C=C1,2.361727836017593,"Cinnamamide, N-methyl-3,4-methylenedioxythio-"
CNC(=S)N(C)C,316.0,1.0,2.0,0.0,118.205,4.0,0.0,CNC(=S)N(C)C,2.499687082618404,"1,1,3-Trimethyl-2-thiourea"
CNC(=S)NN,15.0,0.0,2.0,0.0,105.166,2.0,0.0,CNC(=S)NN,1.1760912590556813,N-Methylhydrazinecarbothioamide
CNC(=S)NNC1C=C(C=C(C=1)C(F)(F)F)C(F)(F)F,414.0,4.0,3.0,0.0,317.258,10.0,0.0,CNC(=S)NNC1C=C(C=C(C=1)C(F)(F)F)C(F)(F)F,2.617000341120899,Ciba 2696-Go
CNC(C)=O,7500.0,1.0,2.0,0.0,73.095,3.0,1.0,CNC(C)=O,3.8750612633917,N-Methylacetamide
CNC(C)C#N,48.0,1.0,2.0,0.0,84.122,4.0,0.0,CNC(C)C#N,1.6812412373755872,
CNC(N)=O,10001.0,0.0,2.0,0.0,74.083,2.0,1.0,CNC(N)=O,4.000043427276863,Methylurea
CNC(N)=S,50.0,0.0,2.0,0.0,90.151,2.0,0.0,CNC(N)=S,1.6989700043360187,N-Methylthiourea
CNC(S)=S,473.375,1.0,2.0,0.0,107.203,2.0,0.0,CNC(S)=S,2.675205318128883,Metam
CNC1(CCCCC1=O)C1=CC=CC=C1Cl,447.0,4.0,2.0,0.0,237.7299999999999,13.0,1.0,CNC1(CCCCC1=O)C1=CC=CC=C1Cl,2.6503075231319366,Ketamine hydrochloride
CNC1=C2CCCCC2=NN1C,1850.0,4.0,2.0,0.0,165.23999999999998,9.0,0.0,CNC1=C2CCCCC2=NN1C,3.2671717284030137,Tetridamine
CNC1=CC=C(N)C2=C1C(=O)C1=CC=CC=C1C2=O,7500.0,4.0,3.0,0.0,252.273,15.0,2.0,CNC1=CC=C(N)C2=C1C(=O)C1=CC=CC=C1C2=O,3.8750612633917,C.I. Solvent Violet 12
CNC1=CC=C(NCCO)C2C(=O)C3C=CC=CC=3C(=O)C1=2,1345.0,4.0,3.0,0.0,296.3260000000001,17.0,3.0,CNC1=CC=C(NCCO)C2C(=O)C3C=CC=CC=3C(=O)C1=2,3.128722284338427,C.I. Disperse Blue 3
CNC1=NC(=NC(NC(C)C)=N1)SC,1695.0,4.0,1.0,0.0,213.30999999999997,8.0,0.0,CNC1=NC(=NC(NC(C)C)=N1)SC,3.229169702539101,Desmetryn
CNC1=NC(NC2=CC(=C(C=CC3C=CC(=CC=3S(O)(=O)=O)NC3=NC(NC4C=CC=CC=4)=NC(NC)=N3)C=C2)S(O)(=O)=O)=NC(NC2C=CC=CC=2)=N1,2500.0,0.0,0.0,4.0,768.8420000000003,34.0,6.0,CNC1=NC(NC2=CC(=C(C=CC3C=CC(=CC=3S(O)(=O)=O)NC3=NC(NC4C=CC=CC=4)=NC(NC)=N3)C=C2)S(O)(=O)=O)=NC(NC2C=CC=CC=2)=N1,3.3979400086720375,"Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-(methylamino)-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-"
CNC1=NC2C=C(Cl)C=CC=2O1,1000.0,3.0,2.0,0.0,182.61,8.0,1.0,CNC1=NC2C=C(Cl)C=CC=2O1,3.0,"Benzoxazole, 5-chloro-2-methylamino-"
CNC1C(O)C(OC2C(O)C(OC3OC(CN)=CCC3N)C(N)CC2N)OCC1(C)O,7500.0,3.0,1.0,2.0,447.53300000000024,19.0,7.0,CNC1C(O)C(OC2C(O)C(OC3OC(CN)=CCC3N)C(N)CC2N)OCC1(C)O,3.8750612633917,Sisomicin
CNC1C(O)C(OC2C(O)C(OC3OC(CNC)CCC3N)C(N)CC2N)OCC1(C)O,10000.0,2.0,1.0,2.0,463.5760000000002,20.0,7.0,CNC1C(O)C(OC2C(O)C(OC3OC(CNC)CCC3N)C(N)CC2N)OCC1(C)O,4.0,Micronomicin sulfate
CNC1C(O)C(OCC1(C)O)OC1C(CC(N)C(OC2OC(CN)C(O)C(O)C2O)C1O)NC(=O)C(O)CN,7500.0,0.0,1.0,3.0,569.6090000000002,22.0,12.0,CNC1C(O)C(OCC1(C)O)OC1C(CC(N)C(OC2OC(CN)C(O)C(O)C2O)C1O)NC(=O)C(O)CN,3.8750612633917,Isepamicin sulfate
CNC1C=CC(=CC=1)C(C1C=CC(=CC=1)N(C)C)=C1C=CC(C=C1)=[N+](C)C,500.0,4.0,0.0,0.0,358.50900000000007,24.0,0.0,CNC1C=CC(=CC=1)C(C1C=CC(=CC=1)N(C)C)=C1C=CC(C=C1)=[N+](C)C,2.6989700043360187,"(4-((4-(Dimethylamino)phenyl)(4-(methylamino)phenyl)methylene)cyclohexa-2,5-dien-1-ylidene)dimethylammonium acetate"
CNC1C=CC(=CC=1)C(O)(C1C=CC(=CC=1)N(C)C)C1C=CC(=CC=1)N(C)C,500.0,4.0,0.0,0.0,375.5160000000001,24.0,1.0,CNC1C=CC(=CC=1)C(O)(C1C=CC(=CC=1)N(C)C)C1C=CC(=CC=1)N(C)C,2.6989700043360187,"4,4'-Bis(dimethylamino)-4''-(methylamino)trityl alcohol"
CNC1C=CC(=CC=1)[N+]([O-])=O,3500.0,2.0,2.0,0.0,152.15300000000002,7.0,2.0,CNC1C=CC(=CC=1)[N+]([O-])=O,3.5440680443502757,N-Methyl-4-nitroaniline
CNC1C=CC(=CC=1[N+]([O-])=O)C(O)=O,2751.0,4.0,2.0,0.0,196.162,8.0,4.0,CNC1C=CC(=CC=1[N+]([O-])=O)C(O)=O,3.4394905903896835,4-(methylamino)-3-nitrobenzoic acid
CNC1C=CC(Cl)=CC=1C(=O)C1=CC=CC=C1Cl,4000.0,4.0,2.0,0.0,280.154,14.0,1.0,CNC1C=CC(Cl)=CC=1C(=O)C1=CC=CC=C1Cl,3.6020599913279625,"Benzophenone, 2',5-dichloro-2-methylamino-"
CNC1C=CC=C2C=1C(=O)C1C=CC=CC=1C2=O,3500.0,4.0,2.0,0.0,237.258,15.0,2.0,CNC1C=CC=C2C=1C(=O)C1C=CC=CC=1C2=O,3.5440680443502757,1-(Methylamino)anthraquinone
CNC1C=CC=CC=1,749.0,1.0,2.0,0.0,107.15599999999998,7.0,0.0,CNC1C=CC=CC=1,2.8744818176994666,N-Methylaniline
CNC1C=CC=CC=1C(=O)OC,3870.0,4.0,2.0,0.0,165.19199999999998,9.0,2.0,CNC1C=CC=CC=1C(=O)OC,3.5877109650189114,Methyl 2-(methylamino)benzoate
CNC1CCCCC1,414.0,2.0,2.0,0.0,113.204,7.0,0.0,CNC1CCCCC1,2.617000341120899,"Cyclohexanamine, N-methyl-"
CNC1CN(=O)=C(C2=CC(Cl)=CC=C2N=1)C1C=CC=CC=1,537.0,4.0,3.0,0.0,299.761,16.0,1.0,CNC1CN(=O)=C(C2=CC(Cl)=CC=C2N=1)C1C=CC=CC=1,2.7299742856995555,Chlordiazepoxide hydrochloride
CNC1CN(=O)=C(C2C=C(Cl)C=CC=2N=1)C1C=CC=CC=1,451.0,4.0,3.0,0.0,299.761,16.0,1.0,CNC1CN(=O)=C(C2C=C(Cl)C=CC=2N=1)C1C=CC=CC=1,2.6541765418779604,Chlordiazepoxide
CNC1N=C(NC(C)C)N=C(Cl)N=1,750.0,4.0,2.0,0.0,201.66100000000003,7.0,0.0,CNC1N=C(NC(C)C)N=C(Cl)N=1,2.8750612633917,"6-Chloro-N-methyl-N'-isopropyl-1,3,5-triazine-2,4-diamine"
CNC1N=CN=C2C=1N=CN2CC1=CC=CC=C1F,1000.0,4.0,3.0,0.0,257.272,13.0,0.0,CNC1N=CN=C2C=1N=CN2CC1=CC=CC=C1F,3.0,"9H-Purin-6-amine, 9-((2-fluorophenyl)methyl)-N-methyl-, hydrochloride"
CNC1SN=C2C=CC=CC2=1,400.0,3.0,2.0,0.0,164.233,8.0,0.0,CNC1SN=C2C=CC=CC2=1,2.6020599913279625,
CNC=O,3500.0,0.0,2.0,0.0,59.068000000000005,2.0,1.0,CNC=O,3.5440680443502757,N-Methylformamide
CNCC(O)=O,6400.0,0.0,2.0,0.0,89.09399999999998,3.0,2.0,CNCC(O)=O,3.806179973983887,"Glycine, N-methyl-, hydrochloride"
CNCC(O)C(O)C(O)C(O)CO,7500.0,3.0,1.0,0.0,195.21499999999995,7.0,5.0,CNCC(O)C(O)C(O)C(O)CO,3.8750612633917,Meglumine
CNCC(O)C1=CC(O)=C(O)C=C1,24.0,4.0,2.0,0.0,183.207,9.0,3.0,CNCC(O)C1=CC(O)=C(O)C=C1,1.380211241711606,l-Epinephrine hydrochloride
CNCC(O)C1=CC(O)=CC=C1,350.0,4.0,2.0,0.0,167.20799999999997,9.0,2.0,CNCC(O)C1=CC(O)=CC=C1,2.5440680443502757,Phenylephrine hydrochloride
CNCC(O)C1C=C(O)C(O)=CC=1,30.0,4.0,2.0,0.0,183.207,9.0,3.0,CNCC(O)C1C=C(O)C(O)=CC=1,1.4771212547196624,Epinephrine bitartrate
CNCC(O)C1C=C(O)C=CC=1,350.0,4.0,2.0,0.0,167.20799999999997,9.0,2.0,CNCC(O)C1C=C(O)C=CC=1,2.5440680443502757,Phenylephrine
CNCC12CCC(C3=CC=CC=C13)C1C=CC=CC2=1,600.0,4.0,2.0,0.0,249.357,18.0,0.0,CNCC12CCC(C3=CC=CC=C13)C1C=CC=CC2=1,2.7781512503836434,Benzoctamine
CNCC1=CC=C(CSCCN/C(/NCC(O)C2=CC=C(O)C=C2)=N/S(C)(=O)=O)O1,7500.0,4.0,1.0,0.0,456.59000000000015,19.0,5.0,CNCC1=CC=C(CSCCN/C(/NCC(O)C2=CC=C(O)C=C2)=N/S(C)(=O)=O)O1,3.8750612633917,Osutidine
CNCC1=CC=CC2=CC=CC=C21,97.0,4.0,2.0,0.0,171.24299999999997,12.0,0.0,CNCC1=CC=CC2=CC=CC=C21,1.9867717342662448,N-Methyl-N-naphthylmethylamine
CNCCC#N,2260.0,1.0,2.0,0.0,84.122,4.0,0.0,CNCCC#N,3.3541084391474008,"Propanenitrile, 3-(methylamino)-"
CNCCC(OC1C=CC(=CC=1)C(F)(F)F)C1C=CC=CC=1,638.5,4.0,2.0,0.0,309.33099999999996,17.0,1.0,CNCCC(OC1C=CC(=CC=1)C(F)(F)F)C1C=CC=CC=1,2.805160901599434,(+/-) -Fluoxetine
CNCCC1C=CC=CN=1,4570.0,3.0,2.0,0.0,136.19799999999995,8.0,0.0,CNCCC1C=CC=CN=1,3.6599162000698504,Betahistine mesylate
CNCCC=C1C2C=CC=CC=2CCC2C=CC=CC=21,453.5,4.0,2.0,0.0,263.38399999999996,19.0,0.0,CNCCC=C1C2C=CC=CC=2CCC2C=CC=CC=21,2.656577291396114,Nortriptyline hdrochloride
CNCCCC12CCC(C3C=CC=CC1=3)C1C=CC=CC2=1,796.25,4.0,2.0,0.0,277.41100000000006,20.0,0.0,CNCCCC12CCC(C3C=CC=CC1=3)C1C=CC=CC2=1,2.901049445343407,Maprotiline
CNCCCC1C2C=CC=CC=2C=CC2C=CC=CC=21,269.5,4.0,2.0,0.0,263.384,19.0,0.0,CNCCCC1C2C=CC=CC=2C=CC2C=CC=CC=21,2.4305587695227575,Protriptyline hydrochloride
CNCCCN,951.0,0.0,2.0,0.0,88.15400000000001,4.0,0.0,CNCCCN,2.978180516937414,"N-Methyl-1,3-propanediamine"
CNCCCN1C2C=CC=CC=2CCC2C=CC=CC1=2,623.0,4.0,2.0,0.0,266.388,18.0,0.0,CNCCCN1C2C=CC=CC=2CCC2C=CC=CC1=2,2.7944880466591697,Desipramine hydrochloride
CNCCC[Si](OC)(OC)OC,3500.0,4.0,1.0,0.0,193.319,7.0,3.0,CNCCC[Si](OC)(OC)OC,3.5440680443502757,"1-Propanamine, N-methyl-3-(trimethoxysilyl)-"
CNCCO,1749.0,0.0,2.0,0.0,75.11099999999999,3.0,1.0,CNCCO,3.2427898094786767,N-Methylethanolamine
CNCCOC1C=CC(CNC(=O)C2=CC(OCC)=C(C=C2)OCC)=CC=1,3000.0,4.0,1.0,0.0,372.4650000000001,21.0,4.0,CNCCOC1C=CC(CNC(=O)C2=CC(OCC)=C(C=C2)OCC)=CC=1,3.4771212547196626,"Benzamide, 3,4-diethoxy-N-(p-(2-(methylamino)ethoxy)benzyl)-"
CNCCS(O)(=O)=O,3918.0,0.0,2.0,0.0,139.176,3.0,3.0,CNCCS(O)(=O)=O,3.5930644316587177,N-Methyltaurine
CNN,32.5,0.0,2.0,0.0,46.073,1.0,0.0,CNN,1.5118833609788744,Methylhydrazine
CNNC,152.33333333333334,0.0,2.0,0.0,60.10000000000001,2.0,0.0,CNNC,2.182794945350188,"1,2-Dimethylhydrazine"
CNNCC1C=CC(=CC=1)C(=O)NC(C)C,570.0,4.0,1.0,0.0,221.304,12.0,1.0,CNNCC1C=CC(=CC=1)C(=O)NC(C)C,2.7558748556724915,Procarbazine
CNP(=O)(NC)OC1C=CC=CC=1,170.0,4.0,2.0,0.0,200.17800000000005,8.0,2.0,CNP(=O)(NC)OC1C=CC=CC=1,2.230448921378274,Diamidafos
CNS(=O)(=O)C1C=C(OC)C(N)=CC=1OC,1700.0,4.0,1.0,0.0,246.28799999999995,9.0,4.0,CNS(=O)(=O)C1C=C(OC)C(N)=CC=1OC,3.230448921378274,"Benzenesulfonamide, 4-amino-2,5-dimethoxy-N-methyl-"
CO,4894.5,1.0,2.0,0.0,32.042,1.0,1.0,CO,3.6897083328435563,Lithium methoxide
COB(OC)OC,4633.0,1.0,2.0,0.0,103.914,3.0,3.0,COB(OC)OC,3.6658623002031554,Trimethyl borate
COB1OB(OB(O1)OC)OC,3680.0,3.0,2.0,0.0,173.53499999999997,3.0,6.0,COB1OB(OB(O1)OC)OC,3.5658478186735176,Trimethoxycyclotriboroxane
COC(=NC#N)OC,1500.0,1.0,2.0,0.0,114.104,4.0,2.0,COC(=NC#N)OC,3.1760912590556813,"Carbonimidic acid, cyano-, dimethyl ester"
COC(=O)C(=C)C#N,2480.0,1.0,2.0,0.0,111.09999999999998,5.0,2.0,COC(=O)C(=C)C#N,3.3944516808262164,Methyl 2-cyanoacrylate
COC(=O)C(=C)Cl,68.0,1.0,2.0,0.0,120.53499999999998,4.0,2.0,COC(=O)C(=C)Cl,1.8325089127062364,Methyl 2-chloroacrylate
COC(=O)C(=COC)C1=CC=CC=C1OC1=CC(=NC=N1)OC1=CC=CC=C1C#N,7500.0,4.0,0.0,0.0,403.3940000000001,22.0,5.0,COC(=O)C(=COC)C1=CC=CC=C1OC1=CC(=NC=N1)OC1=CC=CC=C1C#N,3.8750612633917,Azoxystrobin
COC(=O)C(=COC)C1C=CC=CC=1COC1C=CC=C(N=1)C(F)(F)F,5626.0,4.0,0.0,0.0,367.323,18.0,4.0,COC(=O)C(=COC)C1C=CC=CC=1COC1C=CC=C(N=1)C(F)(F)F,3.750199727829182,Picoxystrobin
COC(=O)C(=O)C1C=CC=CC=1,6975.0,4.0,2.0,0.0,164.16,9.0,3.0,COC(=O)C(=O)C1C=CC=CC=1,3.8435442119456353,"Benzeneacetic acid, .alpha.-oxo-, methyl ester"
COC(=O)C(C(C)=O)C(C)=O,1700.0,2.0,2.0,0.0,158.153,7.0,4.0,COC(=O)C(C(C)=O)C(C)=O,3.230448921378274,Methyl 2-acetylacetoacetate
COC(=O)C(C)(C)C1C=CC(Br)=CC=1,2751.0,4.0,3.0,0.0,257.127,11.0,2.0,COC(=O)C(C)(C)C1C=CC(Br)=CC=1,3.4394905903896835,"METHYL 2-(4-BROMOPHENYL)-2,2-DIMETHYLACETATE"
COC(=O)C(C)(C)O,3500.0,1.0,2.0,0.0,118.132,5.0,3.0,COC(=O)C(C)(C)O,3.5440680443502757,Methyl 2-methyllactate
COC(=O)C(C)=CC1C(C(=O)OC2CC(=O)C(CC=CC)=C2C)C1(C)C,1533.0,4.0,0.0,0.0,360.45000000000016,21.0,5.0,COC(=O)C(C)=CC1C(C(=O)OC2CC(=O)C(CC=CC)=C2C)C1(C)C,3.185542154854375,Cinerin II
COC(=O)C(C)=CC1C(C(=O)OC2CC(=O)C(CC=CC=C)=C2C)C1(C)C,965.0,4.0,0.0,0.0,372.4610000000002,22.0,5.0,COC(=O)C(C)=CC1C(C(=O)OC2CC(=O)C(CC=CC=C)=C2C)C1(C)C,2.9845273133437926,Pyrethrin II
COC(=O)C(C)CCC(=O)N(C)C,3500.0,4.0,1.0,0.0,187.239,9.0,3.0,COC(=O)C(C)CCC(=O)N(C)C,3.5440680443502757,"Pentanoic acid, 5-(dimethylamino)-2-methyl-5-oxo-, methyl ester"
COC(=O)C(C)Cl,3500.0,1.0,2.0,0.0,122.551,4.0,2.0,COC(=O)C(C)Cl,3.5440680443502757,CERAPP_36561
COC(=O)C(C)N(C1=CC(Cl)=C(F)C=C1)C(=O)C1C=CC=CC=1,1200.0,4.0,2.0,0.0,335.76200000000006,17.0,3.0,COC(=O)C(C)N(C1=CC(Cl)=C(F)C=C1)C(=O)C1C=CC=CC=1,3.0791812460476247,Flamprop-methyl
COC(=O)C(C)N(C1C(C)=CC=CC=1C)C(=O)C1=CC=CO1,940.0,4.0,2.0,0.0,301.34200000000004,17.0,4.0,COC(=O)C(C)N(C1C(C)=CC=CC=1C)C(=O)C1=CC=CO1,2.9731278535996988,Furalaxyl
COC(=O)C(C)O,3500.0,0.0,2.0,0.0,104.105,4.0,3.0,COC(=O)C(C)O,3.5440680443502757,Methyl 2-hydroxypropanoate
COC(=O)C(C)OC1C=CC(=CC=1)OC1=CC=C(Cl)C=C1Cl,538.5,4.0,2.0,0.0,341.19000000000005,16.0,4.0,COC(=O)C(C)OC1C=CC(=CC=1)OC1=CC=C(Cl)C=C1Cl,2.7311857076340003,Diclofop-methyl
COC(=O)C(C)OC1C=CC(=CC=1)OC1=NC=C(C=C1Cl)C(F)(F)F,393.0,4.0,1.0,0.0,375.73,16.0,4.0,COC(=O)C(C)OC1C=CC(=CC=1)OC1=NC=C(C=C1Cl)C(F)(F)F,2.5943925503754266,Haloxyfop-methyl
COC(=O)C(C1CCCCN1)C1C=CC=CC=1,358.5,4.0,2.0,0.0,233.31099999999995,14.0,2.0,COC(=O)C(C1CCCCN1)C1C=CC=CC=1,2.554489160003819,Methylphenidate hydrochloride
COC(=O)C(C=O)C1C=CC=CC=1,750.0,4.0,2.0,0.0,178.187,10.0,3.0,COC(=O)C(C=O)C1C=CC=CC=1,2.8750612633917,"Benzeneacetic acid, .alpha.-formyl-, methyl ester"
COC(=O)C(CC1C=CC=CC=1)NC(=O)C(N)CC(O)=O,10000.0,4.0,2.0,0.0,294.307,14.0,5.0,COC(=O)C(CC1C=CC=CC=1)NC(=O)C(N)CC(O)=O,4.0,Aspartame
COC(=O)C(CCN1C=NC2C(Cl)=NC(N)=NC1=2)C(=O)OC,2751.0,4.0,2.0,0.0,327.7280000000001,12.0,4.0,COC(=O)C(CCN1C=NC2C(Cl)=NC(N)=NC1=2)C(=O)OC,3.4394905903896835,Dimethyl [2-(2-amino-6-chloro-9H-purin-9-yl)ethyl]propanedioate
COC(=O)C(Cl)CC1=CC=C(Cl)C=C1,1072.0,4.0,2.0,0.0,233.094,10.0,2.0,COC(=O)C(Cl)CC1=CC=C(Cl)C=C1,3.030194785356751,Chlorfenprop-methyl
COC(=O)C(N)CC1=CNC=N1,1858.0,3.0,2.0,0.0,169.18400000000003,7.0,2.0,COC(=O)C(N)CC1=CNC=N1,3.269045709657623,
COC(=O)C1(O)C2C=C(Cl)C=CC=2C2C=CC=CC1=2,3100.0,4.0,3.0,0.0,274.70300000000003,15.0,3.0,COC(=O)C1(O)C2C=C(Cl)C=CC=2C2C=CC=CC1=2,3.4913616938342726,Chlorflurenol-methyl
COC(=O)C1=C(Cl)C(Cl)=C(C(Cl)=C1Cl)C(=O)OC,5625.0,4.0,2.0,0.0,331.966,10.0,4.0,COC(=O)C1=C(Cl)C(Cl)=C(C(Cl)=C1Cl)C(=O)OC,3.7501225267834,Chlorthal-dimethyl
COC(=O)C1=CC(=CC(=C1)C(=O)OC)[N+]([O-])=O,10000.0,4.0,2.0,0.0,239.183,10.0,6.0,COC(=O)C1=CC(=CC(=C1)C(=O)OC)[N+]([O-])=O,4.0,Dimethyl 5-nitroisophthalate
COC(=O)C1=CC(=CC=C1)C(=O)OC,3945.0,4.0,2.0,0.0,194.186,10.0,4.0,COC(=O)C1=CC(=CC=C1)C(=O)OC,3.596047007545439,Dimethyl isophthalate
COC(=O)C1=CC2C=CC(=CC=2C=C1)C(=O)OC,4501.0,4.0,2.0,0.0,244.246,14.0,4.0,COC(=O)C1=CC2C=CC(=CC=2C=C1)C(=O)OC,3.653309012938479,"Dimethyl 2,6-naphthalenedicarboxylate"
COC(=O)C1=CC2NC(=NC=2C=C1)C(F)(F)F,22.318,4.0,2.0,0.0,244.17199999999997,10.0,2.0,COC(=O)C1=CC2NC(=NC=2C=C1)C(F)(F)F,1.3486552732457648,"Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, methyl ester"
COC(=O)C1=CC=C(C=C1[N+]([O-])=O)C(=O)OC,2751.0,4.0,2.0,0.0,239.18299999999996,10.0,6.0,COC(=O)C1=CC=C(C=C1[N+]([O-])=O)C(=O)OC,3.4394905903896835,Dimethyl nitroterephthalate
COC(=O)C1=CC=C(C=C1[N+]([O-])=O)C(O)=O,2751.0,4.0,2.0,0.0,225.156,9.0,6.0,COC(=O)C1=CC=C(C=C1[N+]([O-])=O)C(O)=O,3.4394905903896835,Methyl hydrogen 2-nitroterephthalate
COC(=O)C1=CC=CC=C1C(=O)C1=CC=C(C=C1)OCCN1CCCCC1,3600.0,4.0,0.0,0.0,367.44500000000016,22.0,4.0,COC(=O)C1=CC=CC=C1C(=O)C1=CC=C(C=C1)OCCN1CCCCC1,3.5563025007672873,Pitofenone
COC(=O)C1=CC=CC=C1C1=C2C=C(C)C(=CC2=[O+]C2C=C(NCC)C(C)=CC=21)NCC,449.0,2.0,0.0,1.0,429.54000000000013,27.0,3.0,COC(=O)C1=CC=CC=C1C1=C2C=C(C)C(=CC2=[O+]C2C=C(NCC)C(C)=CC=21)NCC,2.6522463410033232,"Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, chloride (1:1)"
COC(=O)C1=CC=CC=C1N=NC(C)CC1C=CC(=CC=1)C(C)(C)C,3000.0,4.0,2.0,1.0,338.4510000000001,21.0,2.0,COC(=O)C1=CC=CC=C1N=NC(C)CC1C=CC(=CC=1)C(C)(C)C,3.4771212547196626,"Methyl 2-[[3-[4-(1,1-dimethylethyl)phenyl]-2-methylpropylidene]amino]benzoate"
COC(=O)C1=CC=CO1,300.0,1.0,2.0,0.0,126.11099999999998,6.0,3.0,COC(=O)C1=CC=CO1,2.4771212547196626,"2-Furancarboxylic acid, methyl ester"
COC(=O)C1=NC(Cl)=C(Cl)N=C1N,2751.0,3.0,2.0,0.0,222.031,6.0,2.0,COC(=O)C1=NC(Cl)=C(Cl)N=C1N,3.4394905903896835,"Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate"
COC(=O)C1=NC=CN=C1N,2751.0,1.0,2.0,0.0,153.141,6.0,2.0,COC(=O)C1=NC=CN=C1N,3.4394905903896835,Methyl 3-aminopyrazinecarboxylate
COC(=O)C1C(=O)C(C(CCC)=NOCC=C)C(=O)CC1(C)C,2260.0,4.0,2.0,0.0,323.38900000000007,17.0,5.0,COC(=O)C1C(=O)C(C(CCC)=NOCC=C)C(=O)CC1(C)C,3.3541084391474008,Alloxydim
COC(=O)C1C(C(C(=O)OC2CN(CC3C=CC=CC=3)CC2)C(C)=NC=1C)C1C=C(C=CC=1)[N+]([O-])=O,105.0,2.0,0.0,0.0,491.5440000000002,27.0,6.0,COC(=O)C1C(C(C(=O)OC2CN(CC3C=CC=CC=3)CC2)C(C)=NC=1C)C1C=C(C=CC=1)[N+]([O-])=O,2.0211892990699383,Barnidipine hydrochloride
COC(=O)C1C(C(C(=O)OC2CN(CC3C=CC=CC=3)CCC2)=C(C)N=C1C)C1C=C(C=CC=1)[N+]([O-])=O,87.6,2.0,0.0,1.0,505.5710000000002,28.0,6.0,COC(=O)C1C(C(C(=O)OC2CN(CC3C=CC=CC=3)CCC2)=C(C)N=C1C)C1C=C(C=CC=1)[N+]([O-])=O,1.9425041061680808,rac Benidipine hydrochloride
COC(=O)C1C(C(C(=O)OCC(C)(C)CN(C)CC2=CC=CC=C2)C(C)=NC=1C)C1C=C(C=CC=1F)[N+]([O-])=O,30.54,1.0,0.0,2.0,539.6040000000003,29.0,6.0,COC(=O)C1C(C(C(=O)OCC(C)(C)CN(C)CC2=CC=CC=C2)C(C)=NC=1C)C1C=C(C=CC=1F)[N+]([O-])=O,1.4848690327204024,Palonidipine
COC(=O)C1C(C(C(=O)OCC(C)=O)C(C)=NC=1C)C1C=CC=CC=1[N+]([O-])=O,1459.0,4.0,1.0,0.0,388.3760000000001,19.0,7.0,COC(=O)C1C(C(C(=O)OCC(C)=O)C(C)=NC=1C)C1C=CC=CC=1[N+]([O-])=O,3.1640552918934515,Aranidipine
COC(=O)C1C(C(C(=O)OCC)=C(C)N=C1C)C1=CC(=CC=C1)[N+]([O-])=O,10001.0,4.0,1.0,0.0,360.366,18.0,6.0,COC(=O)C1C(C(C(=O)OCC)=C(C)N=C1C)C1=CC(=CC=C1)[N+]([O-])=O,4.000043427276863,Nitrendipine
COC(=O)C1C(C(C(=O)OCC)C(C)=NC=1C)C1C=CC=C(Cl)C=1Cl,1050.0,4.0,0.0,0.0,384.259,18.0,4.0,COC(=O)C1C(C(C(=O)OCC)C(C)=NC=1C)C1C=CC=C(Cl)C=1Cl,3.0211892990699383,Felodipine
COC(=O)C1C(C(C(=O)OCCN(C)CC2C=CC=CC=2)=C(C)N=C1C)C1=CC(=CC=C1)[N+]([O-])=O,320.0,3.0,0.0,0.0,479.5330000000002,26.0,6.0,COC(=O)C1C(C(C(=O)OCCN(C)CC2C=CC=CC=2)=C(C)N=C1C)C1=CC(=CC=C1)[N+]([O-])=O,2.505149978319906,Nicardipine
COC(=O)C1C(C(C(=O)OCCN(C)CC2C=CC=CC=2)C(C)=NC=1C)C1C=C(C=CC=1)[N+]([O-])=O,184.0,3.0,0.0,0.0,479.5330000000002,26.0,6.0,COC(=O)C1C(C(C(=O)OCCN(C)CC2C=CC=CC=2)C(C)=NC=1C)C1C=C(C=CC=1)[N+]([O-])=O,2.2648178230095364,Nicardipine hydrochloride
COC(=O)C1C(C(C(=O)OCCN2CCN(CC2)C(C2C=CC=CC=2)C2C=CC=CC=2)=C(C)N=C1C)C1C=C(C=CC=1)[N+]([O-])=O,156.0,1.0,0.0,2.0,610.7110000000002,35.0,6.0,COC(=O)C1C(C(C(=O)OCCN2CCN(CC2)C(C2C=CC=CC=2)C2C=CC=CC=2)=C(C)N=C1C)C1C=C(C=CC=1)[N+]([O-])=O,2.1931245983544616,Manidipine dihydrochloride
COC(=O)C1C(Cl)=C(Cl)C(=C(Cl)C=1Cl)C(=O)SC,3300.0,4.0,2.0,0.0,348.0340000000001,10.0,3.0,COC(=O)C1C(Cl)=C(Cl)C(=C(Cl)C=1Cl)C(=O)SC,3.5185139398778875,Glenbar
COC(=O)C1C2=CC3=C(C(=O)C4C(=CC=CC=4O)C3=O)C(O)=C2C(CC1(O)CC)OC1CC(C(OC2CC(O)C(OC3CCC(=O)C(C)O3)C(C)O2)C(C)O1)N(C)C,58.56,1.0,1.0,3.0,811.8780000000002,42.0,15.0,COC(=O)C1C2=CC3=C(C(=O)C4C(=CC=CC=4O)C3=O)C(O)=C2C(CC1(O)CC)OC1CC(C(OC2CC(O)C(OC3CCC(=O)C(C)O3)C(C)O2)C(C)O1)N(C)C,1.7676010680503356,Aclarubicin hydrochloride
COC(=O)C1C2CC(C=C2)C1C(=O)OC,1000.0,4.0,2.0,0.0,210.22899999999996,11.0,4.0,COC(=O)C1C2CC(C=C2)C1C(=O)OC,3.0,"Dimethyl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate"
COC(=O)C1C=C(C=CC=1Cl)[N+]([O-])=O,5360.0,4.0,2.0,0.0,215.592,8.0,4.0,COC(=O)C1C=C(C=CC=1Cl)[N+]([O-])=O,3.72916478969277,"Benzoic acid, 2-chloro-5-nitro-, methyl ester"
COC(=O)C1C=C(C=CC=1[N+]([O-])=O)OC1=CC=C(Cl)C=C1Cl,6400.0,4.0,2.0,0.0,342.1340000000001,14.0,5.0,COC(=O)C1C=C(C=CC=1[N+]([O-])=O)OC1=CC=C(Cl)C=C1Cl,3.806179973983887,Bifenox
COC(=O)C1C=C(CCN(C)CC2C=CC=CC=2)C=CC=1,700.0,4.0,2.0,0.0,283.371,18.0,2.0,COC(=O)C1C=C(CCN(C)CC2C=CC=CC=2)C=CC=1,2.845098040014257,
COC(=O)C1C=C(N)C(=CC=1)C(=O)OC,2751.0,4.0,2.0,0.0,209.20099999999996,10.0,4.0,COC(=O)C1C=C(N)C(=CC=1)C(=O)OC,3.4394905903896835,Dimethyl aminoterephthalate
COC(=O)C1C=CC(=CC=1)C(=O)OC,5215.0,4.0,2.0,0.0,194.186,10.0,4.0,COC(=O)C1C=CC(=CC=1)C(=O)OC,3.7172543127625497,Dimethyl terephthalate
COC(=O)C1C=CC(=CC=1)N1CCC(=N1)C1C=CC(Cl)=CC=1,7500.0,4.0,2.0,0.0,314.772,17.0,2.0,COC(=O)C1C=CC(=CC=1)N1CCC(=N1)C1C=CC(Cl)=CC=1,3.8750612633917,"Benzoic acid, 4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-, methyl ester"
COC(=O)C1C=CC(=CC=1)N=NN(C)C,52.0,4.0,2.0,0.0,207.233,10.0,2.0,COC(=O)C1C=CC(=CC=1)N=NN(C)C,1.7160033436347992,
COC(=O)C1C=CC(=CC=1)OC,7500.0,4.0,2.0,0.0,166.176,9.0,3.0,COC(=O)C1C=CC(=CC=1)OC,3.8750612633917,Methyl 4-methoxybenzoate
COC(=O)C1C=CC(=CC=1N)C(=O)NC1=CC(Cl)=CC=C1Cl,1445.0,4.0,2.0,0.0,339.17800000000005,15.0,3.0,COC(=O)C1C=CC(=CC=1N)C(=O)NC1=CC(Cl)=CC=C1Cl,3.1598678470925665,"Benzoic acid, 2-amino-4-[[(2,5-dichlorophenyl)amino]carbonyl]-, methyl ester"
COC(=O)C1C=CC(=CC=1[N+]([O-])=O)C#N,2751.0,4.0,2.0,0.0,206.157,9.0,4.0,COC(=O)C1C=CC(=CC=1[N+]([O-])=O)C#N,3.4394905903896835,4-Cyano-2nitrobenzoic acid methyl ester
COC(=O)C1C=CC(Br)=CC=1,3500.0,3.0,2.0,0.0,215.046,8.0,2.0,COC(=O)C1C=CC(Br)=CC=1,3.5440680443502757,"Benzoic acid, 4-bromo-, methyl ester"
COC(=O)C1C=CC(O)=CC=1,5925.5,1.0,2.0,0.0,152.149,8.0,3.0,COC(=O)C1C=CC(O)=CC=1,3.772725002459211,Methylparaben sodium
COC(=O)C1C=CC=C(Cl)C=1NS(=O)(=O)C1N=C2C=C(F)N=C(OCC)N2N=1,7500.0,4.0,1.0,0.0,429.8170000000002,15.0,5.0,COC(=O)C1C=CC=C(Cl)C=1NS(=O)(=O)C1N=C2C=C(F)N=C(OCC)N2N=1,3.8750612633917,Cloransulam-methyl
COC(=O)C1C=CC=CC=1,1859.0,1.0,2.0,0.0,136.14999999999998,8.0,2.0,COC(=O)C1C=CC=CC=1,3.2692793897718984,Methyl benzoate
COC(=O)C1C=CC=CC=1C(=O)C1C=CC=CC=1,3500.0,4.0,2.0,0.0,240.258,15.0,3.0,COC(=O)C1C=CC=CC=1C(=O)C1C=CC=CC=1,3.5440680443502757,Methyl o-benzoylbenzoate
COC(=O)C1C=CC=CC=1C(=O)OC,4338.0,4.0,2.0,0.0,194.18599999999995,10.0,4.0,COC(=O)C1C=CC=CC=1C(=O)OC,3.6372895476781744,Dimethyl phthalate
COC(=O)C1C=CC=CC=1N,2910.0,3.0,2.0,0.0,151.16499999999996,8.0,2.0,COC(=O)C1C=CC=CC=1N,3.4638929889859074,Methyl 2-aminobenzoate
COC(=O)C1C=CC=CC=1O,1370.0,1.0,2.0,0.0,152.14899999999997,8.0,3.0,COC(=O)C1C=CC=CC=1O,3.1367205671564067,"Benzoic acid, 2-hydroxy-, methyl ester, sodium salt"
COC(=O)C1C=CC=CC=1OC,3800.0,4.0,2.0,0.0,166.17599999999996,9.0,3.0,COC(=O)C1C=CC=CC=1OC,3.57978359661681,Methyl 2-methoxybenzoate
COC(=O)C1C=CC=CC=1S(=O)(=O)NC(=O)NC1N=C(C=C(N=1)OC(F)F)OC(F)F,5050.0,4.0,1.0,0.0,468.34100000000007,15.0,7.0,COC(=O)C1C=CC=CC=1S(=O)(=O)NC(=O)NC1N=C(C=C(N=1)OC(F)F)OC(F)F,3.7032913781186614,Primisulfuron-methyl
COC(=O)C1C=CC=CC=1S(=O)(=O)NC(=O)NC1N=C(NC)N=C(N=1)OCC,6251.0,4.0,1.0,0.0,410.4120000000002,15.0,6.0,COC(=O)C1C=CC=CC=1S(=O)(=O)NC(=O)NC1N=C(NC)N=C(N=1)OCC,3.7959494989028033,Ethametsulfuron-methyl
COC(=O)C1CC(=O)C(CC1=O)C(=O)OC,8875.0,3.0,2.0,0.0,228.19999999999996,10.0,6.0,COC(=O)C1CC(=O)C(CC1=O)C(=O)OC,3.9481683617271317,Dimethyl succinylsuccinate
COC(=O)C1CCCCC1,3881.0,2.0,2.0,0.0,142.19799999999998,8.0,2.0,COC(=O)C1CCCCC1,3.588943642740015,Methyl cyclohexanecarboxylate
COC(=O)C1CCCO1,3500.0,1.0,2.0,0.0,130.143,6.0,3.0,COC(=O)C1CCCO1,3.5440680443502757,Methyl (2R)-oxolane-2-carboxylate
COC(=O)C=C,411.0,1.0,2.0,0.0,86.08999999999999,4.0,2.0,COC(=O)C=C,2.6138418218760693,Methyl acrylate
COC(=O)C=C(CC(=O)OC)OP(=O)(OC)OC,31.0,4.0,2.0,0.0,282.185,9.0,8.0,COC(=O)C=C(CC(=O)OC)OP(=O)(OC)OC,1.4913616938342726,Dimethyl 3-hydroxyglutaconate dimethyl phosphate
COC(=O)C=C1CCCC1,3362.0,2.0,2.0,0.0,140.182,8.0,2.0,COC(=O)C=C1CCCC1,3.526597709103452,Methyl cyclopentylideneacetate
COC(=O)C=CC(=O)OC,1703.0,1.0,2.0,0.0,144.12599999999998,6.0,4.0,COC(=O)C=CC(=O)OC,3.231214647962601,Dimethyl maleate
COC(=O)C=CC1C=CC=CC=1,2610.0,4.0,2.0,0.0,162.188,10.0,2.0,COC(=O)C=CC1C=CC=CC=1,3.416640507338281,Methyl cinnamate
COC(=O)CBr,175.0,1.0,2.0,0.0,152.97500000000002,3.0,2.0,COC(=O)CBr,2.2430380486862944,Methyl bromoacetate
COC(=O)CC#N,2188.0,1.0,2.0,0.0,99.089,4.0,2.0,COC(=O)CC#N,3.340047317661393,Methyl cyanoacetate
COC(=O)CC(=C)C(=O)OC,3500.0,2.0,2.0,0.0,158.15299999999996,7.0,4.0,COC(=O)CC(=C)C(=O)OC,3.5440680443502757,Dimethyl itaconate
COC(=O)CC(=CC(=O)OC)OP(=O)(OCC)OCC,2.0,4.0,2.0,0.0,310.23900000000003,11.0,8.0,COC(=O)CC(=CC(=O)OC)OP(=O)(OCC)OCC,0.3010299956639812,
COC(=O)CC(=O)CC(=O)OC,4697.0,3.0,2.0,0.0,174.152,7.0,5.0,COC(=O)CC(=O)CC(=O)OC,3.671820560183249,"Pentanedioic acid, 3-oxo-, dimethyl ester"
COC(=O)CC(=O)OC,5331.0,1.0,2.0,0.0,132.115,5.0,4.0,COC(=O)CC(=O)OC,3.726808682524964,Dimethyl malonate
COC(=O)CC(C)(C)C=C,7500.0,3.0,2.0,0.0,142.19799999999998,8.0,2.0,COC(=O)CC(C)(C)C=C,3.8750612633917,"Methyl 3,3-dimethylpent-4-enoate"
COC(=O)CC1C=CC=C2C=CC=CC2=1,1900.0,4.0,2.0,0.0,200.237,13.0,2.0,COC(=O)CC1C=CC=C2C=CC=CC2=1,3.278753600952829,Methyl 1-naphthaleneacetate
COC(=O)CC1C=CC=CC=1,2587.0,3.0,2.0,0.0,150.177,9.0,2.0,COC(=O)CC1C=CC=CC=1,3.4127964287165433,Methyl phenylacetate
COC(=O)CC1CCCCC1,2854.0,3.0,2.0,0.0,156.22499999999997,9.0,2.0,COC(=O)CC1CCCCC1,3.4554539687786283,Methylcyclohexylacetate
COC(=O)CCBr,1600.0,2.0,2.0,0.0,167.002,4.0,2.0,COC(=O)CCBr,3.2041199826559246,"Propanoic acid, 3-bromo-, methyl ester"
COC(=O)CCC(=O)OC,5946.0,2.0,2.0,0.0,146.142,6.0,4.0,COC(=O)CCC(=O)OC,3.774224904868919,Dimethyl succinate
COC(=O)CCC(=O)OC1C2SC(Cl)=CC=2S(=O)(=O)N(C)C=1C(=O)NC1=CC=CC=N1,7.51,3.0,1.0,0.0,485.9270000000002,18.0,7.0,COC(=O)CCC(=O)OC1C2SC(Cl)=CC=2S(=O)(=O)N(C)C=1C(=O)NC1=CC=CC=N1,0.8756399370041684,"Butanedioic acid, 6-chloro-2-methyl-3-((2-pyridinylamino)carbonyl)-2H-thieno(2,3-e)-1,2-thiazin-4-yl methyl ester, S,S-dioxide"
COC(=O)CCC1C=C(C(O)=C(C=1)C(C)(C)C)N1N=C2C=CC=CC2=N1,6251.0,4.0,1.0,0.0,353.42200000000014,20.0,3.0,COC(=O)CCC1C=C(C(O)=C(C=1)C(C)(C)C)N1N=C2C=CC=CC2=N1,3.7959494989028033,"Benzenepropanoic acid, 3-(2H-benzotriazol-2-yl)-5-(1,1-dimethylethyl)-4-hydroxy-, methyl ester"
COC(=O)CCCC(=O)OC,4501.0,3.0,2.0,0.0,160.169,7.0,4.0,COC(=O)CCCC(=O)OC,3.653309012938479,Dimethyl glutarate
COC(=O)CCCCC(=O)OC,6251.0,4.0,2.0,0.0,174.196,8.0,4.0,COC(=O)CCCCC(=O)OC,3.7959494989028033,Dimethyl adipate
COC(=O)CCCCC(=O)OC=C,6200.0,4.0,2.0,0.0,186.207,9.0,4.0,COC(=O)CCCCC(=O)OC=C,3.792391689498254,"Adipic acid, methyl vinyl ester"
COC(=O)CCCCCC(=O)OC,3500.0,4.0,1.0,0.0,188.223,9.0,4.0,COC(=O)CCCCCC(=O)OC,3.5440680443502757,"Heptanedioic acid, dimethyl ester"
COC(=O)CCCCCCCC(=O)OC,3500.0,4.0,1.0,0.0,216.27699999999996,11.0,4.0,COC(=O)CCCCCCCC(=O)OC,3.5440680443502757,Dimethyl nonanedioate
COC(=O)CCCCCCCC=C,2751.0,4.0,1.0,0.0,184.279,11.0,2.0,COC(=O)CCCCCCCC=C,3.4394905903896835,methyl 9-decenoate
COC(=O)CCCCCCCCC(=O)OC,3500.0,4.0,1.0,0.0,230.30399999999997,12.0,4.0,COC(=O)CCCCCCCCC(=O)OC,3.5440680443502757,Dimethyl decanedioate
COC(=O)CCCCCCCCC=C,1563.0,4.0,1.0,0.0,198.306,12.0,2.0,COC(=O)CCCCCCCCC=C,3.193958978019187,Methyl 10-undecenoate
COC(=O)CCCCCCCCCCCCCCCCC(=O)OC,3500.0,4.0,1.0,1.0,342.52000000000004,20.0,4.0,COC(=O)CCCCCCCCCCCCCCCCC(=O)OC,3.5440680443502757,Dimethyl octadecanedioate
COC(=O)CCC[N+](C)(C)C,478.0,4.0,1.0,0.0,160.237,8.0,2.0,COC(=O)CCC[N+](C)(C)C,2.6794278966121188,Carpronium
COC(=O)CCS,194.0,1.0,2.0,0.0,120.17300000000002,4.0,2.0,COC(=O)CCS,2.287801729930226,Methyl 3-sulfanylpropanoate
COC(=O)CCl,107.0,1.0,2.0,0.0,108.52400000000002,3.0,2.0,COC(=O)CCl,2.0293837776852097,Methyl chloroacetate
COC(=O)CF,3.5,1.0,2.0,0.0,92.06900000000002,3.0,2.0,COC(=O)CF,0.5440680443502757,"Acetic acid, fluoro-, methyl ester"
COC(=O)CS,146.5,1.0,2.0,0.0,106.146,3.0,2.0,COC(=O)CS,2.1658376246901283,Methyl thioglycolate
COC(=O)CSC1C=C(N=C2SC(=O)N3CCCCN32)C(F)=CC=1Cl,7500.0,4.0,2.0,0.0,403.88800000000026,15.0,3.0,COC(=O)CSC1C=C(N=C2SC(=O)N3CCCCN32)C(F)=CC=1Cl,3.8750612633917,Fluthiacet-methyl
COC(=O)C[N+]([O-])=O,3770.0,0.0,2.0,0.0,119.076,3.0,4.0,COC(=O)C[N+]([O-])=O,3.576341350205793,Nitroacetic acid methyl ester
COC(=O)Cl,118.0,1.0,2.0,0.0,94.497,2.0,2.0,COC(=O)Cl,2.0718820073061255,Methyl chlorocarbonate
COC(=O)N(C1C=CC(=CC=1)OC(F)(F)F)C(=O)N1COC2(CC3C=C(Cl)C=CC=3C2=N1)C(=O)OC,817.0,3.0,1.0,1.0,527.8390000000002,22.0,7.0,COC(=O)N(C1C=CC(=CC=1)OC(F)(F)F)C(=O)N1COC2(CC3C=C(Cl)C=CC=3C2=N1)C(=O)OC,2.9122220565324155,Indoxacarb
COC(=O)N=NCC1C=[N+]([O-])C2C=CC=CC=2[N+]=1[O-],850.0,4.0,3.0,0.0,262.225,11.0,4.0,COC(=O)N=NCC1C=[N+]([O-])C2C=CC=CC=2[N+]=1[O-],2.929418925714293,Carbadox
COC(=O)NC(=S)NC1C=CC(=CC=1[N+]([O-])=O)OCC1C=CC=CC=1,3500.0,4.0,2.0,0.0,361.3790000000001,16.0,5.0,COC(=O)NC(=S)NC1C=CC(=CC=1[N+]([O-])=O)OCC1C=CC=CC=1,3.5440680443502757,"Carbamic acid, (((2-nitro-4-(phenylmethoxy)phenyl)amino)thioxomethyl)-, methyl ester"
COC(=O)NC(=S)NC1C=CC=CC=1NC(=S)NC(=O)OC,7285.0,4.0,3.0,0.0,342.4020000000001,12.0,4.0,COC(=O)NC(=S)NC1C=CC=CC=1NC(=S)NC(=O)OC,3.862429556106009,Thiophanate-methyl
COC(=O)NC1=CC(Cl)=C(Cl)C=C1,1901.0,4.0,2.0,0.0,220.055,8.0,2.0,COC(=O)NC1=CC(Cl)=C(Cl)C=C1,3.278982116865443,Swep
COC(=O)NC1=NC2C=CC=CC=2N1C(=O)NCCCCCC#N,2500.0,4.0,3.0,0.0,329.3600000000002,16.0,3.0,COC(=O)NC1=NC2C=CC=CC=2N1C(=O)NCCCCCC#N,3.3979400086720375,Cypendazole
COC(=O)NC1NC2=CC(=CC=C2N=1)C(=O)C1C=CC(F)=CC=1,2560.0,4.0,3.0,0.0,313.288,16.0,3.0,COC(=O)NC1NC2=CC(=CC=C2N=1)C(=O)C1C=CC(F)=CC=1,3.4082399653118496,Flubendazole
COC(=O)NC1NC2=CC=C(C=C2N=1)SC1C=CC=CC=1,10000.0,4.0,2.0,0.0,299.355,15.0,2.0,COC(=O)NC1NC2=CC=C(C=C2N=1)SC1C=CC=CC=1,4.0,Fenbendazole
COC(=O)NC1NC2=CC=CC=C2N=1,8025.0,4.0,2.0,0.0,191.19000000000003,9.0,2.0,COC(=O)NC1NC2=CC=CC=C2N=1,3.90444504107691,Carbendazim hydrobromide
COC(=O)NC1NC2C=C(C=CC=2N=1)OCC1C=CC=CC=1,4500.0,4.0,3.0,0.0,297.314,16.0,3.0,COC(=O)NC1NC2C=C(C=CC=2N=1)OCC1C=CC=CC=1,3.6532125137753435,"Carbamic acid, (5-(phenylmethoxy)-1H-benzimidazol-2-yl)-, methyl ester"
COC(=O)NC1NC2C=CC(=CC=2N=1)C(=O)C1C=CC=CC=1,714.0,4.0,3.0,0.0,295.298,16.0,3.0,COC(=O)NC1NC2C=CC(=CC=2N=1)C(=O)C1C=CC=CC=1,2.8536982117761744,Mebendazole
COC(=O)NC1NC2C=CC=CC=2N=1,8750.5,4.0,2.0,0.0,191.19000000000003,9.0,2.0,COC(=O)NC1NC2C=CC=CC=2N=1,3.9420328691408253,Lignasan BLP
COC(=O)NCCC[Si](OC)(OC)OC,3500.0,4.0,1.0,0.0,237.32799999999995,8.0,5.0,COC(=O)NCCC[Si](OC)(OC)OC,3.5440680443502757,Methyl [3-(trimethoxysilyl)propyl]carbamate
COC(=O)NS(=O)(=O)C1C=CC(N)=CC=1,3500.0,4.0,2.0,0.0,230.245,8.0,4.0,COC(=O)NS(=O)(=O)C1C=CC(N)=CC=1,3.5440680443502757,Asulam
COC(=O)OC,9938.0,1.0,2.0,0.0,90.078,3.0,3.0,COC(=O)OC,3.997298992409514,Dimethyl carbonate
COC(=O)OC(=O)OC,316.0,1.0,2.0,0.0,134.087,4.0,5.0,COC(=O)OC(=O)OC,2.499687082618404,Dimethyl dicarbonate
COC(=O)OC1CCCC=CCC1,3237.0,4.0,2.0,0.0,184.235,10.0,3.0,COC(=O)OC1CCCC=CCC1,3.5101426994025733,"Carbonic acid, 4-cycloocten-1-yl methyl ester"
COC(=O)OCC,6251.0,1.0,2.0,0.0,104.105,4.0,3.0,COC(=O)OCC,3.7959494989028033,"Carbonic acid, ethyl methyl ester"
COC(=O)OCCC=CCC,7500.0,3.0,2.0,0.0,158.197,8.0,3.0,COC(=O)OCCC=CCC,3.8750612633917,(3Z)-Hex-3-en-1-yl methyl carbonate
COC(=S)SSC(=S)OC,240.0,3.0,2.0,0.0,214.358,4.0,2.0,COC(=S)SSC(=S)OC,2.380211241711606,Dimexano
COC(C)(C)C,3825.0,1.0,2.0,0.0,88.14999999999999,5.0,1.0,COC(C)(C)C,3.5826314394896364,Methyl tert-butyl ether
COC(C)(C)C1CC=C(C)CC1,7500.0,4.0,2.0,0.0,168.27999999999994,11.0,1.0,COC(C)(C)C1CC=C(C)CC1,3.8750612633917,"Cyclohexene, 4-(1-methoxy-1-methylethyl)-1-methyl-"
COC(C)(C)C=NOC(=O)NC,15.0,4.0,2.0,0.0,174.19999999999996,7.0,3.0,COC(C)(C)C=NOC(=O)NC,1.1760912590556813,
COC(C)(C)CCO,3500.0,2.0,2.0,0.0,118.176,6.0,2.0,COC(C)(C)CCO,3.5440680443502757,3-Methoxy-3-methylbutan-1-ol
COC(C)(CCC=C(C)C)C=C,7500.0,4.0,1.0,0.0,168.27999999999997,11.0,1.0,COC(C)(CCC=C(C)C)C=C,3.8750612633917,CERAPP_42220
COC(C)=NC#N,432.0,1.0,2.0,0.0,98.105,4.0,1.0,COC(C)=NC#N,2.635483746814912,"Ethanimidic acid, N-cyano-, methyl ester"
COC(C)=O,6727.0,1.0,2.0,0.0,74.079,3.0,2.0,COC(C)=O,3.827821427682802,Methyl acetate
COC(C)CCO,2751.0,1.0,2.0,0.0,104.149,5.0,2.0,COC(C)CCO,3.4394905903896835,3-Methoxybutan-1-ol
COC(C)CCOC(C)=O,4210.0,2.0,2.0,0.0,146.18599999999998,7.0,3.0,COC(C)CCOC(C)=O,3.6242820958356683,3-Methoxybutyl acetate
COC(C)CO,5710.0,1.0,2.0,0.0,90.122,4.0,2.0,COC(C)CO,3.756636108245848,2-Methoxy-1-propanol
COC(C1CCCCC1N1CCCCC1)C1C=CC(=CC=1)OC,92.0,4.0,2.0,0.0,317.47300000000007,20.0,2.0,COC(C1CCCCC1N1CCCCC1)C1C=CC(=CC=1)OC,1.9637878273455553,
COC(C=CC1C=CC=CC=1)OC,3700.0,4.0,2.0,0.0,178.231,11.0,2.0,COC(C=CC1C=CC=CC=1)OC,3.568201724066995,"Benzene, (3,3-dimethoxy-1-propenyl)-"
COC(CC1C=CC=CC=1)OC,7500.0,4.0,2.0,0.0,166.21999999999997,10.0,2.0,COC(CC1C=CC=CC=1)OC,3.8750612633917,"(2,2-Dimethoxyethyl)benzene"
COC(CCl)OC1C=CC=CC=1OC(=O)NC,35.4,4.0,3.0,0.0,259.68899999999996,11.0,4.0,COC(CCl)OC1C=CC=CC=1OC(=O)NC,1.5490032620257879,Cloethocarb
COC(CN)OC,3700.0,0.0,2.0,0.0,105.137,4.0,2.0,COC(CN)OC,3.568201724066995,"Ethanamine, 2,2-dimethoxy-"
COC(CN1CCN(CCC(O)C2C=CC=CC=2)CC1)C1C=CC=CC=1,640.0,4.0,1.0,0.0,354.49400000000014,22.0,2.0,COC(CN1CCN(CCC(O)C2C=CC=CC=2)CC1)C1C=CC=CC=1,2.806179973983887,
COC(F)(F)C(C(F)(F)F)C(F)(F)F,175.0,2.0,2.0,0.0,232.06999999999996,5.0,1.0,COC(F)(F)C(C(F)(F)F)C(F)(F)F,2.2430380486862944,"1,1,1,3,3-Pentafluoro-3-methoxy-2-(trifluoromethyl)propane"
COC(F)(F)C(Cl)Cl,3600.0,2.0,2.0,0.0,164.966,3.0,1.0,COC(F)(F)C(Cl)Cl,3.5563025007672873,Methoxyflurane
COC(N)=N,3700.0,0.0,2.0,0.0,74.08300000000001,2.0,1.0,COC(N)=N,3.568201724066995,"Carbamimidic acid, methyl ester, hydrochloride (1:1)"
COC(N)=O,3200.0,1.0,2.0,0.0,75.067,2.0,2.0,COC(N)=O,3.505149978319906,Methyl carbamate
COC(OC)C1C=CC=CC=1,1220.0,3.0,2.0,0.0,152.19299999999998,9.0,2.0,COC(OC)C1C=CC=CC=1,3.0863598306747484,"Benzene, (dimethoxymethyl)-"
COC(OC)OC,4065.0,1.0,2.0,0.0,106.121,4.0,3.0,COC(OC)OC,3.609060549930087,Trimethoxymethane
COC1(C)CC(OC(C)C1O)OC1C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC(C)(O)C(OC2OC(C)CC(C2OC(=O)CC)N(C)C)C1C,7500.0,1.0,1.0,3.0,790.0010000000001,40.0,14.0,COC1(C)CC(OC(C)C1O)OC1C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC(C)(O)C(OC2OC(C)CC(C2OC(=O)CC)N(C)C)C1C,3.8750612633917,Erythromycin propionate
COC1(C)CC(OC2C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC(C)(O)C(OC3OC(C)CC(C3O)N(C)C)C2C)OC(C)C1O,6352.0,1.0,1.0,3.0,733.9370000000002,37.0,13.0,COC1(C)CC(OC2C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC(C)(O)C(OC3OC(C)CC(C3O)N(C)C)C2C)OC(C)C1O,3.8029104894190398,Erythromycin stearate
COC1(C)CCCCCCCCCCC1,7500.0,4.0,1.0,0.0,212.37699999999992,14.0,1.0,COC1(C)CCCCCCCCCCC1,3.8750612633917,"Cyclododecane, 1-methoxy-1-methyl-"
COC1(NC(=O)CC2=CC=CS2)C2SCC(COC(N)=O)=C(C(O)=O)N2C1=O,10000.0,4.0,1.0,0.0,427.4600000000002,16.0,7.0,COC1(NC(=O)CC2=CC=CS2)C2SCC(COC(N)=O)=C(C(O)=O)N2C1=O,4.0,Cefoxitin sodium salt
COC1(OC(F)(C(F)(F)C1(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F,3500.0,2.0,1.0,2.0,528.105,11.0,2.0,COC1(OC(F)(C(F)(F)C1(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F,3.5440680443502757,"Furan, 2,3,3,4,4-pentafluorotetrahydro-5-methoxy-2,5-bis[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-"
COC12CC(CN(C)C1CC1=CN(C)C3=CC=CC2=C13)COC(=O)C1C=NC=C(Br)C=1,1193.0,3.0,1.0,0.0,484.39400000000023,24.0,3.0,COC12CC(CN(C)C1CC1=CN(C)C3=CC=CC2=C13)COC(=O)C1C=NC=C(Br)C=1,3.076640443670342,Nicergoline
COC1=C(C(O)=O)C(Cl)=CC=C1Cl,2629.0,3.0,2.0,0.0,221.039,8.0,3.0,COC1=C(C(O)=O)C(Cl)=CC=C1Cl,3.419790586106363,Dicamba-dimethylammonium
COC1=C(CS(=O)C2NC3=CC=C(C=C3N=2)OC(F)F)N=CC=C1OC,747.0,4.0,1.0,0.0,383.3760000000001,16.0,4.0,COC1=C(CS(=O)C2NC3=CC=C(C=C3N=2)OC(F)F)N=CC=C1OC,2.873320601815399,Pantoprazole sodium
COC1=C(Cl)C(Cl)=C(C(Cl)=C1Cl)[N+]([O-])=O,260.0,3.0,2.0,0.0,290.91700000000003,7.0,3.0,COC1=C(Cl)C(Cl)=C(C(Cl)=C1Cl)[N+]([O-])=O,2.4149733479708178,"2,3,5,6-Tetrachloro-4-nitroanisole"
COC1=C(Cl)C=C2NC(=NC2=C1Cl)C(F)(F)F,8.033,4.0,2.0,0.0,285.05199999999996,9.0,1.0,COC1=C(Cl)C=C2NC(=NC2=C1Cl)C(F)(F)F,0.9048777669634046,"Benzimidazole, 4,6-dichloro-5-methoxy-2-(trifluoromethyl)-"
COC1=C(OC)C(CN2CCN(CC2)C(C2C=CC(F)=CC=2)C2C=CC(F)=CC=2)=CC=C1OC,307.0,4.0,0.0,0.0,468.54400000000027,27.0,3.0,COC1=C(OC)C(CN2CCN(CC2)C(C2C=CC(F)=CC=2)C2C=CC(F)=CC=2)=CC=C1OC,2.4871383754771865,Lomerizine
COC1=C2C(=O)OC(C3C4C(OC)=C5OCOC5=CC=4CCN3C)C2=CC=C1OC,1520.0,4.0,1.0,0.0,413.4260000000003,22.0,7.0,COC1=C2C(=O)OC(C3C4C(OC)=C5OCOC5=CC=4CCN3C)C2=CC=C1OC,3.1818435879447726,Noscapine
COC1=C2C=COC2=CC2OC(=O)C=CC=21,10001.0,4.0,2.0,0.0,216.19199999999995,12.0,4.0,COC1=C2C=COC2=CC2OC(=O)C=CC=21,4.000043427276863,5-Methoxypsoralen
COC1=C2C=COC2=CC2OC(COC3OC(CO)C(O)C(O)C3O)=CC(=O)C=21,1469.0,4.0,1.0,0.0,408.359,19.0,10.0,COC1=C2C=COC2=CC2OC(COC3OC(CO)C(O)C(O)C3O)=CC(=O)C=21,3.1670217957902564,Khellol Glucoside
COC1=CC(=C(C=C1)N=NC1C(O)=CC=C2C=CC=CC2=1)[N+]([O-])=O,3500.0,4.0,2.0,0.0,323.3080000000001,17.0,4.0,COC1=CC(=C(C=C1)N=NC1C(O)=CC=C2C=CC=CC2=1)[N+]([O-])=O,3.5440680443502757,"2-Naphthalenol, 1-[(4-methoxy-2-nitrophenyl)azo]-"
COC1=CC(=C(C=C1)SC#N)[N+]([O-])=O,3536.0,4.0,2.0,0.0,210.214,8.0,3.0,COC1=CC(=C(C=C1)SC#N)[N+]([O-])=O,3.5485122563410356,"Thiocyanic acid, 4-methoxy-2-nitrophenyl ester"
COC1=CC(=C(C=C1Cl)OC)[N+]([O-])=O,6251.0,4.0,2.0,0.0,217.608,8.0,4.0,COC1=CC(=C(C=C1Cl)OC)[N+]([O-])=O,3.7959494989028033,"4-Chloro-2,5-dimethoxynitrobenzene"
COC1=CC(=C(N)C=C1)S(O)(=O)=O,10000.0,4.0,2.0,0.0,203.219,7.0,4.0,COC1=CC(=C(N)C=C1)S(O)(=O)=O,4.0,"Benzenesulfonic acid, 2-amino-5-methoxy-, monosodium salt"
COC1=CC(=CC(OC)=C1O)C#N,6251.0,4.0,2.0,0.0,179.17499999999998,9.0,3.0,COC1=CC(=CC(OC)=C1O)C#N,3.7959494989028033,"Benzonitrile, 4-hydroxy-3,5-dimethoxy-"
COC1=CC(=CC=C1N)OC,464.0,3.0,2.0,0.0,153.181,8.0,2.0,COC1=CC(=CC=C1N)OC,2.6665179805548807,"2,4-Dimethoxyaniline hydrochloride"
COC1=CC(=CC=C1N)[N+]([O-])=O,1690.0,4.0,2.0,0.0,168.152,7.0,3.0,COC1=CC(=CC=C1N)[N+]([O-])=O,3.2278867046136734,2-Methoxy-4-nitroaniline
COC1=CC(=CC=C1N=NC1C2=CC=CC=C2C=CC=1O)C1C=C(OC)C(=CC=1)N=NC1=CC2=C(N)C(=CC(=C2C=C1)S(O)=O)S(O)(=O)=O,6700.0,0.0,0.0,4.0,697.7510000000002,34.0,8.0,COC1=CC(=CC=C1N=NC1C2=CC=CC=C2C=CC=1O)C1C=C(OC)C(=CC=1)N=NC1=CC2=C(N)C(=CC(=C2C=C1)S(O)=O)S(O)(=O)=O,3.8260748027008264,C.I. Direct Blue 22
COC1=CC(=CC=C1N=NC1C=CC(O)=CC=1)N=NC1C=CC(=CC=1)[N+]([O-])=O,2288.0,3.0,0.0,1.0,377.3600000000001,19.0,4.0,COC1=CC(=CC=C1N=NC1C=CC(O)=CC=1)N=NC1C=CC(=CC=1)[N+]([O-])=O,3.3594560201209864,"Phenol, 4-[[2-methoxy-4-[(4-nitrophenyl)azo]phenyl]azo]-"
COC1=CC(=CC=C1NC(=O)NC1=CC=C(C=C1OC)N=NC1=CC(=CC=C1)S(O)(=O)=O)N=NC1C=C(C=CC=1)S(O)(=O)=O,3500.0,1.0,0.0,4.0,640.6560000000003,27.0,9.0,COC1=CC(=CC=C1NC(=O)NC1=CC=C(C=C1OC)N=NC1=CC(=CC=C1)S(O)(=O)=O)N=NC1C=C(C=CC=1)S(O)(=O)=O,3.5440680443502757,"Benzenesulfonic acid, 3,3'-[carbonylbis[imino(3-methoxy-4,1-phenylene)azo]]bis-, disodium salt"
COC1=CC(=CC=C1O)C(O)=O,3500.0,4.0,2.0,0.0,168.148,8.0,4.0,COC1=CC(=CC=C1O)C(O)=O,3.5440680443502757,Vanillic acid
COC1=CC(=CC=N1)C(F)(F)F,1750.0,2.0,2.0,0.0,177.12500000000003,7.0,1.0,COC1=CC(=CC=N1)C(F)(F)F,3.2430380486862944,"Pyridine, 2-methoxy-4-(trifluoromethyl)-"
COC1=CC(=NC(/N=C(O)/NS(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)=N1)OC,7500.0,4.0,2.0,0.0,412.81500000000005,14.0,5.0,COC1=CC(=NC(/N=C(O)/NS(=O)(=O)C2=C(Cl)N=C3C=CC=CN32)=N1)OC,3.8750612633917,Imazosulfuron
COC1=CC(=NC(NC(=O)NS(=O)(=O)C2=NC=CC=C2C(=O)N(C)C)=N1)OC,7500.0,4.0,1.0,0.0,410.41200000000015,15.0,6.0,COC1=CC(=NC(NC(=O)NS(=O)(=O)C2=NC=CC=C2C(=O)N(C)C)=N1)OC,3.8750612633917,Nicosulfuron
COC1=CC(=NC(NC(=O)NS(=O)(=O)C2=NC=CC=C2C(F)(F)F)=N1)OC,7500.0,4.0,2.0,0.0,407.33,13.0,5.0,COC1=CC(=NC(NC(=O)NS(=O)(=O)C2=NC=CC=C2C(F)(F)F)=N1)OC,3.8750612633917,Flazasulfuron
COC1=CC(=NC(NC(=O)NS(=O)(=O)C2=NC=CC=C2OCC(F)(F)F)=N1)OC,6251.0,4.0,1.0,0.0,437.3560000000001,14.0,6.0,COC1=CC(=NC(NC(=O)NS(=O)(=O)C2=NC=CC=C2OCC(F)(F)F)=N1)OC,3.7959494989028033,Trifloxysulfuron-sodium
COC1=CC(=NC(NC(=O)NS(=O)(=O)CC2C=CC=CC=2C(=O)OC)=N1)OC,7500.0,4.0,1.0,0.0,410.4080000000002,16.0,7.0,COC1=CC(=NC(NC(=O)NS(=O)(=O)CC2C=CC=CC=2C(=O)OC)=N1)OC,3.8750612633917,Bensulfuron-methyl
COC1=CC(=NC(NC(=O)NS(=O)(=O)NC2C=CC=CC=2C(=O)N(C)C)=N1)OC,6251.0,4.0,1.0,0.0,424.43900000000014,16.0,6.0,COC1=CC(=NC(NC(=O)NS(=O)(=O)NC2C=CC=CC=2C(=O)N(C)C)=N1)OC,3.7959494989028033,Orthosulfamuron
COC1=CC(=NC(NC(=O)OC2C=CC=CC=2)=N1)OC,6251.0,4.0,3.0,0.0,275.264,13.0,4.0,COC1=CC(=NC(NC(=O)OC2C=CC=CC=2)=N1)OC,3.7959494989028033,"Carbamic acid, N-(4,6-dimethoxy-2-pyrimidinyl)-, phenyl ester"
COC1=CC(=O)CC(C)C21OC1C(Cl)=C(C=C(OC)C=1C2=O)OC,10000.0,4.0,2.0,0.0,352.7700000000001,17.0,6.0,COC1=CC(=O)CC(C)C21OC1C(Cl)=C(C=C(OC)C=1C2=O)OC,4.0,Griseofulvin
COC1=CC(C)=NN1C1=NC(=CC(C)=N1)OC,445.0,4.0,2.0,0.0,234.259,11.0,2.0,COC1=CC(C)=NN1C1=NC(=CC(C)=N1)OC,2.6483600109809315,Epirizole
COC1=CC(C2CC(CC(C2OP2OC3CCCCC3C3CCCCC3O2)C(C)(C)C)OC)=C(OP2OC3CCCCC3C3CCCCC3O2)C(=C1)C(C)(C)C,3500.0,0.0,0.0,2.0,817.0379999999998,46.0,8.0,COC1=CC(C2CC(CC(C2OP2OC3CCCCC3C3CCCCC3O2)C(C)(C)C)OC)=C(OP2OC3CCCCC3C3CCCCC3O2)C(=C1)C(C)(C)C,3.5440680443502757,"6-(2-tert-Butyl-6-{3-tert-butyl-2-[(dodecahydro-6H-dibenzo[d,f][1,3,2]dioxaphosphepin-6-yl)oxy]-5-methoxycyclohexyl}-4-methoxyphenoxy)dodecahydro-6H-dibenzo[d,f][1,3,2]dioxaphosphepine"
COC1=CC(C2NC3C=CC(=CC=3C(=O)N=2)C(O)=O)=C(C=C1)OCC,800.0,4.0,3.0,0.0,340.335,18.0,5.0,COC1=CC(C2NC3C=CC(=CC=3C(=O)N=2)C(O)=O)=C(C=C1)OCC,2.9030899869919438,"6-Quinazolinecarboxylic acid, 1,4-dihydro-2-(2-ethoxy-5-methoxyphenyl)-4-oxo-"
COC1=CC(C=CC(=O)CC(=O)C=CC2C=C(OC)C(O)=CC=2)=CC=C1O,3126.0,4.0,1.0,0.0,368.3850000000001,21.0,6.0,COC1=CC(C=CC(=O)CC(=O)C=CC2C=C(OC)C(O)=CC=2)=CC=C1O,3.494988973683168,Curcumin
COC1=CC(C=CC(=O)NC2C=CC=CC=2C(O)=O)=CC=C1OC,1100.0,4.0,2.0,0.0,327.33600000000007,18.0,5.0,COC1=CC(C=CC(=O)NC2C=CC=CC=2C(O)=O)=CC=C1OC,3.041392685158225,Tranilast
COC1=CC(C=CC)=CC=C1OCC1C=CC=CC=1,4900.0,4.0,2.0,0.0,254.329,17.0,2.0,COC1=CC(C=CC)=CC=C1OCC1C=CC=CC=1,3.690196080028514,1-Benzyloxy-2-methoxy-4-(1-propenyl)benzene
COC1=CC(CC(C)N)=CC2OCOC=21,170.0,4.0,2.0,0.0,209.245,11.0,3.0,COC1=CC(CC(C)N)=CC2OCOC=21,2.230448921378274,"1-(7-Methoxy-1,3-benzodioxol-5-yl)propan-2-amine hydrochloride"
COC1=CC(CC2=CN=C(N)N=C2N)=CC(OC)=C1Br,2514.0,4.0,2.0,0.0,339.193,13.0,2.0,COC1=CC(CC2=CN=C(N)N=C2N)=CC(OC)=C1Br,3.400365273349939,Brodimoprim
COC1=CC(COCCCC)=CC=C1O,3500.0,4.0,1.0,0.0,210.27299999999997,12.0,3.0,COC1=CC(COCCCC)=CC=C1O,3.5440680443502757,"Phenol, 4-(butoxymethyl)-2-methoxy-"
COC1=CC(Cl)=NC(NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OCC)=N1,4202.0,4.0,1.0,0.0,414.82700000000017,15.0,6.0,COC1=CC(Cl)=NC(NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OCC)=N1,3.623456048069934,Chlorimuron-ethyl
COC1=CC(N)=C(Br)C=C1C(=O)NCCN(CC)CC,545.0,4.0,2.0,0.0,344.2530000000001,14.0,2.0,COC1=CC(N)=C(Br)C=C1C(=O)NCCN(CC)CC,2.7363965022766426,Bromopride
COC1=CC(N)=C(C=C1Cl)OC,1260.0,4.0,2.0,0.0,187.626,8.0,2.0,COC1=CC(N)=C(C=C1Cl)OC,3.100370545117563,"2,5-Dimethoxy-4-chloroaniline"
COC1=CC(N)=C(C=C1S(=O)(=O)NC1C=CC=CC=1)OC,1445.0,4.0,2.0,0.0,308.3590000000001,14.0,4.0,COC1=CC(N)=C(C=C1S(=O)(=O)NC1C=CC=CC=1)OC,3.1598678470925665,"4-Amino-2,5-dimethoxy-N-phenylbenzenesulfonamide"
COC1=CC(N)=C(Cl)C=C1C(=O)NC1CCN(CC1OC)CCCOC1C=CC(F)=CC=1,4166.0,4.0,1.0,0.0,465.9530000000003,23.0,4.0,COC1=CC(N)=C(Cl)C=C1C(=O)NC1CCN(CC1OC)CCCOC1C=CC(F)=CC=1,3.619719265611727,Cisapride
COC1=CC(N)=C(Cl)C=C1C(=O)NCCN(CC)CC,698.5,4.0,2.0,0.0,299.8020000000001,14.0,2.0,COC1=CC(N)=C(Cl)C=C1C(=O)NCCN(CC)CC,2.844166410450201,Metoclopramide
COC1=CC(N)=CC=C1N,70.0,3.0,2.0,0.0,138.17,7.0,1.0,COC1=CC(N)=CC=C1N,1.845098040014257,"1,4-Benzenediamine, 2-methoxy-, sulfate (1:1)"
COC1=CC(N=NC2=C(Br)C=C(C=C2[N+]([O-])=O)[N+]([O-])=O)=C(C=C1N(CCOC(C)=O)CCOC(C)=O)NC(C)=O,7500.0,2.0,0.0,3.0,625.3890000000002,23.0,10.0,COC1=CC(N=NC2=C(Br)C=C(C=C2[N+]([O-])=O)[N+]([O-])=O)=C(C=C1N(CCOC(C)=O)CCOC(C)=O)NC(C)=O,3.8750612633917,C.I. Disperse Blue 79:1
COC1=CC(N=NC2C(Cl)=CC(=CC=2[N+]([O-])=O)[N+]([O-])=O)=C(C=C1N(CCOC(C)=O)CCOC(C)=O)NC(C)=O,7500.0,2.0,0.0,3.0,580.9380000000003,23.0,10.0,COC1=CC(N=NC2C(Cl)=CC(=CC=2[N+]([O-])=O)[N+]([O-])=O)=C(C=C1N(CCOC(C)=O)CCOC(C)=O)NC(C)=O,3.8750612633917,C.I. Disperse Blue 79 (Cl/methoxy)
COC1=CC(NC(=O)C2C=C3C=CC=CC3=C(N=NC3C=C(C=CC=3OC)C(=O)NC3C=CC=CC=3)C=2O)=C(C=C1Cl)OC,10000.0,0.0,0.0,2.0,611.0540000000002,33.0,6.0,COC1=CC(NC(=O)C2C=C3C=CC=CC3=C(N=NC3C=C(C=CC=3OC)C(=O)NC3C=CC=CC=3)C=2O)=C(C=C1Cl)OC,4.0,"2-Naphthalenecarboxamide, N-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]-"
COC1=CC(NC(=O)C2C=C3C=CC=CC3=CC=2O)=C(C=C1Cl)OC,10001.0,4.0,1.0,0.0,357.7930000000001,19.0,4.0,COC1=CC(NC(=O)C2C=C3C=CC=CC3=CC=2O)=C(C=C1Cl)OC,4.000043427276863,"2-Naphthalenecarboxamide, N-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxy-"
COC1=CC(NS(=O)(=O)C2C=CC=CC=2)=C2C(=C1N)C(=O)C1C=CC=CC=1C2=O,4501.0,4.0,2.0,0.0,408.43500000000023,21.0,5.0,COC1=CC(NS(=O)(=O)C2C=CC=CC=2)=C2C(=C1N)C(=O)C1C=CC=CC=1C2=O,3.653309012938479,"Benzenesulfonamide, N-(4-amino-9,10-dihydro-3-methoxy-9,10-dioxo-1-anthracenyl)-"
COC1=CC(O)=C2C(=O)OC(CO)=CC2=C1,1000.0,4.0,2.0,0.0,222.19599999999997,11.0,5.0,COC1=CC(O)=C2C(=O)OC(CO)=CC2=C1,3.0,Cytogenin
COC1=CC(OC)=C(C=C1Cl)NC(=O)C1C=C2C=CC=CC2=CC=1O,6251.0,4.0,1.0,0.0,357.793,19.0,4.0,COC1=CC(OC)=C(C=C1Cl)NC(=O)C1C=C2C=CC=CC2=CC=1O,3.7959494989028033,"2-Naphthalenecarboxamide, N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-, monosodium salt"
COC1=CC2=C(C=C1OC)C13CCN4CC5=CCOC6CC(=O)N2C1C6C5CC34,1.0,4.0,2.0,0.0,394.4710000000001,23.0,4.0,COC1=CC2=C(C=C1OC)C13CCN4CC5=CCOC6CC(=O)N2C1C6C5CC34,0.0,"Strychnidin-10-one, 2,3-dimethoxy-, hydrochloride (1:1)"
COC1=CC2=C(NC(C)CCCN(CC)CC)C3=CC=C(Cl)C=C3N=C2C=C1,660.0,3.0,0.0,1.0,399.9660000000002,23.0,1.0,COC1=CC2=C(NC(C)CCCN(CC)CC)C3=CC=C(Cl)C=C3N=C2C=C1,2.8195439355418688,Atabrine
COC1=CC2=CC=C(C=C2C=C1)C(C)C(O)=O,356.0,4.0,2.0,0.0,230.263,14.0,3.0,COC1=CC2=CC=C(C=C2C=C1)C(C)C(O)=O,2.5514499979728753,Naproxen
COC1=CC2=CC=CC=C2NC2=CC=CC=C12,7500.0,4.0,1.0,0.0,223.275,15.0,1.0,COC1=CC2=CC=CC=C2NC2=CC=CC=C12,3.8750612633917,10-Methoxyiminostilbene
COC1=CC2C(=N)C3CCCCC3=NC=2C=C1,753.0,4.0,2.0,0.0,228.29499999999993,14.0,1.0,COC1=CC2C(=N)C3CCCCC3=NC=2C=C1,2.8767949762007006,
COC1=CC2C(CC(=O)OC3C=CC(=CC=3)NC(C)=O)=C(C)N(C=2C=C1)C(=O)C1C=CC(Cl)=CC=1,887.0,2.0,0.0,1.0,490.9430000000002,27.0,5.0,COC1=CC2C(CC(=O)OC3C=CC(=CC=3)NC(C)=O)=C(C)N(C=2C=C1)C(=O)C1C=CC(Cl)=CC=1,2.9479236198317262,Apyramide
COC1=CC2C=CC(=CC=2C=C1)C(C)C(=O)OCCN1CCN(CC2C=CC=CC=2)CC1,1100.0,4.0,0.0,0.0,432.56400000000014,27.0,3.0,COC1=CC2C=CC(=CC=2C=C1)C(C)C(=O)OCCN1CCN(CC2C=CC=CC=2)CC1,3.041392685158225,"2-Naphthaleneacetic acid, 6-methoxy-alpha-methyl-, 2-(4-benzyl-1-piperazinyl)ethyl ester, (S)-"
COC1=CC2C=CC=CC=2C=C1,4501.0,3.0,2.0,0.0,158.2,11.0,1.0,COC1=CC2C=CC=CC=2C=C1,3.653309012938479,2-Methoxynaphthalene
COC1=CC2CCC(=C(C3=CC=C(C=C3)OCCN3CCCC3)C=2C=C1)C1C=CC=CC=1,302.0,2.0,0.0,1.0,425.5720000000003,29.0,2.0,COC1=CC2CCC(=C(C3=CC=C(C=C3)OCCN3CCCC3)C=2C=C1)C1C=CC=CC=1,2.4800069429571505,Nafoxidine hydrochloride
COC1=CC2CCC(=C(C=2C=C1)C1C=CC(=CC=1)OCCN(CC)CC)C1C=CC=CC=1,547.0,2.0,0.0,1.0,427.58800000000025,29.0,2.0,COC1=CC2CCC(=C(C=2C=C1)C1C=CC(=CC=1)OCCN(CC)CC)C1C=CC=CC=1,2.737987326333431,U-10520A
COC1=CC2CCC3C4CCC(=O)C4(C)CCC3C=2C=C1,3500.0,4.0,2.0,0.0,284.399,19.0,2.0,COC1=CC2CCC3C4CCC(=O)C4(C)CCC3C=2C=C1,3.5440680443502757,Estrone 3-methyl ether
COC1=CC2CCCC(=CCC3(C)C(=O)CCC3=O)C=2C=C1,3500.0,4.0,2.0,0.0,298.382,19.0,3.0,COC1=CC2CCCC(=CCC3(C)C(=O)CCC3=O)C=2C=C1,3.5440680443502757,"2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-2-methylcyclopentane-1,3-dione"
COC1=CC2CCCC(=O)C=2C=C1,619.0,4.0,2.0,0.0,176.21499999999995,11.0,2.0,COC1=CC2CCCC(=O)C=2C=C1,2.791690649020118,6-Methoxy-?1-?tetralone
COC1=CC2CCN(C)C(CCC3C=CC(Cl)=CC=3)C=2C=C1OC,400.0,4.0,1.0,0.0,345.8700000000001,20.0,2.0,COC1=CC2CCN(C)C(CCC3C=CC(Cl)=CC=3)C=2C=C1OC,2.6020599913279625,
COC1=CC2N=C(N=C(N)C=2C=C1OC)N1CCN(CC1)C(=O)C1COC2C=CC=CC=2O1,7500.0,4.0,2.0,0.0,451.4830000000003,23.0,5.0,COC1=CC2N=C(N=C(N)C=2C=C1OC)N1CCN(CC1)C(=O)C1COC2C=CC=CC=2O1,3.8750612633917,Doxazosin mesylate
COC1=CC2NC(=S)NC=2C=C1,875.0,4.0,2.0,0.0,180.232,8.0,1.0,COC1=CC2NC(=S)NC=2C=C1,2.942008053022313,5-Methoxy-2-mercaptobenzimidazole
COC1=CC2NC3=CC=CC=C3SC=2C=C1,3500.0,4.0,1.0,0.0,229.304,13.0,1.0,COC1=CC2NC3=CC=CC=C3SC=2C=C1,3.5440680443502757,Methyl phenothiazin-2-yl ether
COC1=CC2NC3C4CC5C(C(OC)C(O)CC5CN4CCC=3C=2C=C1)C(=O)OC,479.0,4.0,2.0,0.0,414.50200000000024,23.0,5.0,COC1=CC2NC3C4CC5C(C(OC)C(O)CC5CN4CCC=3C=2C=C1)C(=O)OC,2.680335513414563,
COC1=CC2OC(=O)C(=C(C=2C=C1)C1C=CC(=CC=1)OCC(O)CNCCCC)C1C=CC=CC=1,500.0,3.0,0.0,1.0,473.5690000000002,29.0,5.0,COC1=CC2OC(=O)C(=C(C=2C=C1)C1C=CC(=CC=1)OCC(O)CNCCCC)C1C=CC=CC=1,2.6989700043360187,
COC1=CC2OC(C)(C)C(C(C=2C=C1)C1C=CC(=CC=1)OCCN1CCCC1)C1C=CC=CC=1,2150.0,2.0,0.0,1.0,457.6140000000004,30.0,3.0,COC1=CC2OC(C)(C)C(C(C=2C=C1)C1C=CC(=CC=1)OCCN1CCCC1)C1C=CC=CC=1,3.3324384599156054,"Pyrrolidine, 1-(2-(4-(3,4-dihydro-7-methoxy-2,2-dimethyl-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)ethyl)-, hydrochloride, trans-(+-)-"
COC1=CC2OC3OC=CC3C=2C2OC(=O)C3=C(CCC3=O)C1=2,4.8,4.0,3.0,0.0,312.277,17.0,6.0,COC1=CC2OC3OC=CC3C=2C2OC(=O)C3=C(CCC3=O)C1=2,0.6812412373755872,Aflatoxin B1
COC1=CC=C(C2C=CC=CC=21)C(=O)CCC(O)=O,1800.0,4.0,3.0,0.0,258.273,15.0,4.0,COC1=CC=C(C2C=CC=CC=21)C(=O)CCC(O)=O,3.255272505103306,Menbutone
COC1=CC=C(C=C1)C(=O)OCC,2040.0,4.0,2.0,0.0,180.20299999999995,10.0,3.0,COC1=CC=C(C=C1)C(=O)OCC,3.3096301674258988,"Benzoic acid, 4-methoxy-, ethyl ester"
COC1=CC=C(C=C1)C(OCC1OC(CC1O)N1C=CC(NC(=O)C2=CC=CC=C2)=NC1=O)(C1=CC=CC=C1)C1=CC=C(C=C1)OC,3500.0,1.0,0.0,2.0,633.7010000000002,37.0,7.0,COC1=CC=C(C=C1)C(OCC1OC(CC1O)N1C=CC(NC(=O)C2=CC=CC=C2)=NC1=O)(C1=CC=CC=C1)C1=CC=C(C=C1)OC,3.5440680443502757,"Cytidine, N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-"
COC1=CC=C(C=C1)C1=COC2C=C(O)C=CC=2C1=O,7500.0,4.0,3.0,0.0,268.268,16.0,4.0,COC1=CC=C(C=C1)C1=COC2C=C(O)C=CC=2C1=O,3.8750612633917,Formononetin
COC1=CC=C(C=C1)C1SC2=CC=CC=C2NC(=O)C1O,2751.0,4.0,3.0,0.0,301.367,16.0,3.0,COC1=CC=C(C=C1)C1SC2=CC=CC=C2NC(=O)C1O,3.4394905903896835,"(2S,3s)-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5h)-one"
COC1=CC=C(C=C1)OC(=O)C1=CC=CC=C1OC(N)=O,2500.0,4.0,3.0,0.0,287.271,15.0,5.0,COC1=CC=C(C=C1)OC(=O)C1=CC=CC=C1OC(N)=O,3.3979400086720375,"Benzoic acid, 2-((aminocarbonyl)oxy)-, 4-methoxyphenyl ester"
COC1=CC=C(C=C1)OC(=O)CCC,3400.0,4.0,2.0,0.0,194.22999999999996,11.0,3.0,COC1=CC=C(C=C1)OC(=O)CCC,3.531478917042255,"Butyric acid, p-methoxyphenyl ester"
COC1=CC=C(C=C1C(=O)NCCN(CC)CC)S(C)(=O)=O,4840.0,4.0,2.0,0.0,328.4340000000001,15.0,4.0,COC1=CC=C(C=C1C(=O)NCCN(CC)CC)S(C)(=O)=O,3.6848453616444123,Tiapride hydrochloride
COC1=CC=C(C=C1C(O)CNC(=O)CN)OC,54.4,4.0,2.0,0.0,254.28599999999997,12.0,4.0,COC1=CC=C(C=C1C(O)CNC(=O)CN)OC,1.73559889969818,Midodrine hydrochloride
COC1=CC=C(C=C1C=O)OC,3200.0,4.0,2.0,0.0,166.176,9.0,3.0,COC1=CC=C(C=C1C=O)OC,3.505149978319906,"2,5-Dimethoxybenzaldehyde"
COC1=CC=C(C=C1CC(C)N)OC,171.0,4.0,1.0,0.0,195.26199999999997,11.0,2.0,COC1=CC=C(C=C1CC(C)N)OC,2.2329961103921536,"(+/-) -1-(2,5-Dimethoxyphenyl)-2-aminopropane"
COC1=CC=C(C=C1Cl)OC,1659.0,4.0,2.0,0.0,172.611,8.0,2.0,COC1=CC=C(C=C1Cl)OC,3.219846386024361,"2-Chloro-1,4-dimethoxybenzene"
COC1=CC=C(C=C1N=NC1=C(O)C(=CC2=CC=CC=C21)C(=O)NC1=CC(=CC=C1)[N+]([O-])=O)[N+]([O-])=O,10000.0,1.0,0.0,1.0,487.42800000000017,24.0,7.0,COC1=CC=C(C=C1N=NC1=C(O)C(=CC2=CC=CC=C21)C(=O)NC1=CC(=CC=C1)[N+]([O-])=O)[N+]([O-])=O,4.0,C.I. Pigment Red 23
COC1=CC=C(C=C1OC)C(=O)NCC1C=CC(=CC=1)OCCN(C)C,3500.0,4.0,1.0,0.0,358.4380000000001,20.0,4.0,COC1=CC=C(C=C1OC)C(=O)NCC1C=CC(=CC=1)OCCN(C)C,3.5440680443502757,Itopride hydrochloride
COC1=CC=C(C=C1[N+]([O-])=O)C(=O)NC1C=CC=CC=1,3500.0,4.0,3.0,0.0,272.26000000000005,14.0,4.0,COC1=CC=C(C=C1[N+]([O-])=O)C(=O)NC1C=CC=CC=1,3.5440680443502757,4-Methoxy-3-nitro-N-phenylbenzamide
COC1=CC=C(C=C1[N+]([O-])=O)C(O)=O,7500.0,4.0,2.0,0.0,197.146,8.0,5.0,COC1=CC=C(C=C1[N+]([O-])=O)C(O)=O,3.8750612633917,"Benzoic acid, 4-methoxy-3-nitro-"
COC1=CC=C(C=CC(=O)OCCC(C)C)C=C1,9749.0,4.0,1.0,0.0,248.32199999999995,15.0,3.0,COC1=CC=C(C=CC(=O)OCCC(C)C)C=C1,3.988960070390338,Amiloxate
COC1=CC=C(C=O)C=C1O,5500.0,2.0,2.0,0.0,152.14899999999997,8.0,3.0,COC1=CC=C(C=O)C=C1O,3.7403626894942437,"Benzaldehyde,3-hydroxy-4-methoxy-"
COC1=CC=C(C=O)C=C1OC,3500.0,4.0,2.0,0.0,166.17599999999996,9.0,3.0,COC1=CC=C(C=O)C=C1OC,3.5440680443502757,Veratraldehyde
COC1=CC=C(CC2=CN=C(N)N=C2N)C=C1OC,3679.0,4.0,2.0,0.0,260.29699999999997,13.0,2.0,COC1=CC=C(CC2=CN=C(N)N=C2N)C=C1OC,3.565729787831127,Diaveridine
COC1=CC=C(CC2=NC=CC3=CC(OC)=C(C=C32)OC)C=C1OC,342.5,4.0,1.0,0.0,339.3910000000001,20.0,4.0,COC1=CC=C(CC2=NC=CC3=CC(OC)=C(C=C32)OC)C=C1OC,2.534660575828444,Papaverine
COC1=CC=C(CC2CC2)C=C1,3500.0,4.0,2.0,0.0,162.232,11.0,1.0,COC1=CC=C(CC2CC2)C=C1,3.5440680443502757,1-(Cyclopropylmethyl)-4-methoxybenzene
COC1=CC=C(CC=C)C=C1OC,994.5,4.0,2.0,0.0,178.23099999999997,11.0,2.0,COC1=CC=C(CC=C)C=C1OC,2.9976047874604546,Methyleugenol
COC1=CC=C(CCN2CCC(CC2)NC2=NC3=CC=CC=C3N2CC2C=CC(F)=CC=2)C=C1,2560.0,3.0,0.0,1.0,458.58100000000024,28.0,1.0,COC1=CC=C(CCN2CCC(CC2)NC2=NC3=CC=CC=C3N2CC2C=CC(F)=CC=2)C=C1,3.4082399653118496,Astemizole
COC1=CC=C(CCNCC(O)C2=CC=C(O)C=C2)C=C1OC,9369.0,4.0,2.0,0.0,317.3850000000001,18.0,4.0,COC1=CC=C(CCNCC(O)C2=CC=C(O)C=C2)C=C1OC,3.971693238949861,Denopamine
COC1=CC=C(COC(=O)CC)C=C1,3330.0,4.0,2.0,0.0,194.23,11.0,3.0,COC1=CC=C(COC(=O)CC)C=C1,3.5224442335063197,Anisyl propionate
COC1=CC=C(Cl)C=C1C(=O)NCCC1C=CC(=CC=1)S(N)(=O)=O,7500.0,4.0,1.0,0.0,368.8420000000001,16.0,4.0,COC1=CC=C(Cl)C=C1C(=O)NCCC1C=CC(=CC=1)S(N)(=O)=O,3.8750612633917,N-(2-(4-sulfamoyl)phenyl)ethyl-5-chloro-2-methoxybenzamide
COC1=CC=C(N)C=C1N,1913.0,3.0,2.0,0.0,138.17,7.0,1.0,COC1=CC=C(N)C=C1N,3.281714970027296,"2,4-Diaminoanisole"
COC1=CC=C(NS(=O)(=O)C2C=CC(N)=CC=2)N=N1,2739.0,4.0,3.0,0.0,280.30899999999997,11.0,3.0,COC1=CC=C(NS(=O)(=O)C2C=CC(N)=CC=2)N=N1,3.4375920322539613,Sulfamethoxypyridazine
COC1=CC=C2C=CC(=O)OC2=C1,4300.0,4.0,2.0,0.0,176.17099999999996,10.0,3.0,COC1=CC=C2C=CC(=O)OC2=C1,3.6334684555795866,"2H-1-Benzopyran-2-one, 7-methoxy-"
COC1=CC=C2CC3C4CCC(=O)C5OC1=C2C45CCN3C,375.0,4.0,3.0,0.0,299.37000000000006,18.0,3.0,COC1=CC=C2CC3C4CCC(=O)C5OC1=C2C45CCN3C,2.574031267727719,Hydrocodone
COC1=CC=C2N=CC=C(C(O)C3CC4CCN3CC4C=C)C2=C1,538.0,4.0,3.0,0.0,324.4240000000001,20.0,2.0,COC1=CC=C2N=CC=C(C(O)C3CC4CCN3CC4C=C)C2=C1,2.7307822756663893,Quinine hydrochloride
COC1=CC=CC(/C(/O)=NC2CC3CCC(C2)N3CC2C=CC=CC=2)=C1OC,147.0,4.0,0.0,0.0,380.4880000000001,23.0,3.0,COC1=CC=CC(/C(/O)=NC2CC3CCC(C2)N3CC2C=CC=CC=2)=C1OC,2.167317334748176,
COC1=CC=CC(=N1)N(C)C(=S)OC1=CC2CCCCC=2C=C1,3500.0,4.0,2.0,0.0,328.4370000000002,18.0,2.0,COC1=CC=CC(=N1)N(C)C(=S)OC1=CC2CCCCC=2C=C1,3.5440680443502757,Liranaftate
COC1=CC=CC(=N1)N(C)C(=S)OC1C=C(C=CC=1)C(C)(C)C,7500.0,4.0,2.0,0.0,330.4530000000001,18.0,2.0,COC1=CC=CC(=N1)N(C)C(=S)OC1C=C(C=CC=1)C(C)(C)C,3.8750612633917,Pyributicarb
COC1=CC=CC(C(=O)NN(C(=O)C2C=C(C)C=C(C)C=2)C(C)(C)C)=C1C,7500.0,4.0,1.0,0.0,368.47700000000015,22.0,3.0,COC1=CC=CC(C(=O)NN(C(=O)C2C=C(C)C=C(C)C=2)C(C)(C)C)=C1C,3.8750612633917,Methoxyfenozide
COC1=CC=CC(OC)=C1C(O)=O,500.0,4.0,2.0,0.0,182.175,9.0,4.0,COC1=CC=CC(OC)=C1C(O)=O,2.6989700043360187,"2,6-Dimethoxybenzoic acid"
COC1=CC=CC(OC)=C1O,550.0,3.0,2.0,0.0,154.165,8.0,3.0,COC1=CC=CC(OC)=C1O,2.7403626894942437,"2,6-Dimethoxyphenol"
COC1=CC=CC2CC(=O)CCC=21,3500.0,4.0,2.0,0.0,176.21499999999995,11.0,2.0,COC1=CC=CC2CC(=O)CCC=21,3.5440680443502757,5-Methoxy-2-tetralone
COC1=CC=CC=C1C(=O)NS(=O)(=O)C1C=CC(=CC=1)C(=O)NC1CC1,6251.0,4.0,2.0,0.0,374.4180000000001,18.0,5.0,COC1=CC=CC=C1C(=O)NS(=O)(=O)C1C=CC(=CC=1)C(=O)NC1CC1,3.7959494989028033,Cyprosulfamide
COC1=CC=CC=C1C1C(Cl)C(=O)N1/N=C(O)/C1=CC=CC=C1O,3500.0,4.0,3.0,0.0,346.77000000000004,17.0,4.0,COC1=CC=CC=C1C1C(Cl)C(=O)N1/N=C(O)/C1=CC=CC=C1O,3.5440680443502757,
COC1=CC=CC=C1C1C(Cl)C(=O)N1C1=CC=CC=C1C(O)=O,2400.0,4.0,3.0,0.0,331.75500000000005,17.0,4.0,COC1=CC=CC=C1C1C(Cl)C(=O)N1C1=CC=CC=C1C(O)=O,3.380211241711606,
COC1=CC=CC=C1C1C=CC=CC=1,3600.0,4.0,2.0,0.0,184.238,13.0,1.0,COC1=CC=CC=C1C1C=CC=CC=1,3.5563025007672873,Biphenyl-2-yl methyl ether
COC1=CC=CC=C1C1N=C(O)CCS1,8000.0,4.0,2.0,0.0,223.2969999999999,11.0,2.0,COC1=CC=CC=C1C1N=C(O)CCS1,3.9030899869919438,
COC1=CC=CC=C1CN=NC(N)=S,8000.0,4.0,2.0,0.0,209.27399999999997,9.0,1.0,COC1=CC=CC=C1CN=NC(N)=S,3.9030899869919438,
COC1=CC=CC=C1N,1834.0,1.0,2.0,0.0,123.155,7.0,1.0,COC1=CC=CC=C1N,3.263399331334002,2-Anisidine
COC1=CC=CC=C1N1CCN(CC1)/C(/NC1=CC(Cl)=C(Cl)C=C1)=NCC(C)C,500.0,4.0,0.0,1.0,435.3990000000001,22.0,1.0,COC1=CC=CC=C1N1CCN(CC1)/C(/NC1=CC(Cl)=C(Cl)C=C1)=NCC(C)C,2.6989700043360187,"1-Piperazinecarboximidamide, N-(3,4-dichlorophenyl)-4-(2-methoxyphenyl)-N'-(2-methylpropyl)-,monohydrochloride"
COC1=CC=CC=C1N1CCN(CCCN=C2CC(=O)N(C)C(=O)N2C)CC1,520.0,4.0,1.0,0.0,387.48400000000015,20.0,3.0,COC1=CC=CC=C1N1CCN(CCCN=C2CC(=O)N(C)C(=O)N2C)CC1,2.716003343634799,Urapidil
COC1=CC=CC=C1NC(=O)C1=CC2C=CC=CC=2C=C1O,6251.0,4.0,2.0,0.0,293.322,18.0,3.0,COC1=CC=CC=C1NC(=O)C1=CC2C=CC=CC=2C=C1O,3.7959494989028033,3-Hydroxy-2-naphthoic o-anisidide
COC1=CC=CC=C1OC,1125.0,2.0,2.0,0.0,138.16599999999997,8.0,2.0,COC1=CC=CC=C1OC,3.0511525224473814,"1,2-Dimethoxybenzene"
COC1=CC=CC=C1OC(=O)C(CCC)CCC,3500.0,4.0,1.0,0.0,250.338,15.0,3.0,COC1=CC=CC=C1OC(=O)C(CCC)CCC,3.5440680443502757,"Valeric acid, 2-propyl-, o-methoxyphenyl ester"
COC1=CC=CC=C1OC(=O)C1=CC=CC=C1NC1=CC=CC(C)=C1C,3500.0,4.0,1.0,1.0,347.4140000000001,22.0,3.0,COC1=CC=CC=C1OC(=O)C1=CC=CC=C1NC1=CC=CC(C)=C1C,3.5440680443502757,"Anthranilic acid, N-2,3-xylyl-, o-methoxyphenyl ester"
COC1=CC=CC=C1OCC(O)CO,1510.0,4.0,1.0,0.0,198.21799999999996,10.0,4.0,COC1=CC=CC=C1OCC(O)CO,3.1789769472931693,Guaifenesin
COC1=CC=CC=C1OCC(O)COC(N)=O,1320.0,4.0,1.0,0.0,241.2429999999999,11.0,5.0,COC1=CC=CC=C1OCC(O)COC(N)=O,3.12057393120585,Methocarbamol
COC1=CC=CC=C1OCC1CNC(=O)O1,3820.0,4.0,2.0,0.0,223.22799999999995,11.0,4.0,COC1=CC=CC=C1OCC1CNC(=O)O1,3.582063362911709,Mephenoxalone
COC1=CC=CC=C1OCCNCC1C=CC=CC=1,886.0,4.0,2.0,0.0,257.33299999999997,16.0,2.0,COC1=CC=CC=C1OCCNCC1C=CC=CC=1,2.9474337218870508,N-Benzyl-2-(2-methoxyphenoxy)ethylamine
COC1=CN=C(NS(=O)(=O)C2C=CC(N)=CC=2)N=C1,6000.0,4.0,3.0,0.0,280.30899999999997,11.0,3.0,COC1=CN=C(NS(=O)(=O)C2C=CC(N)=CC=2)N=C1,3.7781512503836434,Sulfameter
COC1=COC(CSP(=O)(OC)OC)=CC1=O,23.0,4.0,2.0,0.0,280.238,9.0,6.0,COC1=COC(CSP(=O)(OC)OC)=CC1=O,1.3617278360175928,Endothion
COC1=NC(=NC(NC(C)C)=N1)N(CC)CC,885.0,4.0,1.0,0.0,239.323,11.0,1.0,COC1=NC(=NC(NC(C)C)=N1)N(CC)CC,2.9469432706978256,2-(Diethylamino)-4-(isopropylamino)-6-methoxy-s-triazine
COC1=NC(NC2C=CC=CC=2)=NC(NC2C=C(C(C=CC3=CC=C(C=C3S(O)(=O)=O)NC3N=C(NC4C=CC=CC=4)N=C(N=3)OC)=CC=2)S(O)(=O)=O)=N1,10001.0,0.0,0.0,4.0,770.8100000000002,34.0,8.0,COC1=NC(NC2C=CC=CC=2)=NC(NC2C=C(C(C=CC3=CC=C(C=C3S(O)(=O)=O)NC3N=C(NC4C=CC=CC=4)N=C(N=3)OC)=CC=2)S(O)(=O)=O)=N1,4.000043427276863,C.I. Fluorescent Brightener 213
COC1=NC=C(F)C2=NC(=NN21)S(=O)(=O)NC1C(F)=CC=CC=1F,7500.0,4.0,2.0,0.0,359.28900000000004,12.0,3.0,COC1=NC=C(F)C2=NC(=NN21)S(=O)(=O)NC1C(F)=CC=CC=1F,3.8750612633917,Florasulam
COC1=NC=C(OC)C2=NC(NS(=O)(=O)C3C(=CC=CC=3C(F)(F)F)OCC(F)F)=NN21,7500.0,3.0,1.0,0.0,483.3750000000001,16.0,5.0,COC1=NC=C(OC)C2=NC(NS(=O)(=O)C3C(=CC=CC=3C(F)(F)F)OCC(F)F)=NN21,3.8750612633917,Penoxsulam
COC1=NC=CN=C1NS(=O)(=O)C1C=CC(N)=CC=1,2739.0,4.0,3.0,0.0,280.30899999999997,11.0,3.0,COC1=NC=CN=C1NS(=O)(=O)C1C=CC(N)=CC=1,3.4375920322539613,Sulfalene
COC1=NN(C2=CC=CC=C21)C1C=CC(=CC=1)C(=O)OCCCC,3500.0,4.0,1.0,0.0,324.38,19.0,3.0,COC1=NN(C2=CC=CC=C21)C1C=CC(=CC=1)C(=O)OCCCC,3.5440680443502757,"Benzoic acid, p-(3-methoxy-1H-indazol-1-yl)-, butyl ester"
COC1=NN(CSP(=S)(OC)OC)C(=O)S1,31.0,4.0,2.0,0.0,302.339,6.0,4.0,COC1=NN(CSP(=S)(OC)OC)C(=O)S1,1.4913616938342726,Methidathion
COC1C(=CC(=CC=1OC)C1C2C(COC2=O)C(OC2OC3COC(OC3C(O)C2O)C2C=CC=CC=2)C2C=C3OCOC3=CC=21)OC,823.0,1.0,1.0,3.0,664.6600000000002,35.0,13.0,COC1C(=CC(=CC=1OC)C1C2C(COC2=O)C(OC2OC3COC(OC3C(O)C2O)C2C=CC=CC=2)C2C=C3OCOC3=CC=21)OC,2.91539983521227,
COC1C(=CC(CC2NCCC3C=C(O)C(O)=CC=32)=CC=1OC)OC,3500.0,4.0,2.0,0.0,345.39500000000015,19.0,5.0,COC1C(=CC(CC2NCCC3C=C(O)C(O)=CC=32)=CC=1OC)OC,3.5440680443502757,Trimethoquinol
COC1C(=CC=C2C=1OC(C)=C2C)C(=O)CCC(O)=O,3000.0,4.0,2.0,0.0,276.288,15.0,5.0,COC1C(=CC=C2C=1OC(C)=C2C)C(=O)CCC(O)=O,3.4771212547196626,"6-Benzofuranbutyric acid, 2,3-dimethyl-7-methoxy-gamma-oxo-, sodium salt"
COC1C(=CC=C2C=C3C4=CC5OCOC=5C=C4CC[N+]3=CC2=1)OC,10001.0,4.0,3.0,0.0,336.3670000000001,20.0,4.0,COC1C(=CC=C2C=C3C4=CC5OCOC=5C=C4CC[N+]3=CC2=1)OC,4.000043427276863,Berberine
COC1C(=O)N(C)N=CC=1OP(=S)(OC(C)C)OC(C)C,10.5,4.0,2.0,0.0,336.3500000000001,12.0,5.0,COC1C(=O)N(C)N=CC=1OP(=S)(OC(C)C)OC(C)C,1.021189299069938,"Phosphorothioic acid, O,O-bis(1-methylethyl) O-(1,6-dihydro-5-methoxy-1-methyl-6-oxo-4-pyridazinyl) ester"
COC1C(=O)N(C)N=CC=1OP(=S)(OCCC)OCCC,26.0,4.0,2.0,0.0,336.3500000000001,12.0,5.0,COC1C(=O)N(C)N=CC=1OP(=S)(OCCC)OCCC,1.414973347970818,"Phosphorothioic acid, O-(1,6-dihydro-5-methoxy-1-methyl-6-oxo-4-pyridazinyl) O,O-dipropyl ester"
COC1C(C(O)=O)=C(Cl)C(Cl)=CC=1Cl,300.0,3.0,3.0,0.0,255.484,8.0,3.0,COC1C(C(O)=O)=C(Cl)C(Cl)=CC=1Cl,2.4771212547196626,Tricamba
COC1C(C(O)=O)=C(Cl)C=CC=1Cl,4042.0,3.0,2.0,0.0,221.039,8.0,3.0,COC1C(C(O)=O)=C(Cl)C=CC=1Cl,3.606596309179285,Dicamba-potassium
COC1C(CC=C(C)CCC(O)=O)=C(O)C2=C(COC2=O)C=1C,352.0,4.0,2.0,0.0,320.341,17.0,6.0,COC1C(CC=C(C)CCC(O)=O)=C(O)C2=C(COC2=O)C=1C,2.546542663478131,Mycophenolic acid
COC1C(F)=C(F)C2NC(=NC=2C=1F)C(F)(F)F,2.894,4.0,3.0,0.0,270.13199999999995,9.0,1.0,COC1C(F)=C(F)C2NC(=NC=2C=1F)C(F)(F)F,0.46149852678301867,"Benzimidazole, 5-methoxy-4,6,7-trifluoro-2-(trifluoromethyl)-"
COC1C(O)=C(Cl)C(Cl)=C(Cl)C=1Cl,1690.0,3.0,2.0,0.0,261.919,7.0,2.0,COC1C(O)=C(Cl)C(Cl)=C(Cl)C=1Cl,3.2278867046136734,"3,4,5,6-Tetrachloroguaiacol"
COC1C(O)=CC(Cl)=C(Cl)C=1Cl,2980.0,3.0,2.0,0.0,227.474,7.0,2.0,COC1C(O)=CC(Cl)=C(Cl)C=1Cl,3.4742162640762553,"3,4,5-Trichloro-2-methoxyphenol"
COC1C(O)CC(OC1C)OC1C(O)CC(OC1C)OC1C(O)CC(OC2CCC3(C)C4CC(O)C5(C)C(CCC5(O)C4CCC3C2)C2COC(=O)C=2)OC1C,8.3,1.0,1.0,3.0,794.9760000000002,42.0,14.0,COC1C(O)CC(OC1C)OC1C(O)CC(OC1C)OC1C(O)CC(OC2CCC3(C)C4CC(O)C5(C)C(CCC5(O)C4CCC3C2)C2COC(=O)C=2)OC1C,0.919078092376074,Methyldigoxin
COC1C(OC)=C(CN2CCNCC2)C=CC=1OC,1700.0,4.0,2.0,0.0,266.34099999999995,14.0,3.0,COC1C(OC)=C(CN2CCNCC2)C=CC=1OC,3.230448921378274,Trimetazidine
COC1C(OC)=C(Cl)C2NC(=NC=2C=1Cl)C(F)(F)F,100.0,4.0,2.0,0.0,315.078,10.0,2.0,COC1C(OC)=C(Cl)C2NC(=NC=2C=1Cl)C(F)(F)F,2.0,"Benzimidazole, 4,7-dichloro-5,6-dimethoxy-2-(trifluoromethyl)-"
COC1C(OC2OC(C)C(OC3CC(C)(O)C(OC(=O)CC)C(C)O3)C(C2O)N(C)C)C(CC=O)CC(C)C(O)C=CC=CCC(C)OC(=O)CC1OC(=O)CC,9600.0,1.0,1.0,3.0,813.9790000000002,41.0,15.0,COC1C(OC2OC(C)C(OC3CC(C)(O)C(OC(=O)CC)C(C)O3)C(C2O)N(C)C)C(CC=O)CC(C)C(O)C=CC=CCC(C)OC(=O)CC1OC(=O)CC,3.9822712330395684,Midecamycin
COC1C(OC2OC(C)C(OC3CC(C)(OC(=O)CC)C(OC(=O)CCC)C(C)O3)C(C2O)N(C)C)C(CC=O)CC(C)C(O)C=CC=CCC(C)OC(=O)CC1O,4000.0,1.0,1.0,3.0,828.006,42.0,15.0,COC1C(OC2OC(C)C(OC3CC(C)(OC(=O)CC)C(OC(=O)CCC)C(C)O3)C(C2O)N(C)C)C(CC=O)CC(C)C(O)C=CC=CCC(C)OC(=O)CC1O,3.6020599913279625,Propionylleucomycin
COC1C2=C3C(CC4=CC=CC=C42)N(C)CCC3=CC=1OC,280.0,4.0,3.0,0.0,295.3820000000001,19.0,2.0,COC1C2=C3C(CC4=CC=CC=C42)N(C)CCC3=CC=1OC,2.4471580313422194,
COC1C2=C3C(CC4C=C(OC)C(=CC=42)OC)N(C)CCC3=CC=1OC,545.0,4.0,1.0,0.0,355.43400000000014,21.0,4.0,COC1C2=C3C(CC4C=C(OC)C(=CC=42)OC)N(C)CCC3=CC=1OC,2.7363965022766426,D-Glaucine
COC1C2OC=CC=2C=C2C=CC(=O)OC2=1,791.0,4.0,2.0,0.0,216.19199999999995,12.0,4.0,COC1C2OC=CC=2C=C2C=CC(=O)OC2=1,2.8981764834976764,8-Methoxypsoralen
COC1C=C(Br)C(CCC#N)=CC=1OC,7500.0,4.0,3.0,0.0,270.126,11.0,2.0,COC1C=C(Br)C(CCC#N)=CC=1OC,3.8750612633917,"3-(2-Bromo-4,5-dimethoxyphenyl)propanenitrile"
COC1C=C(C(=CC=1)N=NC1C(=CC2=CC(=CC=C2C=1O)NC1N=C(N=C(NC2=CC3C=C(C(N=NC4=CC=C(C=C4S(O)(=O)=O)OC)=C(O)C=3C=C2)S(O)(=O)=O)N=1)N1CCOCC1)S(O)(=O)=O)S(O)(=O)=O,7500.0,0.0,0.0,4.0,1069.06,41.0,17.0,COC1C=C(C(=CC=1)N=NC1C(=CC2=CC(=CC=C2C=1O)NC1N=C(N=C(NC2=CC3C=C(C(N=NC4=CC=C(C=C4S(O)(=O)=O)OC)=C(O)C=3C=C2)S(O)(=O)=O)N=1)N1CCOCC1)S(O)(=O)=O)S(O)(=O)=O,3.8750612633917,"2-Naphthalenesulfonic acid, 7,7'-[[6-(4-morpholinyl)-1,3,5-triazine-2,4-diyl]diimino]bis[4-hydroxy-3-[(4-methoxy-2-sulfophenyl)azo]-, tetrasodium salt"
COC1C=C(C(N)=CC=1)[N+]([O-])=O,10001.0,4.0,2.0,0.0,168.15200000000002,7.0,3.0,COC1C=C(C(N)=CC=1)[N+]([O-])=O,4.000043427276863,4-Methoxy-2-nitroaniline
COC1C=C(C(O)=CC=1)C(C)(C)C,3455.0,4.0,2.0,0.0,180.247,11.0,2.0,COC1C=C(C(O)=CC=1)C(C)(C)C,3.5384480517102173,2-tert-Butyl-4-methoxyphenol
COC1C=C(C)C(C=CC(C)=CC=CC(C)=CC(=O)OCC)=C(C)C=1C,4000.0,3.0,0.0,1.0,354.4900000000001,23.0,3.0,COC1C=C(C)C(C=CC(C)=CC=CC(C)=CC(=O)OCC)=C(C)C=1C,3.6020599913279625,Etretinate
COC1C=C(C=C(C=1)OC)OCCO,4050.0,4.0,1.0,0.0,198.21799999999996,10.0,4.0,COC1C=C(C=C(C=1)OC)OCCO,3.6074550232146687,Floverine [INN:DCF]
COC1C=C(C=C(Cl)N=1)C(Cl)(Cl)Cl,1500.0,3.0,2.0,0.0,260.935,7.0,1.0,COC1C=C(C=C(Cl)N=1)C(Cl)(Cl)Cl,3.1760912590556813,Pyroxychlor
COC1C=C(C=C(OC)C=1C(=O)CCCN1CCCC1)OC,410.0,4.0,2.0,0.0,307.39,17.0,4.0,COC1C=C(C=C(OC)C=1C(=O)CCCN1CCCC1)OC,2.6127838567197355,Buflomedil hydrochloride
COC1C=C(C=C(OC)C=1OC)C(=O)N1CCCCCCC1,130.0,4.0,3.0,0.0,307.39,17.0,4.0,COC1C=C(C=C(OC)C=1OC)C(=O)N1CCCCCCC1,2.113943352306837,Trocimine
COC1C=C(C=C(OC)C=1OC)C(=O)N1CCOCC1,1800.0,4.0,3.0,0.0,281.308,14.0,5.0,COC1C=C(C=C(OC)C=1OC)C(=O)N1CCOCC1,3.255272505103306,Trimetozine
COC1C=C(C=C(OC)C=1OC)C(=O)NC1CNCCC1,2100.0,4.0,2.0,0.0,294.351,15.0,4.0,COC1C=C(C=C(OC)C=1OC)C(=O)NC1CNCCC1,3.322219294733919,Troxipide
COC1C=C(C=C(OC)C=1OC)C(=O)OC1CC2CN3CCC4C5C=CC(=CC=5NC=4C3CC2C(C1OC)C(=O)OC)OC,420.0,1.0,0.0,1.0,608.6880000000004,33.0,9.0,COC1C=C(C=C(OC)C=1OC)C(=O)OC1CC2CN3CCC4C5C=CC(=CC=5NC=4C3CC2C(C1OC)C(=O)OC)OC,2.6232492903979003,Reserpine
COC1C=C(C=C(OC)C=1OC)C(=O)OCC1=CC=CC(COC(=O)C2C=C(OC)C(OC)=C(C=2)OC)=N1,3000.0,2.0,0.0,3.0,527.5260000000003,27.0,10.0,COC1C=C(C=C(OC)C=1OC)C(=O)OCC1=CC=CC(COC(=O)C2C=C(OC)C(OC)=C(C=2)OC)=N1,3.4771212547196626,Pirozadil
COC1C=C(C=C(OC)C=1OC)C(=O)OCCCN1CCN(CCC1)CCCOC(=O)C1=CC(OC)=C(OC)C(=C1)OC,2150.0,1.0,0.0,3.0,604.6970000000003,31.0,10.0,COC1C=C(C=C(OC)C=1OC)C(=O)OCCCN1CCN(CCC1)CCCOC(=O)C1=CC(OC)=C(OC)C(=C1)OC,3.3324384599156054,
COC1C=C(C=C(OC)C=1OC)C(=O)OCCOCCN1CCN(CC1)C(C1C=CC=CC=1)C1C=CC(Cl)=CC=1,2250.0,1.0,0.0,1.0,569.0980000000002,31.0,6.0,COC1C=C(C=C(OC)C=1OC)C(=O)OCCOCCN1CCN(CC1)C(C1C=CC=CC=1)C1C=CC(Cl)=CC=1,3.3521825181113627,
COC1C=C(C=C(OC)C=1OC)C(=S)N1CCOCC1,670.0,4.0,3.0,0.0,297.376,14.0,4.0,COC1C=C(C=C(OC)C=1OC)C(=S)N1CCOCC1,2.8260748027008264,Tritiozine
COC1C=C(C=C(OC)C=1OC)C=CC(=O)N1CCN(CC(=O)N2CCCC2)CC1,1310.0,4.0,1.0,0.0,417.50600000000026,22.0,5.0,COC1C=C(C=C(OC)C=1OC)C=CC(=O)N1CCN(CC(=O)N2CCCC2)CC1,3.1172712956557644,Cinepazide
COC1C=C(C=C(OC)C=1OC)C=CC(=S)N1CCOCC1,1350.0,4.0,2.0,0.0,323.41400000000004,16.0,4.0,COC1C=C(C=C(OC)C=1OC)C=CC(=S)N1CCOCC1,3.130333768495006,
COC1C=C(C=C(OC)C=1OC)C=CC(O)=O,3500.0,4.0,1.0,0.0,238.239,12.0,5.0,COC1C=C(C=C(OC)C=1OC)C=CC(O)=O,3.5440680443502757,"2-Propenoic acid, 3-(3,4,5-trimethoxyphenyl)-"
COC1C=C(C=CC(=O)OC2CC3CN4CCC5C6C=CC(=CC=6NC=5C4CC3C(C2OC)C(=O)OC)OC)C=C(OC)C=1OC,1000.0,1.0,0.0,1.0,634.7260000000003,35.0,9.0,COC1C=C(C=CC(=O)OC2CC3CN4CCC5C6C=CC(=CC=6NC=5C4CC3C(C2OC)C(=O)OC)OC)C=C(OC)C=1OC,3.0,Rescinnamine
COC1C=C(C=CC(=O)OC2CC3CN4CCC5C6C=CC(=CC=6NC=5C4CC3C(C2OC)C(=O)OC)OC)C=CC=1O,10001.0,1.0,0.0,1.0,590.6730000000003,33.0,8.0,COC1C=C(C=CC(=O)OC2CC3CN4CCC5C6C=CC(=CC=6NC=5C4CC3C(C2OC)C(=O)OC)OC)C=CC=1O,4.000043427276863,Rescimetol
COC1C=C(C=CC)C=CC=1OCCCCC,7500.0,4.0,0.0,0.0,234.3389999999999,15.0,2.0,COC1C=C(C=CC)C=CC=1OCCCCC,3.8750612633917,"Benzene, 2-methoxy-1-(pentyloxy)-4-(1-propenyl)-"
COC1C=C(C=CC=1)NC1C=CC=CC=1,3500.0,4.0,2.0,0.0,199.253,13.0,1.0,COC1C=C(C=CC=1)NC1C=CC=CC=1,3.5440680443502757,N-Phenyl-m-anisidine
COC1C=C(C=CC=1N)C1C=C(OC)C(N)=CC=1,1920.0,4.0,2.0,0.0,244.29399999999995,14.0,2.0,COC1C=C(C=CC=1N)C1C=C(OC)C(N)=CC=1,3.2833012287035497,"3,3'-Dimethoxybenzidine hydrochloride"
COC1C=C(C=CC=1O)C(=O)N(CC)CC,154.0,4.0,1.0,0.0,223.272,12.0,3.0,COC1C=C(C=CC=1O)C(=O)N(CC)CC,2.187520720836463,Ethamivan
COC1C=C(C=CC=1OC(=O)C(C)C)C=O,7500.0,4.0,2.0,0.0,222.23999999999995,12.0,4.0,COC1C=C(C=CC=1OC(=O)C(C)C)C=O,3.8750612633917,Vanillin isobutyrate
COC1C=C(C=CC=1OC)C(=CC(=O)N1CCOCC1)C1C=CC(Cl)=CC=1,4724.75,4.0,1.0,0.0,387.86300000000006,21.0,4.0,COC1C=C(C=CC=1OC)C(=CC(=O)N1CCOCC1)C1C=CC(Cl)=CC=1,3.6743788336933463,Dimethomorph
COC1C=C(C=CC=1OCCC)C=CC(=O)OCC,978.0,4.0,2.0,0.0,264.32099999999997,15.0,4.0,COC1C=C(C=CC=1OCCC)C=CC(=O)OCC,2.9903388547876015,
COC1C=C(C=CC=1OP(=S)(CCl)OCC)C#N,71.0,4.0,2.0,0.0,305.72300000000007,11.0,3.0,COC1C=C(C=CC=1OP(=S)(CCl)OCC)C#N,1.8512583487190752,
COC1C=C(C=CC=1[N+]([O-])=O)OC1C=CC(Cl)=CC=1Cl,10001.0,4.0,2.0,0.0,314.1240000000001,13.0,4.0,COC1C=C(C=CC=1[N+]([O-])=O)OC1C=CC(Cl)=CC=1Cl,4.000043427276863,Chlomethoxyfen
COC1C=C(C=O)C=CC=1O,3421.0,2.0,2.0,0.0,152.14899999999997,8.0,3.0,COC1C=C(C=O)C=CC=1O,3.5341530741850624,4-Hydroxy-3-methoxybenzaldehyde
COC1C=C(CC(=O)OCCC)C=CC=1OCC(=O)N(CC)CC,10000.0,4.0,2.0,0.0,337.41600000000005,18.0,5.0,COC1C=C(CC(=O)OCCC)C=CC=1OCC(=O)N(CC)CC,4.0,Propanidid
COC1C=C(CC2=CN=C(N)N=C2N)C=C(OC)C=1OC,2113.0,4.0,2.0,0.0,290.32300000000004,14.0,3.0,COC1C=C(CC2=CN=C(N)N=C2N)C=C(OC)C=1OC,3.3248994970523134,Trimethoprim
COC1C=C(CC2=NC=CC3C=C(OC)C(=CC=32)OC)C=CC=1OC,68.8,4.0,1.0,0.0,339.3910000000001,20.0,4.0,COC1C=C(CC2=NC=CC3C=C(OC)C(=CC=32)OC)C=CC=1OC,1.8375884382355112,Papaverine hydrochloride
COC1C=C(CC=C)C=C2OCOC2=1,4260.0,4.0,2.0,0.0,192.2139999999999,11.0,3.0,COC1C=C(CC=C)C=C2OCOC2=1,3.629409599102719,Myristicin
COC1C=C(CC=C)C=CC=1O,2528.0,4.0,2.0,0.0,164.20399999999995,10.0,2.0,COC1C=C(CC=C)C=CC=1O,3.402777069610347,Eugenol
COC1C=C(CC=C)C=CC=1OC=O,3400.0,4.0,2.0,0.0,192.2139999999999,11.0,3.0,COC1C=C(CC=C)C=CC=1OC=O,3.531478917042255,Eugenyl formate
COC1C=C(CCC)C=CC=1OCC(=O)N1CCN(CC1)C(=O)COC1=CC=C(CCC)C=C1OC,1025.0,1.0,0.0,0.0,498.62000000000035,28.0,6.0,COC1C=C(CCC)C=CC=1OCC(=O)N1CCN(CC1)C(=O)COC1=CC=C(CCC)C=C1OC,3.010723865391773,Simetride
COC1C=C(CCNC(=O)C(OCC#C)C2C=CC(Cl)=CC=2)C=CC=1OCC#C,7500.0,4.0,1.0,0.0,411.8850000000001,23.0,4.0,COC1C=C(CCNC(=O)C(OCC#C)C2C=CC(Cl)=CC=2)C=CC=1OCC#C,3.8750612633917,Mandipropamid
COC1C=C(CNC(=O)CCCCC=CC(C)C)C=CC=1O,154.65,4.0,1.0,0.0,305.418,18.0,3.0,COC1C=C(CNC(=O)CCCCC=CC(C)C)C=CC=1O,2.1893499243391976,Capsaicin
COC1C=C(CNCC(O)COC2C=C3C=CC(=O)NC3=CC=2)C=CC=1OC,1500.0,4.0,1.0,0.0,384.4320000000002,21.0,5.0,COC1C=C(CNCC(O)COC2C=C3C=CC(=O)NC3=CC=2)C=CC=1OC,3.1760912590556813,Toborinone
COC1C=C(Cl)C(=CC=1Cl)OC,10001.0,4.0,2.0,0.0,207.056,8.0,2.0,COC1C=C(Cl)C(=CC=1Cl)OC,4.000043427276863,Chloroneb
COC1C=C(N)C2=C(C(=O)C3=CC=CC=C3C2=O)C=1N,891.0,4.0,3.0,0.0,268.272,15.0,3.0,COC1C=C(N)C2=C(C(=O)C3=CC=CC=C3C2=O)C=1N,2.949877704036875,"9,10-Anthracenedione, 1,4-diamino-2-methoxy-"
COC1C=C(N)C=CC=1,526.0,1.0,2.0,0.0,123.155,7.0,1.0,COC1C=C(N)C=CC=1,2.7209857441537393,3-Methoxyaniline
COC1C=C(N)C=CC=1N,60.0,3.0,2.0,0.0,138.17,7.0,1.0,COC1C=C(N)C=CC=1N,1.7781512503836436,"1,4-Benzenediamine, 2-methoxy-"
COC1C=C(N=C(N=1)OC1=CC=CC(OC2=NC(=CC(=N2)OC)OC)=C1C(O)=O)OC,3220.25,4.0,1.0,2.0,430.3730000000002,19.0,8.0,COC1C=C(N=C(N=1)OC1=CC=CC(OC2=NC(=CC(=N2)OC)OC)=C1C(O)=O)OC,3.507889588902626,Bispyribac-sodium
COC1C=C(NS(=O)(=O)C2C=CC(N)=CC=2)N=CN=1,10000.0,4.0,3.0,0.0,280.309,11.0,3.0,COC1C=C(NS(=O)(=O)C2C=CC(N)=CC=2)N=CN=1,4.0,Sulfamonomethoxine
COC1C=C(O)C(=CC=1)C(=O)C1C=CC=CC=1,10001.0,4.0,2.0,0.0,228.247,14.0,3.0,COC1C=C(O)C(=CC=1)C(=O)C1C=CC=CC=1,4.000043427276863,2-Hydroxy-4-methoxybenzophenone
COC1C=C(O)C(=CC=1)C(=O)C1C=CC=CC=1O,3500.0,4.0,2.0,0.0,244.246,14.0,4.0,COC1C=C(O)C(=CC=1)C(=O)C1C=CC=CC=1O,3.5440680443502757,"2,2'-Dihydroxy-4-methoxybenzophenone"
COC1C=C(O)C(=CC=1S(O)(=O)=O)C(=O)C1C=CC=CC=1,3530.0,4.0,3.0,0.0,308.31100000000004,14.0,6.0,COC1C=C(O)C(=CC=1S(O)(=O)=O)C(=O)C1C=CC=CC=1,3.5477747053878224,Sulibenzone
COC1C=C(O)C=CC=1,597.0,1.0,2.0,0.0,124.13899999999995,7.0,2.0,COC1C=C(O)C=CC=1,2.775974331129369,3-Methoxyphenol
COC1C=C(OC)N2N=C(N)N=C2N=1,1030.0,4.0,2.0,0.0,195.182,7.0,2.0,COC1C=C(OC)N2N=C(N)N=C2N=1,3.012837224705172,"[1,2,4]Triazolo[1,5-a]pyrimidin-2-amine, 5,7-dimethoxy-"
COC1C=C2C(N)=NC(=NC2=CC=1OC)N1CCN(CC1)C(=O)C1=CC=CO1,1950.0,4.0,2.0,0.0,383.40800000000024,19.0,4.0,COC1C=C2C(N)=NC(=NC2=CC=1OC)N1CCN(CC1)C(=O)C1=CC=CO1,3.290034611362518,Prazosin hydrochloride
COC1C=C2C3C4C=1C1C5C6C(=CC=1OC)C1C=CC=CC=1C(=O)C=6C=CC=5C=4C=CC=3C(=O)C1C=CC=CC=12,10000.0,1.0,1.0,2.0,516.5520000000002,36.0,4.0,COC1C=C2C3C4C=1C1C5C6C(=CC=1OC)C1C=CC=CC=1C(=O)C=6C=CC=5C=4C=CC=3C(=O)C1C=CC=CC=12,4.0,C.I. Vat Green 1
COC1C=C2C3CC(CC4CCCCN43)OC(=O)C=CC3=CC(=C(O)C=C3)C2=CC=1OC |c:20|,1000.0,4.0,1.0,0.0,435.52000000000015,26.0,5.0,COC1C=C2C3CC(CC4CCCCN43)OC(=O)C=CC3=CC(=C(O)C=C3)C2=CC=1OC |c:20|,3.0,
COC1C=C2C=CC(=O)OC2=CC=1O,3800.0,4.0,2.0,0.0,192.17,10.0,4.0,COC1C=C2C=CC(=O)OC2=CC=1O,3.57978359661681,Scopoletin
COC1C=C2CC(=O)N=CCC2=CC=1OC,3500.0,4.0,2.0,0.0,219.23999999999995,12.0,3.0,COC1C=C2CC(=O)N=CCC2=CC=1OC,3.5440680443502757,"7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one"
COC1C=C2CCCCC2=CC=1,3500.0,4.0,2.0,0.0,162.23199999999994,11.0,1.0,COC1C=C2CCCCC2=CC=1,3.5440680443502757,"1,2,3,4-Tetrahydro-6-methoxynaphthalene"
COC1C=C2CCN(C(C2=CC=1)C1=CC(Br)=CC=C1)C1C=CC=CC=1,1000.0,3.0,1.0,1.0,394.312,22.0,1.0,COC1C=C2CCN(C(C2=CC=1)C1=CC(Br)=CC=C1)C1C=CC=CC=1,3.0,
COC1C=C2CCN(C(C2=CC=1)C1=CC=CC=C1Cl)C1C=CC=CC=1,1000.0,4.0,2.0,1.0,349.861,22.0,1.0,COC1C=C2CCN(C(C2=CC=1)C1=CC=CC=C1Cl)C1C=CC=CC=1,3.0,
COC1C=C2CCN(C(C2=CC=1)C1=CC=CC=C1F)C1C=CC=CC=1,1000.0,4.0,2.0,0.0,333.406,22.0,1.0,COC1C=C2CCN(C(C2=CC=1)C1=CC=CC=C1F)C1C=CC=CC=1,3.0,
COC1C=C2CCN(C(C2=CC=1)C1C=CC(Cl)=CC=1)C1C=CC=CC=1,1000.0,4.0,2.0,1.0,349.861,22.0,1.0,COC1C=C2CCN(C(C2=CC=1)C1C=CC(Cl)=CC=1)C1C=CC=CC=1,3.0,
COC1C=C2CCN(C(C2=CC=1)C1C=CC(O)=CC=1)C1C=CC=CC=1,1000.0,4.0,2.0,0.0,331.415,22.0,2.0,COC1C=C2CCN(C(C2=CC=1)C1C=CC(O)=CC=1)C1C=CC=CC=1,3.0,
COC1C=C2CCN(C(C2=CC=1OC)C1=CC=CC=C1F)C1C=CC=CC=1,1000.0,4.0,1.0,0.0,363.4320000000002,23.0,2.0,COC1C=C2CCN(C(C2=CC=1OC)C1=CC=CC=C1F)C1C=CC=CC=1,3.0,
COC1C=C2OC(=O)C=CC2=CC=1OC,292.0,4.0,2.0,0.0,206.19699999999995,11.0,4.0,COC1C=C2OC(=O)C=CC2=CC=1OC,2.4653828514484184,Scoparone
COC1C=C2OC3OC=CC3C2=C2OC3=CC=CC(O)=C3C(=O)C=12,143.0,4.0,3.0,0.0,324.28800000000007,18.0,6.0,COC1C=C2OC3OC=CC3C2=C2OC3=CC=CC(O)=C3C(=O)C=12,2.155336037465062,Sterigmatocystin
COC1C=CC(=CC=1)C(=O)C1C=CC=CC=1,7500.0,4.0,2.0,0.0,212.248,14.0,2.0,COC1C=CC(=CC=1)C(=O)C1C=CC=CC=1,3.8750612633917,4-Methoxybenzophenone
COC1C=CC(=CC=1)C(=O)C1CC1,500.0,4.0,2.0,0.0,176.21499999999995,11.0,2.0,COC1C=CC(=CC=1)C(=O)C1CC1,2.6989700043360187,"Methanone, cyclopropyl(4-methoxyphenyl)-"
COC1C=CC(=CC=1)C(=O)CC(=O)C1C=CC(=CC=1)C(C)(C)C,10001.0,4.0,2.0,0.0,310.393,20.0,3.0,COC1C=CC(=CC=1)C(=O)CC(=O)C1C=CC(=CC=1)C(C)(C)C,4.000043427276863,"1-(4-tert-Butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione"
COC1C=CC(=CC=1)C(=O)N1CCCC1=O,4500.0,4.0,2.0,0.0,219.23999999999995,12.0,3.0,COC1C=CC(=CC=1)C(=O)N1CCCC1=O,3.6532125137753435,Aniracetam
COC1C=CC(=CC=1)C(=O)NC1=CC=CC=C1CCC1CCCCN1C,57.0,4.0,0.0,0.0,352.4780000000001,22.0,2.0,COC1C=CC(=CC=1)C(=O)NC1=CC=CC=C1CCC1CCCCN1C,1.7558748556724915,Encainide hydrochloride
COC1C=CC(=CC=1)C(C1C=CC(=CC=1)OC)C(Cl)(Cl)Cl,4230.0,4.0,2.0,1.0,345.653,16.0,2.0,COC1C=CC(=CC=1)C(C1C=CC(=CC=1)OC)C(Cl)(Cl)Cl,3.6263403673750423,Methoxychlor
COC1C=CC(=CC=1)C(CN(C)C)C1(O)CCCCC1,505.0,4.0,2.0,0.0,277.4079999999999,17.0,2.0,COC1C=CC(=CC=1)C(CN(C)C)C1(O)CCCCC1,2.7032913781186614,Venlafaxine hydrochloride
COC1C=CC(=CC=1)C(O)(C1CC1)C1C=NC=NC=1,4500.0,4.0,3.0,0.0,256.305,15.0,2.0,COC1C=CC(=CC=1)C(O)(C1CC1)C1C=NC=NC=1,3.6532125137753435,Ancymidol
COC1C=CC(=CC=1)C(O)=O,7500.0,1.0,2.0,0.0,152.149,8.0,3.0,COC1C=CC(=CC=1)C(O)=O,3.8750612633917,Sodium anisate
COC1C=CC(=CC=1)C(OC)OC,4250.0,4.0,2.0,0.0,182.219,10.0,3.0,COC1C=CC(=CC=1)C(OC)OC,3.6283889300503116,p-(Dimethoxymethyl)anisole
COC1C=CC(=CC=1)C(OCC1OC(CC1O)N1C=NC2C1=NC=NC=2NC(=O)C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC(=CC=1)OC,3500.0,0.0,0.0,2.0,657.7270000000002,38.0,6.0,COC1C=CC(=CC=1)C(OCC1OC(CC1O)N1C=NC2C1=NC=NC=2NC(=O)C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC(=CC=1)OC,3.5440680443502757,"Adenosine, N-benzoyl-5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-"
COC1C=CC(=CC=1)C1(O)C2=CC=CC=C2C2=NCCN12,400.0,4.0,3.0,0.0,280.327,17.0,2.0,COC1C=CC(=CC=1)C1(O)C2=CC=CC=C2C2=NCCN12,2.6020599913279625,
COC1C=CC(=CC=1)C1=C(CC(O)=O)ON=C1C1C=CC(=CC=1)OC,887.0,4.0,1.0,0.0,339.34700000000004,19.0,5.0,COC1C=CC(=CC=1)C1=C(CC(O)=O)ON=C1C1C=CC(=CC=1)OC,2.9479236198317262,Mofezolac
COC1C=CC(=CC=1)C1=CSC(NC(=O)C(=O)OCC)=N1,3000.0,4.0,3.0,0.0,306.343,14.0,4.0,COC1C=CC(=CC=1)C1=CSC(NC(=O)C(=O)OCC)=N1,3.4771212547196626,Tioxamast
COC1C=CC(=CC=1)C1C=C(N)C2=C(C(=O)C3C(C2=O)=C(O)C=CC=3N)C=1O,6380.0,4.0,2.0,0.0,376.36800000000005,21.0,5.0,COC1C=CC(=CC=1)C1C=C(N)C2=C(C(=O)C3C(C2=O)=C(O)C=CC=3N)C=1O,3.8048206787211623,"4,8-Diamino-1,5-dihydroxy-2-(4-methoxyphenyl)anthraquinone"
COC1C=CC(=CC=1)C1C=CC(=CC=1)C#N,10000.0,4.0,2.0,0.0,209.248,14.0,1.0,COC1C=CC(=CC=1)C1C=CC(=CC=1)C#N,4.0,"[1,1'-Biphenyl]-4-carbonitrile, 4'-methoxy-"
COC1C=CC(=CC=1)N(C)/N=C/C1=[N+](C)C2C=CC=CC=2C1(C)C,873.5,4.0,1.0,0.0,322.4320000000001,20.0,1.0,COC1C=CC(=CC=1)N(C)/N=C/C1=[N+](C)C2C=CC=CC=2C1(C)C,2.94126290931895,"3H-Indolium, 2-[[2-(4-methoxyphenyl)-2-methylhydrazinylidene]methyl]-1,3,3-trimethyl-, formate (1:1)"
COC1C=CC(=CC=1)N(CCCC(O)=O)C(=O)C1C=CC(Cl)=CC=1,3500.0,4.0,1.0,0.0,347.798,18.0,4.0,COC1C=CC(=CC=1)N(CCCC(O)=O)C(=O)C1C=CC(Cl)=CC=1,3.5440680443502757,Clanobutin
COC1C=CC(=CC=1)N1CCN(CC1)C1C=CC(=CC=1)N1CN=NC1=O,3500.0,4.0,2.0,0.0,351.41000000000014,19.0,2.0,COC1C=CC(=CC=1)N1CCN(CC1)C1C=CC(=CC=1)N1CN=NC1=O,3.5440680443502757,"2,4-Dihydro-4-(4-(4-(4-methoxyphenyl)piperazin-1-yl)phenyl)-3H-1,2,4-triazol-3-one"
COC1C=CC(=CC=1)N1N=C(C2CCN(C3C=CC(=CC=3)N3CCCCC3=O)C(=O)C1=2)C(=O)OCC,2751.0,2.0,0.0,0.0,488.5440000000005,27.0,5.0,COC1C=CC(=CC=1)N1N=C(C2CCN(C3C=CC(=CC=3)N3CCCCC3=O)C(=O)C1=2)C(=O)OCC,3.4394905903896835,"Ethyl 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate"
COC1C=CC(=CC=1)N=NC1=CC=C(C=C1OC)N=NC1=CC(=CC=C1)S(O)(=O)=O,1825.0,3.0,0.0,1.0,426.4540000000002,20.0,5.0,COC1C=CC(=CC=1)N=NC1=CC=C(C=C1OC)N=NC1=CC(=CC=C1)S(O)(=O)=O,3.2612628687924934,"Benzenesulfonic acid, 3-[[3-methoxy-4-[(4-methoxyphenyl)azo]phenyl]azo]-, sodium salt"
COC1C=CC(=CC=1)N=NN(C)C,347.0,4.0,2.0,0.0,179.223,9.0,1.0,COC1C=CC(=CC=1)N=NN(C)C,2.5403294747908736,
COC1C=CC(=CC=1)NC(=O)C1C=C2C=CC=CC2=CC=1O,6251.0,4.0,2.0,0.0,293.322,18.0,3.0,COC1C=CC(=CC=1)NC(=O)C1C=C2C=CC=CC2=CC=1O,3.7959494989028033,"2-Naphthalenecarboxamide, 3-hydroxy-N-(4-methoxyphenyl)-, monosodium salt"
COC1C=CC(=CC=1)NC1C=CC(=CC=1)OC,2470.0,4.0,2.0,0.0,229.279,14.0,2.0,COC1C=CC(=CC=1)NC1C=CC(=CC=1)OC,3.392696953259666,"4,4'-Dimethoxydiphenylamine"
COC1C=CC(=CC=1)OC,3600.0,2.0,2.0,0.0,138.166,8.0,2.0,COC1C=CC(=CC=1)OC,3.5563025007672873,Hydroquinone dimethyl ether
COC1C=CC(=CC=1)OC1C=CC(=CC=1)NC(=O)N(C)C,1000.0,4.0,2.0,0.0,286.331,16.0,3.0,COC1C=CC(=CC=1)OC1C=CC(=CC=1)NC(=O)N(C)C,3.0,Difenoxuron
COC1C=CC(=CC=1)S(=O)(=O)NC1=NN=C(CC(C)C)S1,534.0,4.0,2.0,0.0,327.43100000000004,13.0,3.0,COC1C=CC(=CC=1)S(=O)(=O)NC1=NN=C(CC(C)C)S1,2.727541257028556,Glysobuzole
COC1C=CC(=CC=1)S(=O)(=O)NC1=NN=C(S1)C(C)(C)C,1150.0,4.0,3.0,0.0,327.43100000000004,13.0,3.0,COC1C=CC(=CC=1)S(=O)(=O)NC1=NN=C(S1)C(C)(C)C,3.060697840353612,"Benzenesulfonamide, N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-p-methoxy-"
COC1C=CC(=CC=1)[N+]([O-])=O,2300.0,1.0,2.0,0.0,153.137,7.0,3.0,COC1C=CC(=CC=1)[N+]([O-])=O,3.361727836017593,p-Nitroanisole
COC1C=CC(=CC=1C(=O)NCC1=CN=CC=C1)C(=O)NCC1=CN=CC=C1,3000.0,4.0,1.0,0.0,376.4160000000001,21.0,3.0,COC1C=CC(=CC=1C(=O)NCC1=CN=CC=C1)C(=O)NCC1=CN=CC=C1,3.4771212547196626,Picotamide
COC1C=CC(=CC=1C(=O)OC)S(C)(=O)=O,3500.0,4.0,2.0,0.0,244.26799999999997,10.0,5.0,COC1C=CC(=CC=1C(=O)OC)S(C)(=O)=O,3.5440680443502757,Methyl 5-mesyl-o-anisate
COC1C=CC(=CC=1C(=O)OCC)S(N)(=O)=O,3500.0,4.0,3.0,0.0,259.28299999999996,10.0,5.0,COC1C=CC(=CC=1C(=O)OCC)S(N)(=O)=O,3.5440680443502757,Ethyl 5-sulphamoyl-o-anisate
COC1C=CC(=CC=1C)C(=O)C1C=C(C)C=CC=1,4000.0,4.0,1.0,0.0,240.302,16.0,2.0,COC1C=CC(=CC=1C)C(=O)C1C=C(C)C=CC=1,3.6020599913279625,Methoxyphenone
COC1C=CC(=CC=1Cl)NC(=O)N(C)C,1600.0,4.0,2.0,0.0,228.67899999999997,10.0,2.0,COC1C=CC(=CC=1Cl)NC(=O)N(C)C,3.2041199826559246,Metoxuron
COC1C=CC(=CC=1Cl)[N+]([O-])=O,1180.0,3.0,2.0,0.0,187.582,7.0,3.0,COC1C=CC(=CC=1Cl)[N+]([O-])=O,3.0718820073061255,2-Chloro-4-nitroanisole
COC1C=CC(=CC=1F)C(OC1C=CC=CC=1)C1NCCCN=1,1000.0,4.0,3.0,0.0,314.35999999999996,18.0,2.0,COC1C=CC(=CC=1F)C(OC1C=CC=CC=1)C1NCCCN=1,3.0,
COC1C=CC(=CC=1N)C(=O)NC1C=CC=CC=1,2751.0,4.0,2.0,0.0,242.278,14.0,2.0,COC1C=CC(=CC=1N)C(=O)NC1C=CC=CC=1,3.4394905903896835,3-Amino-4-methoxybenzanilide
COC1C=CC(=CC=1N)OC,578.0,3.0,2.0,0.0,153.18099999999998,8.0,2.0,COC1C=CC(=CC=1N)OC,2.761927838420529,"Benzenamine, 2,5-dimethoxy-"
COC1C=CC(=CC=1N)[N+]([O-])=O,2250.0,4.0,2.0,0.0,168.152,7.0,3.0,COC1C=CC(=CC=1N)[N+]([O-])=O,3.3521825181113627,2-Methoxy-5-nitroaniline hydrochloride
COC1C=CC(=CC=1N=NC1C(O)=C(C=C2C=CC=CC2=1)C(=O)NC1C=C(Cl)C=CC=1OC)C(=O)NC1C=CC=CC=1,2751.0,1.0,0.0,2.0,581.0280000000002,32.0,5.0,COC1C=CC(=CC=1N=NC1C(O)=C(C=C2C=CC=CC2=1)C(=O)NC1C=C(Cl)C=CC=1OC)C(=O)NC1C=CC=CC=1,3.4394905903896835,"2-Naphthalenecarboxamide, N-(5-chloro-2-methoxyphenyl)-3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]-"
COC1C=CC(=CC=1N=NC1C(O)=C(C=C2C=CC=CC2=1)C(N)=O)C(=O)NC1C=CC=CC=1,3750.0,4.0,0.0,1.0,440.45900000000023,25.0,4.0,COC1C=CC(=CC=1N=NC1C(O)=C(C=C2C=CC=CC2=1)C(N)=O)C(=O)NC1C=CC=CC=1,3.574031267727719,"2-Naphthalenecarboxamide, 3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]-"
COC1C=CC(=CC=1NNC(=O)OC(C)C)C1C=CC=CC=1,7500.0,4.0,1.0,0.0,300.35800000000006,17.0,3.0,COC1C=CC(=CC=1NNC(=O)OC(C)C)C1C=CC=CC=1,3.8750612633917,Bifenazate
COC1C=CC(=CC=1O)C1=CC(=O)C2C(=CC(O)=CC=2O)O1,10001.0,4.0,3.0,0.0,300.266,16.0,6.0,COC1C=CC(=CC=1O)C1=CC(=O)C2C(=CC(O)=CC=2O)O1,4.000043427276863,Diosmetin
COC1C=CC(=CC=1OC)S(=O)(=O)NC(=O)NC1CCCCC1,3500.0,4.0,3.0,0.0,342.4170000000002,15.0,5.0,COC1C=CC(=CC=1OC)S(=O)(=O)NC(=O)NC1CCCCC1,3.5440680443502757,"Urea, 1-cyclohexyl-3-(3,4-dimethoxybenzenesulfonyl)-"
COC1C=CC(=CC=1[N+]([O-])=O)OC,2220.0,4.0,2.0,0.0,183.163,8.0,4.0,COC1C=CC(=CC=1[N+]([O-])=O)OC,3.346352974450639,"Benzene, 1,4-dimethoxy-2-nitro-"
COC1C=CC(Br)=CC=1,1931.0,3.0,2.0,0.0,187.036,7.0,1.0,COC1C=CC(Br)=CC=1,3.285782273779395,"Benzene, 1-bromo-4-methoxy-"
COC1C=CC(C=C(C(=O)OC)C(=O)OC)=CC=1,3500.0,4.0,3.0,0.0,250.24999999999997,13.0,5.0,COC1C=CC(C=C(C(=O)OC)C(=O)OC)=CC=1,3.5440680443502757,"Propanedioic acid, [(4-methoxyphenyl)methylene]-, dimethyl ester"
COC1C=CC(C=C2N=C(OC2=O)C2C=CC(=CC=2)C2=NC(=CC3C=CC(=CC=3)OC)C(=O)O2)=CC=1,7500.0,2.0,0.0,0.0,480.4760000000002,28.0,6.0,COC1C=CC(C=C2N=C(OC2=O)C2C=CC(=CC=2)C2=NC(=CC3C=CC(=CC=3)OC)C(=O)O2)=CC=1,3.8750612633917,"5(4H)-Oxazolone, 2,2'-(1,4-phenylene)bis[4-[(4-methoxyphenyl)methylene]-"
COC1C=CC(C=CC(=S)OCC)=CC=1OCCC,970.0,4.0,1.0,0.0,280.389,15.0,3.0,COC1C=CC(C=CC(=S)OCC)=CC=1OCCC,2.9867717342662448,
COC1C=CC(C=O)=CC=1,2360.0,1.0,2.0,0.0,136.14999999999998,8.0,2.0,COC1C=CC(C=O)=CC=1,3.3729120029701067,4-Methoxybenzaldehyde
COC1C=CC(CC#N)=CC=1OC,230.0,4.0,2.0,0.0,177.203,10.0,2.0,COC1C=CC(CC#N)=CC=1OC,2.361727836017593,"3,4-Dimethoxyphenylacetonitrile"
COC1C=CC(CC(=NC(=O)C(CC)CC)C(O)=O)=CC=1,4000.0,4.0,2.0,0.0,291.34700000000004,16.0,4.0,COC1C=CC(CC(=NC(=O)C(CC)CC)C(O)=O)=CC=1,3.6020599913279625,
COC1C=CC(CC(C)C=O)=CC=1,4000.0,4.0,2.0,0.0,178.231,11.0,2.0,COC1C=CC(CC(C)C=O)=CC=1,3.6020599913279625,3-(4-Methoxyphenyl)-2-methylpropanal
COC1C=CC(CC(C)NCCOC2C=CC=CC=2OCC)=CC=1S(N)(=O)=O,650.0,4.0,1.0,0.0,408.5200000000001,20.0,5.0,COC1C=CC(CC(C)NCCOC2C=CC=CC=2OCC)=CC=1S(N)(=O)=O,2.8129133566428557,Tamsulosin
COC1C=CC(CC(O)=O)=CC=1,1550.0,4.0,2.0,0.0,166.17600000000002,9.0,3.0,COC1C=CC(CC(O)=O)=CC=1,3.1903316981702914,"Benzeneacetic acid, 4-methoxy-"
COC1C=CC(CC2CN=C(O)N2)=CC=1OC1CCCC1,600.0,4.0,3.0,0.0,290.3630000000001,16.0,3.0,COC1C=CC(CC2CN=C(O)N2)=CC=1OC1CCCC1,2.7781512503836434,
COC1C=CC(CC=C)=CC=1,1230.0,3.0,2.0,0.0,148.20499999999998,10.0,1.0,COC1C=CC(CC=C)=CC=1,3.089905111439398,Estragole
COC1C=CC(CCN)=CC=1OC,720.0,4.0,2.0,0.0,181.235,10.0,2.0,COC1C=CC(CCN)=CC=1OC,2.8573324964312685,"Benzeneethanamine, 3,4-dimethoxy-"
COC1C=CC(CCl)=CC=1OC,4700.0,4.0,2.0,0.0,186.638,9.0,2.0,COC1C=CC(CCl)=CC=1OC,3.6720978579357175,"4-(Chloromethyl)-1,2-dimethoxy benzene"
COC1C=CC(CO)=CC=1,1287.0,2.0,2.0,0.0,138.166,8.0,2.0,COC1C=CC(CO)=CC=1,3.1095785469043866,(4-Methoxyphenyl)methanol
COC1C=CC(COC(=O)CC2C=CC=CC=2)=CC=1,7500.0,4.0,3.0,0.0,256.301,16.0,3.0,COC1C=CC(COC(=O)CC2C=CC=CC=2)=CC=1,3.8750612633917,"Benzeneacetic acid, (4-methoxyphenyl)methyl ester"
COC1C=CC(Cl)=CC=1C(=O)NCCC1C=CC(=CC=1)S(=O)(=O)NC(=O)NC1CCCCC1,10001.0,3.0,0.0,0.0,494.0130000000003,23.0,5.0,COC1C=CC(Cl)=CC=1C(=O)NCCC1C=CC(=CC=1)S(=O)(=O)NC(=O)NC1CCCCC1,4.000043427276863,Glybenclamide
COC1C=CC(N)=CC=1,1360.0,1.0,2.0,0.0,123.155,7.0,1.0,COC1C=CC(N)=CC=1,3.1335389083702174,4-Methoxyaniline
COC1C=CC(N)=CC=1Cl,550.0,2.0,2.0,0.0,157.6,7.0,1.0,COC1C=CC(N)=CC=1Cl,2.7403626894942437,2-Chloro-4-anisidine
COC1C=CC(N)=CC=1N,4000.0,3.0,2.0,0.0,138.17,7.0,1.0,COC1C=CC(N)=CC=1N,3.6020599913279625,"2,4-Diaminoanisole sulfate"
COC1C=CC(N)=CC=1OC,681.0,3.0,2.0,0.0,153.18099999999998,8.0,2.0,COC1C=CC(N)=CC=1OC,2.833147111912785,"3,4-Dimethoxyaniline"
COC1C=CC(O)=CC=1,1600.0,1.0,2.0,0.0,124.13899999999995,7.0,2.0,COC1C=CC(O)=CC=1,3.2041199826559246,4-Methoxyphenol
COC1C=CC2=C(C=1)NC1C3CC4C(C(OC)C(CC4CN3CCC=12)OC)C(=O)OC,182.0,4.0,1.0,0.0,428.5290000000003,24.0,5.0,COC1C=CC2=C(C=1)NC1C3CC4C(C(OC)C(CC4CN3CCC=12)OC)C(=O)OC,2.2600713879850747,Metoserpate hydrochloride
COC1C=CC2=C(C=1)OC(C)(C)C(=C2C1C=CC(=CC=1)OCC=C)C1C=CC=CC=1,500.0,3.0,0.0,1.0,398.5020000000001,27.0,3.0,COC1C=CC2=C(C=1)OC(C)(C)C(=C2C1C=CC(=CC=1)OCC=C)C1C=CC=CC=1,2.6989700043360187,"2H-1-Benzopyran, 7-methoxy-2,2-dimethyl-3-phenyl-4-(4-(2-propenyloxy)phenyl)-"
COC1C=CC2=C(OC3=CC=CC=C3C2=O)C=1CN1CCCCC1,183.0,4.0,2.0,0.0,323.39200000000017,20.0,3.0,COC1C=CC2=C(OC3=CC=CC=C3C2=O)C=1CN1CCCCC1,2.2624510897304293,Mepixanox
COC1C=CC2C(=O)C(C)=C(C)OC=2C=1CN1CCOCC1,44.0,4.0,3.0,0.0,303.35800000000006,17.0,4.0,COC1C=CC2C(=O)C(C)=C(C)OC=2C=1CN1CCOCC1,1.6434526764861874,"2,3-Dimethyl-7-methoxy-8-(morpholinomethyl)chromone"
COC1C=CC2C(C(C3C=CC=CC=3)C(C)(C)OC=2C=1)C1C=CC(=CC=1)OCCN,500.0,4.0,0.0,1.0,403.5220000000002,26.0,3.0,COC1C=CC2C(C(C3C=CC=CC=3)C(C)(C)OC=2C=1)C1C=CC(=CC=1)OCCN,2.6989700043360187,"Ethanamine, 2-(4-(3,4-dihydro-7-methoxy-2,2-dimethyl-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)-,hydrochloride, trans-"
COC1C=CC2CC3C4C=CC(O)C5OC=1C=2C45CCN3C,322.25,4.0,3.0,0.0,299.3700000000001,18.0,3.0,COC1C=CC2CC3C4C=CC(O)C5OC=1C=2C45CCN3C,2.5081929260254405,Codeine hydrate
COC1C=CC2CC3C4C=CC(O)C5OC=1C=2C45CC[N+]3(C)[O-],1600.0,4.0,3.0,0.0,315.36900000000014,18.0,4.0,COC1C=CC2CC3C4C=CC(O)C5OC=1C=2C45CC[N+]3(C)[O-],3.2041199826559246,Codeine N-oxide
COC1C=CC2CC3C4C=CC(OC(=O)C5=CN=CC=C5)C5OC=1C=2C45CCN3C,840.0,4.0,2.0,0.0,404.4660000000002,24.0,4.0,COC1C=CC2CC3C4C=CC(OC(=O)C5=CN=CC=C5)C5OC=1C=2C45CCN3C,2.9242792860618816,Nicocodine hydrochloride
COC1C=CC2CC3C4CCC(=O)C5OC=1C=2C45CCN3C,375.0,4.0,3.0,0.0,299.37000000000006,18.0,3.0,COC1C=CC2CC3C4CCC(=O)C5OC=1C=2C45CCN3C,2.574031267727719,Hydrocodone bitartrate
COC1C=CC2CC3C4CCCCC4(CCN3C)C=2C=1,233.0,4.0,3.0,0.0,271.404,18.0,1.0,COC1C=CC2CC3C4CCCCC4(CCN3C)C=2C=1,2.367355921026019,Dextromethorphan hydrobromide
COC1C=CC2CC3N(C)CCC45C(OC=1C4=2)C(=O)CCC53O,1150.0,4.0,3.0,0.0,315.3690000000001,18.0,4.0,COC1C=CC2CC3N(C)CCC45C(OC=1C4=2)C(=O)CCC53O,3.060697840353612,Oxycodone
COC1C=CC2CN(C)CCC34C=CC(O)CC3OC=1C4=2,75.0,4.0,3.0,0.0,287.35900000000004,17.0,3.0,COC1C=CC2CN(C)CCC34C=CC(O)CC3OC=1C4=2,1.8750612633917,Galantamine hydrobromide
COC1C=CC=C(CCC2=CC=CC=C2OCC(CN(C)C)OC(=O)CCC(O)=O)C=1,4400.0,4.0,1.0,0.0,429.51300000000026,24.0,6.0,COC1C=CC=C(CCC2=CC=CC=C2OCC(CN(C)C)OC(=O)CCC(O)=O)C=1,3.6434526764861874,Sarpogrelate
COC1C=CC=C(OC)C=1C(=O)NC(=O)NC1C(F)=CC=CC=1F,500.0,4.0,3.0,0.0,336.29400000000004,16.0,4.0,COC1C=CC=C(OC)C=1C(=O)NC(=O)NC1C(F)=CC=CC=1F,2.6989700043360187,"Benzamide, N-[[(2,6-difluorophenyl)amino]carbonyl]-2,6-dimethoxy-"
COC1C=CC=C(OC)C=1C(=O)NC1=CC(=NO1)C(C)(CC)CC,10000.0,4.0,1.0,0.0,332.40000000000003,18.0,4.0,COC1C=CC=C(OC)C=1C(=O)NC1=CC(=NO1)C(C)(CC)CC,4.0,Isoxaben
COC1C=CC=C2C3C(C(=CC=12)[N+]([O-])=O)=C(C=C1OCOC1=3)C(O)=O,184.0,4.0,3.0,0.0,341.2750000000001,17.0,7.0,COC1C=CC=C2C3C(C(=CC=12)[N+]([O-])=O)=C(C=C1OCOC1=3)C(O)=O,2.2648178230095364,Sodium aristolochate-I
COC1C=CC=CC=1,3700.0,1.0,2.0,0.0,108.13999999999996,7.0,1.0,COC1C=CC=CC=1,3.568201724066995,Anisole
COC1C=CC=CC=1C=O,2500.0,1.0,2.0,0.0,136.14999999999998,8.0,2.0,COC1C=CC=CC=1C=O,3.3979400086720375,2-Methoxybenzaldehyde
COC1C=CC=CC=1N1CCN(CC(O)COC2=CC=CC3C=CC=CC=32)CC1,7500.0,4.0,1.0,0.0,392.4990000000001,24.0,3.0,COC1C=CC=CC=1N1CCN(CC(O)COC2=CC=CC3C=CC=CC=32)CC1,3.8750612633917,Naftopidil
COC1C=CC=CC=1N=NC1C(O)=CC=C2C=CC=CC2=1,7501.0,4.0,2.0,0.0,278.31100000000004,17.0,2.0,COC1C=CC=CC=1N=NC1C(O)=CC=C2C=CC=CC2=1,3.8751191654625683,"2-Naphthalenol, 1-[(2-methoxyphenyl)azo]-"
COC1C=CC=CC=1NC(=O)C1C=C2C=CC=CC2=C(N=NC2C=C(Cl)C=CC=2Cl)C=1O,7500.0,3.0,1.0,1.0,466.3240000000002,24.0,3.0,COC1C=CC=CC=1NC(=O)C1C=C2C=CC=CC2=C(N=NC2C=C(Cl)C=CC=2Cl)C=1O,3.8750612633917,"2-Naphthalenecarboxamide, 4-[(2,5-dichlorophenyl)azo]-3-hydroxy-N-(2-methoxyphenyl)-"
COC1C=CC=CC=1NC(=O)C1C=C2C=CC=CC2=C(N=NC2C=CC(=CC=2)C(N)=O)C=1O,2751.0,4.0,0.0,1.0,440.4590000000002,25.0,4.0,COC1C=CC=CC=1NC(=O)C1C=C2C=CC=CC2=C(N=NC2C=CC(=CC=2)C(N)=O)C=1O,3.4394905903896835,"2-Naphthalenecarboxamide, 4-[[4-(aminocarbonyl)phenyl]azo]-3-hydroxy-N-(2-methoxyphenyl)-"
COC1C=CC=CC=1NC(=O)CC(=O)C1C=CC=CC=1,1600.0,4.0,3.0,0.0,269.29999999999995,16.0,3.0,COC1C=CC=CC=1NC(=O)CC(=O)C1C=CC=CC=1,3.2041199826559246,"Benzenepropanamide, N-(2-methoxyphenyl)-.beta.-oxo-"
COC1C=CC=CC=1NCS(O)(=O)=O,3500.0,4.0,2.0,0.0,217.246,8.0,4.0,COC1C=CC=CC=1NCS(O)(=O)=O,3.5440680443502757,"Methanesulfonic acid, [(2-methoxyphenyl)amino]-"
COC1C=CC=CC=1O,670.0,1.0,2.0,0.0,124.13899999999995,7.0,2.0,COC1C=CC=CC=1O,2.8260748027008264,2-Methoxyphenol
COC1C=CC=CC=1OCCNCC(O)COC1=CC=CC2NC3C=CC=CC=3C=21,8000.0,4.0,0.0,0.0,406.482,24.0,4.0,COC1C=CC=CC=1OCCNCC(O)COC1=CC=CC2NC3C=CC=CC=3C=21,3.9030899869919438,Carvedilol
COC1C=CC=CC=1S,1740.0,2.0,2.0,0.0,140.207,7.0,1.0,COC1C=CC=CC=1S,3.2405492482826,"Benzenethiol, 2-methoxy-"
COC1C=CC=CC=1[N+]([O-])=O,874.0,1.0,2.0,0.0,153.13699999999997,7.0,3.0,COC1C=CC=CC=1[N+]([O-])=O,2.941511432634403,1-Methoxy-2-nitrobenzene
COC1C=COC2(C)OC3=C(C4=C(C(O)=C3C)C(O)=C(NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)C(C=NN1CCN(CC1)C1CCCC1)=C4O)C2=O,4000.0,0.0,0.0,4.0,877.0450000000004,47.0,12.0,COC1C=COC2(C)OC3=C(C4=C(C(O)=C3C)C(O)=C(NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)C(C=NN1CCN(CC1)C1CCCC1)=C4O)C2=O,3.6020599913279625,Rifapentine
COC1C=COC2(C)OC3=C(C4C5N=C6C=C(C)C=CN6C=5C(NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)=C(O)C=4C(O)=C3C)C2=O,3500.0,0.0,0.0,4.0,785.8910000000003,43.0,11.0,COC1C=COC2(C)OC3=C(C4C5N=C6C=C(C)C=CN6C=5C(NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C)=C(O)C=4C(O)=C3C)C2=O,3.5440680443502757,Rifaximin
COC1CC(C[N+](C)(C)C1)=C(C1=CC=CS1)C1=CC=CS1,1213.0,4.0,2.0,0.0,320.50300000000016,17.0,1.0,COC1CC(C[N+](C)(C)C1)=C(C1=CC=CS1)C1=CC=CS1,3.083860800866573,Timepidium
COC1CC(OC(C)C1O)OC1C(C)C(=O)OC(C)C(C)C(O)C(C)C(=O)C2(CO2)CC(C)C(OC2OC(C)CC(C2O)N(C)C)C1C,8350.0,1.0,1.0,3.0,687.8680000000004,35.0,12.0,COC1CC(OC(C)C1O)OC1C(C)C(=O)OC(C)C(C)C(O)C(C)C(=O)C2(CO2)CC(C)C(OC2OC(C)CC(C2O)N(C)C)C1C,3.921686475483602,Oleandomycin phosphate
COC1CC23C(=CCN2CCC2COC(=O)CC3=2)C=C1,510.0,4.0,3.0,0.0,273.332,16.0,3.0,COC1CC23C(=CCN2CCC2COC(=O)CC3=2)C=C1,2.7075701760979363,
COC1CC2CC1C1CC(CC21)C=O,2800.0,4.0,2.0,0.0,194.274,12.0,2.0,COC1CC2CC1C1CC(CC21)C=O,3.4471580313422194,"5-Methoxyoctahydro-1H-4,7-methanoindene-2-carbaldehyde"
COC1CCC=CO1,2575.0,1.0,2.0,0.0,114.144,6.0,2.0,COC1CCC=CO1,3.41077723337721,"2-Methoxy-3,4-dihydro-2H-pyran"
COC1CCCC1,1100.0,1.0,2.0,0.0,100.16100000000002,6.0,1.0,COC1CCCC1,3.041392685158225,"Cyclopentane, methoxy-"
COC1CCCCCCCCCCC1,7500.0,4.0,1.0,0.0,198.3499999999999,13.0,1.0,COC1CCCCCCCCCCC1,3.8750612633917,"Cyclododecane, methoxy-"
COC1CSC2C(NC(=O)C(N)C3CC=CCC=3)C(=O)N2C=1C(O)=O,10001.0,4.0,2.0,0.0,365.4110000000001,16.0,5.0,COC1CSC2C(NC(=O)C(N)C3CC=CCC=3)C(=O)N2C=1C(O)=O,4.000043427276863,Cefroxadine
COC1N/C(/N=C(N=1)C(F)(F)F)=N/C(/O)=N/S(=O)(=O)C1=CC=CC=C1C(F)(F)F,4700.0,4.0,2.0,0.0,445.3010000000001,13.0,4.0,COC1N/C(/N=C(N=1)C(F)(F)F)=N/C(/O)=N/S(=O)(=O)C1=CC=CC=C1C(F)(F)F,3.6720978579357175,Tritosulfuron
COC1N=C(Cl)N=C(N=1)OC,870.0,2.0,2.0,0.0,175.57500000000002,5.0,2.0,COC1N=C(Cl)N=C(N=1)OC,2.9395192526186187,"2-Chloro-4,6-dimethoxy-1,3,5-triazine"
COC1N=C(NC(C)C)N=C(NC(C)C)N=1,1833.0,4.0,1.0,0.0,225.296,10.0,1.0,COC1N=C(NC(C)C)N=C(NC(C)C)N=1,3.2631624649622166,Prometon
COC1N=C(NCC)N=C(NC(C)CC)N=1,1000.0,4.0,1.0,0.0,225.29599999999996,10.0,1.0,COC1N=C(NCC)N=C(NC(C)CC)N=1,3.0,Secbumeton
COC1N=C(NCC)N=C(NCC)N=1,535.0,4.0,1.0,0.0,197.242,8.0,1.0,COC1N=C(NCC)N=C(NCC)N=1,2.7283537820212285,Simetone
COC1N=NC(=O)N1C,3125.0,1.0,2.0,0.0,129.119,4.0,2.0,COC1N=NC(=O)N1C,3.494850021680094,"3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-methoxy-4-methyl-"
COC=C,4900.0,1.0,2.0,0.0,58.08,3.0,1.0,COC=C,3.690196080028514,Methoxyethene
COC=CC=C(C#N)C#N,200.0,1.0,2.0,0.0,134.138,7.0,1.0,COC=CC=C(C#N)C#N,2.3010299956639813,"Propanedinitrile, (3-methoxy-2-propenylidene)-"
COC=O,1214.0,1.0,2.0,0.0,60.05200000000001,2.0,2.0,COC=O,3.0842186867392387,Methyl formate
COCC(=O)N(C1C(C)=CC=CC=1C)N1CCOC1=O,1860.0,4.0,3.0,0.0,278.308,14.0,4.0,COCC(=O)N(C1C(C)=CC=CC=1C)N1CCOC1=O,3.2695129442179165,Oxadixyl
COCC(=O)NC1C=C(C=CC=1N=C(NC(=O)OC)NC(=O)OC)SC1C=CC=CC=1,10001.0,4.0,1.0,0.0,446.48500000000024,20.0,6.0,COCC(=O)NC1C=C(C=CC=1N=C(NC(=O)OC)NC(=O)OC)SC1C=CC=CC=1,4.000043427276863,Febantel
COCC(C)N,1080.0,1.0,2.0,0.0,89.13800000000002,4.0,1.0,COCC(C)N,3.03342375548695,1-Methoxy-2-propylamine
COCC(C)O,4358.0,1.0,2.0,0.0,90.122,4.0,2.0,COCC(C)O,3.6392872259102367,1-Methoxy-2-propanol
COCC(C)OC(C)=O,6919.0,2.0,2.0,0.0,132.159,6.0,3.0,COCC(C)OC(C)=O,3.840043330603494,1-Methoxy-2-propyl acetate
COCC(COP([O-])(=O)OCC[N+](C)(C)C)CSCCCCCCCCCCCCCCCC,253.0,0.0,0.0,2.0,525.7770000000003,26.0,5.0,COCC(COP([O-])(=O)OCC[N+](C)(C)C)CSCCCCCCCCCCCCCCCC,2.403120521175818,Ilmofosine
COCC(O)=O,1114.0,1.0,2.0,0.0,90.078,3.0,3.0,COCC(O)=O,3.04688519083771,"Acetic acid, 2-methoxy-, sodium salt (1:1)"
COCC1=C(F)C(F)=C(COC(=O)C2C(C=CC)C2(C)C)C(F)=C1F,3500.0,4.0,0.0,0.0,360.347,18.0,3.0,COCC1=C(F)C(F)=C(COC(=O)C2C(C=CC)C2(C)C)C(F)=C1F,3.5440680443502757,Metofluthrin
COCC1=CC(OC)=C(O)C=C1,1150.0,4.0,2.0,0.0,168.19199999999998,9.0,3.0,COCC1=CC(OC)=C(O)C=C1,3.060697840353612,2-Methoxy-4-(methoxymethyl)phenol
COCC1C=CC(=CC=1)C1C=CC(COC)=CC=1,1366.0,4.0,1.0,0.0,242.318,16.0,2.0,COCC1C=CC(=CC=1)C1C=CC(COC)=CC=1,3.1354506993455136,"4,4'-Bis(methoxymethyl)-1,1'-biphenyl"
COCC=O,2330.0,1.0,2.0,0.0,74.07900000000001,3.0,2.0,COCC=O,3.367355921026019,2-Methoxyacetaldehyde
COCCC#N,4390.0,1.0,2.0,0.0,85.10600000000001,4.0,1.0,COCCC#N,3.6424645202421213,3-Methoxypropionitrile
COCCC(=O)N(C)C,3500.0,2.0,2.0,0.0,131.175,6.0,2.0,COCCC(=O)N(C)C,3.5440680443502757,"Propanamide, 3-methoxy-N,N-dimethyl-"
COCCC(=O)OC,4200.0,1.0,2.0,0.0,118.132,5.0,3.0,COCCC(=O)OC,3.6232492903979003,Methyl 3-methoxypropionate
COCCC1C=CC=CC=1,4100.0,3.0,2.0,0.0,136.194,9.0,1.0,COCCC1C=CC=CC=1,3.6127838567197355,(2-Methoxyethyl)benzene
COCCCN,750.0,1.0,2.0,0.0,89.13800000000002,4.0,1.0,COCCCN,2.8750612633917,3-Methoxypropylamine
COCCCNC1N=C(N=C(NC(C)C)N=1)SC,7500.0,4.0,2.0,0.0,271.39,11.0,1.0,COCCCNC1N=C(N=C(NC(C)C)N=1)SC,3.8750612633917,Methoprotryne
COCCNC(=O)C1C=C(C=CN=1)C(=O)NCCOC,7500.0,4.0,2.0,0.0,281.31199999999995,13.0,4.0,COCCNC(=O)C1C=C(C=CN=1)C(=O)NCCOC,3.8750612633917,Lufironil
COCCNC(=O)CSP(=S)(OC)OC,420.0,4.0,2.0,0.0,273.31600000000003,7.0,4.0,COCCNC(=O)CSP(=S)(OC)OC,2.6232492903979003,Amidithion
COCCO,2855.0,1.0,2.0,0.0,76.095,3.0,2.0,COCCO,3.455606112581867,Methoxyethanol sodium salt
COCCOC,5370.0,1.0,2.0,0.0,90.122,4.0,2.0,COCCOC,3.7299742856995555,Ethylene glycol dimethyl ether
COCCOC(=O)C(=C)C#N,6251.0,2.0,2.0,0.0,155.153,7.0,3.0,COCCOC(=O)C(=C)C#N,3.7959494989028033,"2-Propenoic acid, 2-cyano-, 2-methoxyethyl ester"
COCCOC(=O)C1C(C(C(=O)OCC=CC2C=CC=CC=2)=C(C)N=C1C)C1C=C(C=CC=1)[N+]([O-])=O,4412.0,2.0,0.0,0.0,492.52800000000013,27.0,7.0,COCCOC(=O)C1C(C(C(=O)OCC=CC2C=CC=CC=2)=C(C)N=C1C)C1C=C(C=CC=1)[N+]([O-])=O,3.644635503768153,Cilnidipine
COCCOC(=O)C1C=CC=CC=1C(=O)OCCOC,4400.0,4.0,2.0,0.0,282.292,14.0,6.0,COCCOC(=O)C1C=CC=CC=1C(=O)OCCOC,3.6434526764861874,Di(2-methoxyethyl) phthalate
COCCOC(=O)C=C,560.0,1.0,2.0,0.0,130.14299999999997,6.0,3.0,COCCOC(=O)C=C,2.7481880270062002,2-Methoxyethyl acrylate
COCCOC(=O)CC#N,4498.0,1.0,2.0,0.0,143.142,6.0,3.0,COCCOC(=O)CC#N,3.6530194510996132,2-Methoxyethyl cyanoacetate
COCCOC(=O)CCCCCCCCC(=O)OCCOC,4970.0,4.0,2.0,0.0,318.41,16.0,6.0,COCCOC(=O)CCCCCCCCC(=O)OCCOC,3.696356388733332,"Decanedioic acid, bis(2-methoxyethyl) ester"
COCCOC(C)=O,2488.0,1.0,2.0,0.0,118.132,5.0,3.0,COCCOC(C)=O,3.3958503760187813,2-Methoxyethyl acetate
COCCOC(N)=O,10001.0,1.0,2.0,0.0,119.12,4.0,3.0,COCCOC(N)=O,4.000043427276863,2-Methoxyethyl carbamate
COCCOC1=CC(=CC=C1)S(=O)(=O)NC1N=CC=CN=1,2850.0,4.0,2.0,0.0,309.347,13.0,4.0,COCCOC1=CC(=CC=C1)S(=O)(=O)NC1N=CC=CN=1,3.45484486000851,Glymidine sodium
COCCOC1=CC=CC=C1S(=O)(=O)/N=C(O)/N=C1N=C(NC(=N1)OC)OC,10001.0,4.0,1.0,0.0,413.41200000000015,15.0,7.0,COCCOC1=CC=CC=C1S(=O)(=O)/N=C(O)/N=C1N=C(NC(=N1)OC)OC,4.000043427276863,Cinosulfuron
COCCOC1=CN=C(NS(=O)(=O)C2C=CC=CC=2)N=C1,3100.0,4.0,2.0,0.0,309.34700000000004,13.0,4.0,COCCOC1=CN=C(NS(=O)(=O)C2C=CC=CC=2)N=C1,3.4913616938342726,Glycodiazine
COCCOC1C(=CC(CC2=CN=C(N)N=C2N)=CC=1OC)OC,1172.0,4.0,2.0,0.0,334.3760000000001,16.0,4.0,COCCOC1C(=CC(CC2=CN=C(N)N=C2N)=CC=1OC)OC,3.068927611682072,Tetroxoprim
COCCOC1C=C(NC(=O)C(=O)OCC)N=CN=1,1600.0,4.0,2.0,0.0,269.25699999999995,11.0,5.0,COCCOC1C=C(NC(=O)C(=O)OCC)N=CN=1,3.2041199826559246,"Acetic acid, ((6-(2-methoxyethoxy)-4-pyrimidinyl)amino)oxo-, ethyl ester"
COCCOCC1C=CC=CC=1,2290.0,4.0,2.0,0.0,166.22,10.0,2.0,COCCOCC1C=CC=CC=1,3.359835482339888,"Benzene, ((2-methoxyethoxy)methyl)-"
COCCOCCCN1C(=O)C2=C(N)C3C(=O)C4=CC=CC=C4C(=O)C=3C(N)=C2C1=O,1250.0,4.0,1.0,0.0,423.4250000000002,22.0,6.0,COCCOCCCN1C(=O)C2=C(N)C3C(=O)C4=CC=CC=C4C(=O)C=3C(N)=C2C1=O,3.0969100130080562,"1H-Naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone, 4,11-diamino-2-[3-(2-methoxyethoxy)propyl]-"
COCCOCCO,6924.0,2.0,2.0,0.0,120.148,5.0,3.0,COCCOCCO,3.8403570592033565,Diethylene glycol monomethyl ether
COCCOCCOC,5080.0,2.0,1.0,0.0,134.175,6.0,3.0,COCCOCCOC,3.7058637122839193,Bis(2-methoxyethyl) ether
COCCOCCOC1C=C(NC2C(C)=C(C(C)=CC=2C)S(O)(=O)=O)C2=C(C=1N)C(=O)C1=CC=CC=C1C2=O,1100.0,2.0,0.0,1.0,554.6210000000003,28.0,8.0,COCCOCCOC1C=C(NC2C(C)=C(C(C)=CC=2C)S(O)(=O)=O)C2=C(C=1N)C(=O)C1=CC=CC=C1C2=O,3.041392685158225,"Benzenesulfonic acid, 3-[[4-amino-9,10-dihydro-3-[2-(2-methoxyethoxy)ethoxy]-9,10-dioxo-1-anthracenyl]amino]-2,4,6-trimethyl-, monosodium salt"
COCCOCCOCC,3500.0,2.0,1.0,0.0,148.202,7.0,3.0,COCCOCCOCC,3.5440680443502757,"Ethane, 1-ethoxy-2-(2-methoxyethoxy)-"
COCCOCCOCC(O)=O,3500.0,4.0,1.0,0.0,178.184,7.0,5.0,COCCOCCOCC(O)=O,3.5440680443502757,"Acetic acid, [2-(2-methoxyethoxy)ethoxy]-"
COCCOCCOCCO,10001.0,4.0,1.0,0.0,164.201,7.0,4.0,COCCOCCOCCO,4.000043427276863,2-[2-(2-Methoxyethoxy)ethoxy]ethanol
COCCOCCOCCOC,5631.0,4.0,1.0,0.0,178.22799999999998,8.0,4.0,COCCOCCOCCOC,3.7505855273410087,Triethylene glycol dimethyl ether
COCCOCCOCCOC(C)=O,10001.0,4.0,1.0,0.0,206.23799999999997,9.0,5.0,COCCOCCOCCOC(C)=O,4.000043427276863,CERAPP_30924
COCCOCCOCCOCCOC,4172.0,4.0,1.0,0.0,222.28099999999995,10.0,5.0,COCCOCCOCCOCCOC,3.6203442997544935,"2,5,8,11,14-Pentaoxapentadecane"
COCCOCOCCOC,6251.0,4.0,1.0,0.0,164.201,7.0,4.0,COCCOCOCCOC,3.7959494989028033,"2,5,7,10-Tetraoxaundecane"
COCCO[Si](C=C)(OCCOC)OCCOC,3157.0,4.0,2.0,0.0,280.3929999999999,11.0,6.0,COCCO[Si](C=C)(OCCOC)OCCOC,3.4992745818922173,Tris(2-methoxyethoxy)vinylsilane
COCCO[Si](CCCl)(OCCOC)OCCOC,878.0,4.0,2.0,0.0,316.8540000000001,11.0,6.0,COCCO[Si](CCCl)(OCCOC)OCCOC,2.9434945159061026,"2,5,7,10-Tetraoxa-6-silaundecane, 6-(2-chloroethyl)-6-(2-methoxyethoxy)-"
COCCl,500.0,1.0,2.0,0.0,80.51400000000001,2.0,1.0,COCCl,2.6989700043360187,Chloromethyl methyl ether
COCN(C(=O)CCl)C1C(CC)=CC=CC=1CC,930.0,4.0,2.0,0.0,269.77199999999993,14.0,2.0,COCN(C(=O)CCl)C1C(CC)=CC=CC=1CC,2.9684829485539352,Alachlor
COCNC(=O)CSP(=S)(OC)OC,600.0,4.0,2.0,0.0,259.289,6.0,4.0,COCNC(=O)CSP(=S)(OC)OC,2.7781512503836434,Sophamide
COCOC,6423.0,1.0,2.0,0.0,76.095,3.0,2.0,COCOC,3.8077379220141006,Dimethoxymethane
COCOC1CCCCCCCCCCC1,7500.0,4.0,1.0,0.0,228.3759999999999,14.0,2.0,COCOC1CCCCCCCCCCC1,3.8750612633917,"Cyclododecane, (methoxymethoxy)-"
CON(C(=O)OC)C1C=CC=CC=1COC1C=CN(N=1)C1C=CC(Cl)=CC=1,7500.0,4.0,0.0,0.0,387.823,19.0,4.0,CON(C(=O)OC)C1C=CC=CC=1COC1C=CN(N=1)C1C=CC(Cl)=CC=1,3.8750612633917,Pyraclostrobin
CON(C)C(=O)NC1C=C(Cl)C(Cl)=CC=1,1234.5,4.0,2.0,0.0,249.097,9.0,2.0,CON(C)C(=O)NC1C=C(Cl)C(Cl)=CC=1,3.091491094267951,Linuron
CON(C)C(=O)NC1C=CC(Br)=C(Cl)C=1,2150.0,4.0,3.0,0.0,293.548,9.0,2.0,CON(C)C(=O)NC1C=CC(Br)=C(Cl)C=1,3.3324384599156054,Chlorbromuron
CON(C)C(=O)NC1C=CC(Br)=CC=1,2700.0,4.0,3.0,0.0,259.10299999999995,9.0,2.0,CON(C)C(=O)NC1C=CC(Br)=CC=1,3.4313637641589874,Metobromuron
CON(C)C(=O)NC1C=CC(Cl)=CC=1,1880.0,4.0,2.0,0.0,214.652,9.0,2.0,CON(C)C(=O)NC1C=CC(Cl)=CC=1,3.27415784926368,Monolinuron
CON(C1CCCCC1)C(=O)C1C=C(C)OC=1C,3780.0,4.0,3.0,0.0,251.3259999999999,14.0,3.0,CON(C1CCCCC1)C(=O)C1C=C(C)OC=1C,3.5774917998372255,Furmecyclox
CON=C(C(=O)NC)C1=CC=CC=C1COC1C=C(C)C=CC=1C,7500.0,4.0,2.0,0.0,326.3960000000001,19.0,3.0,CON=C(C(=O)NC)C1=CC=CC=C1COC1C=C(C)C=CC=1C,3.8750612633917,Dimoxystrobin
CON=C(C1=CC=CO1)C(=O)NC1C2SCC(COC(N)=O)=C(C(O)=O)N2C1=O,10000.0,3.0,1.0,0.0,424.39100000000013,16.0,8.0,CON=C(C1=CC=CO1)C(=O)NC1C2SCC(COC(N)=O)=C(C(O)=O)N2C1=O,4.0,Cefuroxime
CON=C(C1=CSC(N)=N1)C(=O)NC1C2SCC(CSC3=CN=NS3)=C(C(O)=O)N2C1=O,10000.0,3.0,1.0,3.0,513.6080000000001,16.0,5.0,CON=C(C1=CSC(N)=N1)C(=O)NC1C2SCC(CSC3=CN=NS3)=C(C(O)=O)N2C1=O,4.0,Cefuzonam hydrochloride
CON=C(C1=CSC(N)=N1)C(=O)NC1C2SCC(C[N+]3=CC=CC4CCCC3=4)=C(C([O-])=O)N2C1=O,8000.0,2.0,1.0,1.0,514.5890000000003,22.0,5.0,CON=C(C1=CSC(N)=N1)C(=O)NC1C2SCC(C[N+]3=CC=CC4CCCC3=4)=C(C([O-])=O)N2C1=O,3.9030899869919438,Cefpirome sulfate
CON=C(C1=CSC(N)=N1)C(=O)NC1C2SCC=C(C(O)=O)N2C1=O,10000.0,3.0,2.0,0.0,383.41100000000006,13.0,5.0,CON=C(C1=CSC(N)=N1)C(=O)NC1C2SCC=C(C(O)=O)N2C1=O,4.0,Ceftizoxime sodium
CON=C(C1=NOCCO1)C1C=CC=CC=1OC1N=CN=C(OC2C=CC=CC=2Cl)C=1F,3500.0,4.0,0.0,0.0,458.8330000000001,21.0,5.0,CON=C(C1=NOCCO1)C1C=CC=CC=1OC1N=CN=C(OC2C=CC=CC=2Cl)C=1F,3.5440680443502757,Fluoxastrobin
CON=C(CC1C=NC=CC=1)C1C=CC(Cl)=CC=1Cl,1705.0,4.0,2.0,0.0,295.169,14.0,1.0,CON=C(CC1C=NC=CC=1)C1C=CC(Cl)=CC=1Cl,3.2317243833285163,Pyrifenox
CON=CC1CN(CCC=1)OC(=O)NC1=CC=C(Cl)C=C1,500.0,4.0,3.0,0.0,309.75300000000004,14.0,3.0,CON=CC1CN(CCC=1)OC(=O)NC1=CC=C(Cl)C=C1,2.6989700043360187,
COP(=O)(/N=C(O)/C(Cl)Cl)SC,500.0,4.0,3.0,0.0,252.059,4.0,3.0,COP(=O)(/N=C(O)/C(Cl)Cl)SC,2.6989700043360187,
COP(=O)(C=C)OC,724.0,1.0,2.0,0.0,136.087,4.0,3.0,COP(=O)(C=C)OC,2.859738566197147,Dimethyl vinylphosphonate
COP(=O)(CC)OC1C=CC(=CC=1)C#N,0.78,4.0,2.0,0.0,225.184,10.0,3.0,COP(=O)(CC)OC1C=CC(=CC=1)C#N,-0.10790539730951958,
COP(=O)(CC)OCC,1000.0,2.0,2.0,0.0,152.13,5.0,3.0,COP(=O)(CC)OCC,3.0,
COP(=O)(CCC(=O)NCO)OC,8063.0,4.0,1.0,0.0,211.154,6.0,5.0,COP(=O)(CCC(=O)NCO)OC,3.906496659799353,Dimethyl N-methylolphosphonopropionamide
COP(=O)(NC(C)=O)SC,837.0,4.0,2.0,0.0,183.169,4.0,3.0,COP(=O)(NC(C)=O)SC,2.92272545799326,Acephate
COP(=O)(NC)OC1=CC=C(C=C1Cl)C(C)(C)C,592.0,4.0,2.0,0.0,291.71500000000003,12.0,3.0,COP(=O)(NC)OC1=CC=C(C=C1Cl)C(C)(C)C,2.77232170672292,Crufomate
COP(=O)(OC(=C)P(=O)(OC)OC)OC,287.0,4.0,2.0,0.0,260.11899999999997,6.0,7.0,COP(=O)(OC(=C)P(=O)(OC)OC)OC,2.4578818967339924,1-(Dimethyoxyphosphinyl)vinyl dimethyl phosphate
COP(=O)(OC(=CCl)C1C=C(Cl)C(Cl)=CC=1Cl)OC,4000.0,3.0,1.0,1.0,365.96400000000006,10.0,4.0,COP(=O)(OC(=CCl)C1C=C(Cl)C(Cl)=CC=1Cl)OC,3.6020599913279625,Tetrachlorovinphos
COP(=O)(OC(=CCl)C1C=CC(Cl)=CC=1Cl)OC,97.5,4.0,2.0,0.0,331.519,10.0,4.0,COP(=O)(OC(=CCl)C1C=CC(Cl)=CC=1Cl)OC,1.9890046156985368,Dimethylvinphos
COP(=O)(OC(Br)C(Br)(Br)Br)OC,184.0,4.0,1.0,0.0,469.686,4.0,4.0,COP(=O)(OC(Br)C(Br)(Br)Br)OC,2.2648178230095364,
COP(=O)(OC(Br)C(Cl)(Cl)Br)OC,265.5,4.0,1.0,0.0,380.784,4.0,4.0,COP(=O)(OC(Br)C(Cl)(Cl)Br)OC,2.4240645254174877,Naled
COP(=O)(OC(C1C=CC(Cl)=CC=1)P(=O)(OC)OC)OC,3200.0,4.0,0.0,0.0,358.6510000000001,11.0,7.0,COP(=O)(OC(C1C=CC(Cl)=CC=1)P(=O)(OC)OC)OC,3.505149978319906,Mifobate
COP(=O)(OC(C1C=CC(Cl)=CC=1Cl)=C(Cl)Cl)OC,109.0,4.0,1.0,1.0,365.96400000000006,10.0,4.0,COP(=O)(OC(C1C=CC(Cl)=CC=1Cl)=C(Cl)Cl)OC,2.037426497940624,
COP(=O)(OC(Cl)C(Cl)(Cl)Cl)OC,14.0,4.0,3.0,0.0,291.88199999999995,4.0,4.0,COP(=O)(OC(Cl)C(Cl)(Cl)Cl)OC,1.146128035678238,
COP(=O)(OC)C(=C)OP(=O)(OCC)OCC,173.0,4.0,2.0,0.0,288.173,8.0,7.0,COP(=O)(OC)C(=C)OP(=O)(OCC)OCC,2.2380461031287955,"Phosphonic acid, 1-(hydroxyvinyl)-, dimethyl ester, diethyl phosphate"
COP(=O)(OC)C(O)C(Cl)(Cl)Cl,278.0,4.0,3.0,0.0,257.437,4.0,4.0,COP(=O)(OC)C(O)C(Cl)(Cl)Cl,2.444044795918076,Trichlorfon
COP(=O)(OC)C1C=CC=CC=1,450.0,4.0,2.0,0.0,186.147,8.0,3.0,COP(=O)(OC)C1C=CC=CC=1,2.6532125137753435,"Phosphonic acid, phenyl-, O,O-dimethyl ester"
COP(=O)(OC)N1CCOCC1,5910.0,4.0,2.0,0.0,195.15499999999992,6.0,4.0,COP(=O)(OC)N1CCOCC1,3.7715874808812555,Dimethyl morpholinophosphoramidate
COP(=O)(OC)OC,840.0,1.0,2.0,0.0,140.075,3.0,4.0,COP(=O)(OC)OC,2.9242792860618816,Trimethyl phosphate
COP(=O)(OC)SCN1C(=O)C2C=CC=CC=2C1=O,50.0,4.0,3.0,0.0,301.26000000000005,11.0,5.0,COP(=O)(OC)SCN1C(=O)C2C=CC=CC=2C1=O,1.6989700043360187,Phosmetoxon
COP(=O)(OC)SCN1C2=NC=C(Cl)C=C2OC1=O,1180.0,4.0,3.0,0.0,324.682,9.0,5.0,COP(=O)(OC)SCN1C2=NC=C(Cl)C=C2OC1=O,3.0718820073061255,Azamethiphos
COP(=O)(OC1=NC(Cl)=C(Cl)C=C1Cl)OC,869.0,4.0,2.0,0.0,306.46900000000005,7.0,4.0,COP(=O)(OC1=NC(Cl)=C(Cl)C=C1Cl)OC,2.9390197764486663,Fospirate
COP(=O)(OC1C2CC=CC2C=1Cl)OC,101.25,4.0,3.0,0.0,250.618,9.0,4.0,COP(=O)(OC1C2CC=CC2C=1Cl)OC,2.005395031886706,Heptenophos
COP(=O)(OC1C=C(Cl)C(Br)=CC=1Cl)C1C=CC=CC=1,118.0,4.0,1.0,1.0,396.0040000000001,13.0,3.0,COP(=O)(OC1C=C(Cl)C(Br)=CC=1Cl)C1C=CC=CC=1,2.0718820073061255,
COP(=O)(OC1C=CC(=CC=1)[N+]([O-])=O)OC,3.27,4.0,2.0,0.0,247.143,8.0,6.0,COP(=O)(OC1C=CC(=CC=1)[N+]([O-])=O)OC,0.5145477526602861,Methylparaoxon
COP(=O)(OC1CCCCC1)SC1=CC=C(Cl)C=C1,160.0,4.0,2.0,1.0,320.778,13.0,3.0,COP(=O)(OC1CCCCC1)SC1=CC=C(Cl)C=C1,2.2041199826559246,
COP(=O)(OC=C(Br)Br)OC,253.0,3.0,3.0,0.0,309.878,4.0,4.0,COP(=O)(OC=C(Br)Br)OC,2.403120521175818,"Phosphoric acid, 2,2-dibromovinyl dimethyl ester"
COP(=O)(OC=C(Cl)Cl)OC,63.0,3.0,2.0,0.0,220.976,4.0,4.0,COP(=O)(OC=C(Cl)Cl)OC,1.7993405494535817,Dichlorvos
COP(=O)(SCCC)SCCC,6.8,4.0,0.0,0.0,228.31899999999996,7.0,2.0,COP(=O)(SCCC)SCCC,0.8325089127062363,"Phosphorodithioic acid, O-methyl S,S-dipropyl ester"
COP(=O)OC,3160.0,1.0,2.0,0.0,110.049,2.0,3.0,COP(=O)OC,3.499687082618404,Dimethyl hydrogen phosphite
COP(=S)(CC)OC1=CC=C(C=C1Cl)[N+]([O-])=O,23.0,4.0,2.0,0.0,295.68399999999997,9.0,4.0,COP(=S)(CC)OC1=CC=C(C=C1Cl)[N+]([O-])=O,1.3617278360175928,
COP(=S)(Cl)OC,540.0,1.0,2.0,0.0,160.56199999999998,2.0,2.0,COP(=S)(Cl)OC,2.7323937598229686,"O,O-Dimethyl chlorothiophosphate"
COP(=S)(N=C1SCCS1)OC,10.0,4.0,2.0,0.0,243.31499999999997,5.0,2.0,COP(=S)(N=C1SCCS1)OC,1.0,
COP(=S)(NC(C)C)OC1C=CC(Cl)=CC=1Cl,270.0,4.0,1.0,0.0,314.174,10.0,2.0,COP(=S)(NC(C)C)OC1C=CC(Cl)=CC=1Cl,2.4313637641589874,Zytron
COP(=S)(NCC)OC1C=C(Cl)C(Cl)=CC=1Cl,450.0,4.0,2.0,0.0,334.592,9.0,2.0,COP(=S)(NCC)OC1C=C(Cl)C(Cl)=CC=1Cl,2.6532125137753435,
COP(=S)(OC)C1C=CC=CC=1,450.0,4.0,2.0,0.0,202.215,8.0,2.0,COP(=S)(OC)C1C=CC=CC=1,2.6532125137753435,"Phosphonothioic acid, phenyl-, O,O-dimethyl ester"
COP(=S)(OC)OC,562.0,1.0,2.0,0.0,156.14299999999997,3.0,3.0,COP(=S)(OC)OC,2.749736315569061,"O,O,O-Trimethyl phosphorothioate"
COP(=S)(OC)SC1C=CC(CSP(=S)(OC)OC)=CC=1,265.0,4.0,0.0,1.0,404.4770000000001,11.0,4.0,COP(=S)(OC)SC1C=CC(CSP(=S)(OC)OC)=CC=1,2.423245873936808,"S-{4-[(Dimethoxyphosphorothioyl)sulfanyl]benzyl} O,O-dimethyl phosphorodithioate"
COP(=S)(OC)SC1CCSC2=CC=CC=C21,5.0,4.0,2.0,0.0,306.414,11.0,2.0,COP(=S)(OC)SC1CCSC2=CC=CC=C21,0.6989700043360189,
COP(=S)(OC)SC1OCCOC1SP(=S)(OC)OC,350.0,4.0,1.0,0.0,400.44200000000006,8.0,6.0,COP(=S)(OC)SC1OCCOC1SP(=S)(OC)OC,2.5440680443502757,
COP(=S)(OC)SCC(=O)N1CCOCC1,190.0,4.0,3.0,0.0,285.32700000000006,8.0,4.0,COP(=S)(OC)SCC(=O)N1CCOCC1,2.278753600952829,Morphothion
COP(=S)(OC)SCC1N=C(N)N=C(N)N=1,1420.0,4.0,2.0,0.0,281.303,6.0,2.0,COP(=S)(OC)SCC1N=C(N)N=C(N)N=1,3.1522883443830563,Menazon
COP(=S)(OC)SCN1C(=O)C2C=CC=CC=2C1=O,76.0,4.0,3.0,0.0,317.32800000000003,11.0,4.0,COP(=S)(OC)SCN1C(=O)C2C=CC=CC=2C1=O,1.8808135922807914,Phosmet
COP(=S)(OC)SCN1N=C(C=CC1=O)C1C=CC=CC=1,10001.0,4.0,2.0,0.0,342.38200000000006,13.0,3.0,COP(=S)(OC)SCN1N=C(C=CC1=O)C1C=CC=CC=1,4.000043427276863,"Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 2-(mercaptomethyl)-6-phenyl-3(2H)-pyridazinone"
COP(=S)(OC)SCN1N=CC=CC1=O,3.5,4.0,3.0,0.0,266.284,7.0,3.0,COP(=S)(OC)SCN1N=CC=CC1=O,0.5440680443502757,"Phosphorodithioic acid, O,O-dimethyl ester, S-ester with 2-(mercaptomethyl)-3(2H)-pyridazinone"
COP(=S)(OC)SCN1N=NC2C=CC=CC=2C1=O,8.0,4.0,3.0,0.0,317.33200000000005,10.0,3.0,COP(=S)(OC)SCN1N=NC2C=CC=CC=2C1=O,0.9030899869919435,Azinphos-methyl
COP(=S)(OC)SCSC1=CC(Cl)=C(Cl)C=C1,220.0,4.0,1.0,1.0,349.2660000000001,9.0,2.0,COP(=S)(OC)SCSC1=CC(Cl)=C(Cl)C=C1,2.342422680822206,"Phosphorodithioic acid, S-((3,4-dichlorophenylthio)methyl) O,O-dimethyl ester"
COP(=S)(OC)SCSC1=CC(Cl)=CC=C1Cl,220.0,4.0,1.0,1.0,349.2660000000001,9.0,2.0,COP(=S)(OC)SCSC1=CC(Cl)=CC=C1Cl,2.342422680822206,Methyl phenkapton
COP(=S)(OC)SCSC1C=CC(Cl)=CC=1,48.0,4.0,1.0,0.0,314.821,9.0,2.0,COP(=S)(OC)SCSC1C=CC(Cl)=CC=1,1.6812412373755872,Methyl trithion
COP(=S)(OC)SCSCC=C(Cl)Cl,85.0,4.0,1.0,0.0,313.23299999999995,6.0,2.0,COP(=S)(OC)SCSCC=C(Cl)Cl,1.9294189257142926,
COP(=S)(OC)SCSCCOC(N)=O,44.0,4.0,2.0,0.0,291.356,6.0,4.0,COP(=S)(OC)SCSCCOC(N)=O,1.6434526764861874,ENT 25868
COP(=S)(OC)SSP(=S)(OC)OC,10000.0,4.0,2.0,0.0,314.3520000000001,4.0,4.0,COP(=S)(OC)SSP(=S)(OC)OC,4.0,"Thioperoxydiphosphoric acid ([(HO)2P(S)]2S2), tetramethyl ester"
COP(=S)(OC1=CC(=C(Cl)C=C1)[N+]([O-])=O)OC,500.0,4.0,3.0,0.0,297.656,8.0,5.0,COP(=S)(OC1=CC(=C(Cl)C=C1)[N+]([O-])=O)OC,2.6989700043360187,Phosnichlor
COP(=S)(OC1=CC(Cl)=C(Br)C=C1Cl)C1C=CC=CC=1,32.0,4.0,1.0,1.0,412.07200000000006,13.0,2.0,COP(=S)(OC1=CC(Cl)=C(Br)C=C1Cl)C1C=CC=CC=1,1.505149978319906,Leptophos
COP(=S)(OC1=CC(Cl)=C(I)C=C1Cl)OC,2330.0,4.0,1.0,0.0,413.0,8.0,3.0,COP(=S)(OC1=CC(Cl)=C(I)C=C1Cl)OC,3.367355921026019,Iodenphos
COP(=S)(OC1=CC=C(C=C1Cl)[N+]([O-])=O)OC,340.0,4.0,3.0,0.0,297.65599999999995,8.0,5.0,COP(=S)(OC1=CC=C(C=C1Cl)[N+]([O-])=O)OC,2.531478917042255,Dicapthon
COP(=S)(OC1=NC(Cl)=C(Cl)C=C1Cl)OC,1746.0,4.0,2.0,0.0,322.53700000000003,7.0,3.0,COP(=S)(OC1=NC(Cl)=C(Cl)C=C1Cl)OC,3.2420442393695508,Chlorpyrifos-methyl
COP(=S)(OC1C=C(Cl)C(=CC=1)[N+]([O-])=O)OC,285.0,4.0,3.0,0.0,297.65599999999995,8.0,5.0,COP(=S)(OC1C=C(Cl)C(=CC=1)[N+]([O-])=O)OC,2.45484486000851,Chlorthion
COP(=S)(OC1C=C(Cl)C(Br)=CC=1Cl)OC,2487.0,4.0,1.0,0.0,366.0,8.0,3.0,COP(=S)(OC1C=C(Cl)C(Br)=CC=1Cl)OC,3.395675785269936,Bromofos
COP(=S)(OC1C=C(Cl)C(Cl)=CC=1Cl)OC,1094.0,4.0,2.0,0.0,321.549,8.0,3.0,COP(=S)(OC1C=C(Cl)C(Cl)=CC=1Cl)OC,3.039017321997412,Fenchlorphos
COP(=S)(OC1C=C(N=C(CC)N=1)OCC)OC,1750.0,4.0,2.0,0.0,292.297,10.0,4.0,COP(=S)(OC1C=C(N=C(CC)N=1)OCC)OC,3.2430380486862944,Etrimfos
COP(=S)(OC1C=CC(=CC=1)C#N)OC,610.0,4.0,2.0,0.0,243.224,9.0,3.0,COP(=S)(OC1C=CC(=CC=1)C#N)OC,2.785329835010767,Cyanophos
COP(=S)(OC1C=CC(=CC=1)N=NC1C=CC(Cl)=CC=1)OC,1500.0,3.0,0.0,1.0,356.7710000000001,14.0,3.0,COP(=S)(OC1C=CC(=CC=1)N=NC1C=CC(Cl)=CC=1)OC,3.1760912590556813,Azothoate
COP(=S)(OC1C=CC(=CC=1)S(N)(=O)=O)OC,160.0,4.0,2.0,0.0,297.294,8.0,5.0,COP(=S)(OC1C=CC(=CC=1)S(N)(=O)=O)OC,2.2041199826559246,Cythioate
COP(=S)(OC1C=CC(=CC=1)SC1C=CC(=CC=1)OP(=S)(OC)OC)OC,2761.0,3.0,0.0,1.0,466.47900000000016,16.0,6.0,COP(=S)(OC1C=CC(=CC=1)SC1C=CC(=CC=1)OP(=S)(OC)OC)OC,3.4410664066392633,Temephos
COP(=S)(OC1C=CC(=CC=1)[N+]([O-])=O)OC,16.0,4.0,3.0,0.0,263.21099999999996,8.0,5.0,COP(=S)(OC1C=CC(=CC=1)[N+]([O-])=O)OC,1.2041199826559248,Methyl parathion
COP(=S)(OC1C=CC(=CC=1)[N+]([O-])=O)OC1C=CC(=CC=1)[N+]([O-])=O,312.0,4.0,0.0,0.0,370.2790000000001,13.0,7.0,COP(=S)(OC1C=CC(=CC=1)[N+]([O-])=O)OC1C=CC(=CC=1)[N+]([O-])=O,2.494154594018443,"Phosphorothioic acid, O,O-bis(p-nitrophenyl) O-methyl ester"
COP(=S)(OC1C=NC2=CC=CC=C2N=1)OC,900.0,4.0,3.0,0.0,270.25,10.0,3.0,COP(=S)(OC1C=NC2=CC=CC=C2N=1)OC,2.9542425094393248,Quinalphos-methyl
COP(C)(=O)SC,3.3,1.0,2.0,0.0,140.14399999999998,3.0,2.0,COP(C)(=O)SC,0.5185139398778874,
COP(C)(=S)SCC(=O)N(C)C(=O)OC,57.0,4.0,2.0,0.0,271.3,7.0,4.0,COP(C)(=S)SCC(=O)N(C)C(=O)OC,1.7558748556724915,Mecarphon
COP(C)(=S)SCSC1C=CC(Cl)=CC=1,31.0,4.0,2.0,0.0,298.822,9.0,1.0,COP(C)(=S)SCSC1C=CC(Cl)=CC=1,1.4913616938342726,
COP(N)(=O)SC,14.5,1.0,2.0,0.0,141.132,2.0,2.0,COP(N)(=O)SC,1.1613680022349748,Methamidophos
COP(N)(=S)OC,410.0,1.0,2.0,0.0,141.132,2.0,2.0,COP(N)(=S)OC,2.6127838567197355,"O,O-Dimethyl phosphoramidothioate"
COP(N)(=S)OC1C=CC=CC=1C(=O)OC(C)C,50.0,4.0,2.0,0.0,289.29300000000006,11.0,4.0,COP(N)(=S)OC1C=CC=CC=1C(=O)OC(C)C,1.6989700043360187,Isocarbophos
COP(O)(O)=O,3500.0,1.0,2.0,0.0,112.02099999999996,1.0,4.0,COP(O)(O)=O,3.5440680443502757,Monomethyl phosphate
COP(OC)OC,2572.5,1.0,2.0,0.0,124.07599999999998,3.0,3.0,COP(OC)OC,3.4103553834344704,Trimethyl phosphite
COP(S)(=S)OC,3372.0,1.0,2.0,0.0,158.184,2.0,2.0,COP(S)(=S)OC,3.527887565952705,"Ammonium O,O-dimethyl dithiophosphate"
COP1(=S)OCC2=CC=CC=C2O1,102.0,4.0,2.0,0.0,216.198,8.0,3.0,COP1(=S)OCC2=CC=CC=C2O1,2.0086001717619175,Dioxabenzofos
COS(=O)(=O)C1C=CC=CC=1,740.0,3.0,2.0,0.0,172.205,7.0,3.0,COS(=O)(=O)C1C=CC=CC=1,2.8692317197309762,Methyl benzenesulphonate
COS(=O)(=O)OC,205.0,0.0,2.0,0.0,126.13299999999998,2.0,4.0,COS(=O)(=O)OC,2.311753861055754,Dimethyl sulfate
COS(C)(=O)=O,225.0,0.0,2.0,0.0,110.134,2.0,3.0,COS(C)(=O)=O,2.3521825181113627,Methyl methanesulfonate
COS(O)(=O)=O,3500.0,0.0,2.0,0.0,112.10599999999998,1.0,4.0,COS(O)(=O)=O,3.5440680443502757,Methyl hydrogen sulfate
CO[SiH](OC)OC,6453.0,1.0,2.0,0.0,122.19599999999998,3.0,3.0,CO[SiH](OC)OC,3.809761665107125,Trimethoxysilane
CO[Si](C)(C)CCCNCCN,1000.0,4.0,1.0,0.0,190.36299999999997,8.0,1.0,CO[Si](C)(C)CCCNCCN,3.0,N-(3-(Methoxydimethylsilyl)propyl)ethylenediamine
CO[Si](C)(C)CCl,1500.0,1.0,2.0,0.0,138.67000000000002,4.0,1.0,CO[Si](C)(C)CCl,3.1760912590556813,Dimethyl(chloromethyl)methoxysilane
CO[Si](C=C)(OC)OC,1150.0,2.0,2.0,0.0,148.23399999999998,5.0,3.0,CO[Si](C=C)(OC)OC,3.060697840353612,Vinyltrimethoxysilane
CO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OC)OC,3500.0,4.0,0.0,0.0,468.282,11.0,3.0,CO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OC)OC,3.5440680443502757,"Trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane"
CO[Si](CCC1CC2OC2CC1)(OC)OC,7500.0,4.0,1.0,0.0,246.37899999999996,11.0,4.0,CO[Si](CCC1CC2OC2CC1)(OC)OC,3.8750612633917,"beta-(3,4-Epoxycyclohexyl)ethyltrimethoxysilane"
CO[Si](CCCCl)(OC)OC,2751.0,4.0,1.0,0.0,198.722,6.0,3.0,CO[Si](CCCCl)(OC)OC,3.4394905903896835,(3-Chloropropyl)trimethoxysilane
CO[Si](CCCN=C=O)(OC)OC,1009.0,4.0,1.0,0.0,205.286,7.0,4.0,CO[Si](CCCN=C=O)(OC)OC,3.0038911662369103,"Silane, (3-isocyanatopropyl)trimethoxy-"
CO[Si](CCCNC(N)=O)(OC)OC,7500.0,4.0,1.0,0.0,222.317,7.0,4.0,CO[Si](CCCNC(N)=O)(OC)OC,3.8750612633917,[3-(Trimethoxysilyl)propyl]urea
CO[Si](CCCNC1C=CC=CC=1)(OC)OC,969.0,4.0,2.0,0.0,255.39,12.0,3.0,CO[Si](CCCNC1C=CC=CC=1)(OC)OC,2.986323777050765,N-[3-(Trimethoxysilyl)propyl]aniline
CO[Si](CCCNC1CCCCC1)(OC)OC,3500.0,4.0,2.0,0.0,261.43799999999993,12.0,3.0,CO[Si](CCCNC1CCCCC1)(OC)OC,3.5440680443502757,Geniosil GF 92
CO[Si](CCCNCCC[Si](OC)(OC)OC)(OC)OC,4200.0,4.0,2.0,0.0,341.5530000000001,12.0,6.0,CO[Si](CCCNCCC[Si](OC)(OC)OC)(OC)OC,3.6232492903979003,3-(Trimethoxysilyl)-N-[3-(trimethoxysilyl)propyl]propan-1-amine
CO[Si](CCCNCCN)(OC)OC,2354.0,4.0,1.0,0.0,222.36099999999996,8.0,3.0,CO[Si](CCCNCCN)(OC)OC,3.371806458507416,"N-[3-(Trimethoxysilyl)propyl]ethane-1,2-diamine"
CO[Si](CCCNCCNCCN)(OC)OC,2354.0,3.0,2.0,0.0,265.42999999999995,10.0,3.0,CO[Si](CCCNCCNCCN)(OC)OC,3.371806458507416,"N-(2-Aminoethyl)-N'-[3-(trimethoxysilyl)propyl]ethane-1,2-diamine"
CO[Si](CCCOC(=O)C=C)(OC)OC,3500.0,4.0,1.0,0.0,234.32399999999996,9.0,5.0,CO[Si](CCCOC(=O)C=C)(OC)OC,3.5440680443502757,"2-Propenoic acid, 3-(trimethoxysilyl)propyl ester"
CO[Si](CCCOCC1CO1)(OC)OC,10001.0,4.0,1.0,0.0,236.33999999999995,9.0,5.0,CO[Si](CCCOCC1CO1)(OC)OC,4.000043427276863,Trimethoxy[3-(oxiran-2-ylmethoxy)propyl]silane
CO[Si](CCCS)(OC)OC,6108.0,4.0,1.0,0.0,196.344,6.0,3.0,CO[Si](CCCS)(OC)OC,3.7858990283843834,3-Mercaptopropyltrimethoxysilane
CO[Si](CCl)(OC)OC,500.0,3.0,2.0,0.0,170.668,4.0,3.0,CO[Si](CCl)(OC)OC,2.6989700043360187,"Silane, chloromethyl-trimethoxy-"
CO[Si](OC)(C1C=CC=CC=1)C1C=CC=CC=1,2705.0,4.0,2.0,0.0,244.366,14.0,2.0,CO[Si](OC)(C1C=CC=CC=1)C1C=CC=CC=1,3.4321672694425884,Dimethoxy(diphenyl)silane
CO[Si](OC)(C1CCCC1)C1CCCC1,2751.0,4.0,1.0,0.0,228.4079999999999,12.0,2.0,CO[Si](OC)(C1CCCC1)C1CCCC1,3.4394905903896835,"Cyclopentane, 1,1'-(dimethoxysilylene)bis-"
CO[Si](OC)(OC)C1C=CC=CC=1,1049.0,4.0,2.0,0.0,198.294,9.0,3.0,CO[Si](OC)(OC)C1C=CC=CC=1,3.020775488193558,Trimethoxyphenylsilane
CP(=O)(OC(C)C)OC(C)C,826.0,4.0,1.0,0.0,180.184,7.0,3.0,CP(=O)(OC(C)C)OC(C)C,2.9169800473203824,Diisopropyl methylphosphonate
CP(=O)(OC)OC,7998.0,1.0,2.0,0.0,124.07599999999998,3.0,3.0,CP(=O)(OC)OC,3.9029813997975027,Dimethyl methylphosphonate
CP(=O)(OC1C=CC=CC=1)OC1C=CC=CC=1,233.0,4.0,1.0,0.0,248.218,13.0,3.0,CP(=O)(OC1C=CC=CC=1)OC1C=CC=CC=1,2.367355921026019,"Phosphonic acid, methyl-, diphenyl ester"
CP(=O)(OCC)SCC,6.0,4.0,2.0,0.0,168.19799999999998,5.0,2.0,CP(=O)(OCC)SCC,0.7781512503836436,"Phosphonothioic acid, P-methyl-, O,S-diethyl ester"
CP(=S)(OC1C=CC(=CC=1)C#N)OC1C=CC=CC=1,79.0,4.0,2.0,0.0,289.296,14.0,2.0,CP(=S)(OC1C=CC(=CC=1)C#N)OC1C=CC=CC=1,1.8976270912904414,
CP(=S)(OC1C=CC(=CC=1)[N+]([O-])=O)OC1C=CC=CC=1,8.0,4.0,2.0,0.0,309.2830000000001,13.0,4.0,CP(=S)(OC1C=CC(=CC=1)[N+]([O-])=O)OC1C=CC=CC=1,0.9030899869919435,O-(p-Nitrophenyl) O-phenyl methylphosphonothioate
CP(=S)(OCC(=C)Cl)OC1=CC=C(C=C1)[N+]([O-])=O,32.0,4.0,2.0,0.0,307.69500000000005,10.0,4.0,CP(=S)(OCC(=C)Cl)OC1=CC=C(C=C1)[N+]([O-])=O,1.505149978319906,
CP(=S)(OP(C)(=S)SCCC)SCCC,65.0,4.0,1.0,1.0,322.4630000000001,8.0,1.0,CP(=S)(OP(C)(=S)SCCC)SCCC,1.8129133566428555,
CP(C)(=O)CN1C2C=CC(Cl)=CC=2C(=NCC1=O)C1C=CC=CC=1,3110.0,4.0,1.0,0.0,360.7810000000001,18.0,2.0,CP(C)(=O)CN1C2C=CC(Cl)=CC=2C(=NCC1=O)C1C=CC=CC=1,3.4927603890268375,Fosazepam
CP(Cl)Cl,830.0,1.0,2.0,0.0,116.915,1.0,0.0,CP(Cl)Cl,2.9190780923760737,Methylphosphonous dichloride
CP(O)(=O)CCC(N)C(O)=O,1570.0,4.0,2.0,0.0,181.128,5.0,4.0,CP(O)(=O)CCC(N)C(O)=O,3.1958996524092336,Glufosinate-ammonium
CP(O)(O)=O,2123.0,1.0,2.0,0.0,96.022,1.0,3.0,CP(O)(O)=O,3.326949994165999,Methyl phosphonic acid
CP1(=O)OCC2(COP(C)(=O)OC2)CO1,7500.0,4.0,3.0,0.0,256.131,7.0,6.0,CP1(=O)OCC2(COP(C)(=O)OC2)CO1,3.8750612633917,"2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-dimethyl-, 3,9-dioxide"
CS,288.0,1.0,2.0,0.0,48.11000000000001,1.0,0.0,CS,2.459392487759231,Sodium thiomethoxide
CS(=O)(=O)C1=CC(=C(C(=C1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O,3500.0,4.0,2.0,0.0,345.37700000000007,13.0,6.0,CS(=O)(=O)C1=CC(=C(C(=C1)[N+]([O-])=O)N(CCC)CCC)[N+]([O-])=O,3.5440680443502757,Nitralin
CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C1C(=O)CCCC1=O)[N+]([O-])=O,7500.0,4.0,3.0,0.0,339.32500000000005,14.0,7.0,CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C1C(=O)CCCC1=O)[N+]([O-])=O,3.8750612633917,Mesotrione
CS(=O)(=O)C1=CC(=C(C=C1)C(O)=O)[N+]([O-])=O,7500.0,4.0,2.0,0.0,245.212,8.0,6.0,CS(=O)(=O)C1=CC(=C(C=C1)C(O)=O)[N+]([O-])=O,3.8750612633917,"Benzoic acid, 4-(methylsulfonyl)-2-nitro-"
CS(=O)(=O)C1=CC(Cl)=C(C=C1)C(=O)C1C(=O)CCCC1=O,7500.0,4.0,3.0,0.0,328.773,14.0,5.0,CS(=O)(=O)C1=CC(Cl)=C(C=C1)C(=O)C1C(=O)CCCC1=O,3.8750612633917,Sulcotrione
CS(=O)(=O)C1=CC2=C(C=C1)SC1=CC=CC=C1N2CCCN1CCC(CC1)C(N)=O,976.0,4.0,2.0,0.0,445.6100000000002,22.0,3.0,CS(=O)(=O)C1=CC2=C(C=C1)SC1=CC=CC=C1N2CCCN1CCC(CC1)C(N)=O,2.9894498176666917,Metopimazine
CS(=O)(=O)C1=NN=C(S1)C(F)(F)F,312.0,2.0,2.0,0.0,232.208,4.0,2.0,CS(=O)(=O)C1=NN=C(S1)C(F)(F)F,2.494154594018443,CERAPP_38405
CS(=O)(=O)C1C=C(C=CC=1C(=O)C1C=NOC=1C1CC1)C(F)(F)F,7500.0,4.0,2.0,0.0,359.3250000000001,15.0,4.0,CS(=O)(=O)C1C=C(C=CC=1C(=O)C1C=NOC=1C1CC1)C(F)(F)F,3.8750612633917,Isoxaflutole
CS(=O)(=O)C1C=CC(=C(Cl)C=1COCC(F)(F)F)C(=O)C1C(=O)CCCC1=O,3500.0,4.0,2.0,0.0,440.82300000000015,17.0,6.0,CS(=O)(=O)C1C=CC(=C(Cl)C=1COCC(F)(F)F)C(=O)C1C(=O)CCCC1=O,3.5440680443502757,Tembotrione
CS(=O)(=O)C1C=CC(=CC=1)C(O)C(CO)NC(=O)C(Cl)Cl,7500.0,4.0,1.0,0.0,356.227,12.0,5.0,CS(=O)(=O)C1C=CC(=CC=1)C(O)C(CO)NC(=O)C(Cl)Cl,3.8750612633917,Thiamphenicol
CS(=O)(=O)C1C=CC(=CC=1)C1=CN2C=CC=CC2=N1,3710.0,4.0,3.0,0.0,272.329,14.0,2.0,CS(=O)(=O)C1C=CC(=CC=1)C1=CN2C=CC=CC2=N1,3.569373909615046,Zolimidine
CS(=O)(=O)C1C=CC(Cl)=CC=1,400.0,3.0,2.0,0.0,190.651,7.0,2.0,CS(=O)(=O)C1C=CC(Cl)=CC=1,2.6020599913279625,4-Chlorophenyl methyl sulfone
CS(=O)(=O)C1C=CC(N)=C(Cl)C=1,9500.0,4.0,2.0,0.0,205.666,7.0,2.0,CS(=O)(=O)C1C=CC(N)=C(Cl)C=1,3.9777236052888476,2-Chloro-4-(methylsulfonyl)aniline
CS(=O)(=O)C1C=CC=CC=1,1470.0,1.0,2.0,0.0,156.20600000000002,7.0,2.0,CS(=O)(=O)C1C=CC=CC=1,3.167317334748176,"Benzene, (methylsulfonyl)-"
CS(=O)(=O)C1N=C(C2C=CC(F)=CC=2)N(N=1)C1C=CC(Cl)=CC=1,240.0,4.0,2.0,0.0,351.79,15.0,2.0,CS(=O)(=O)C1N=C(C2C=CC(F)=CC=2)N(N=1)C1C=CC(Cl)=CC=1,2.380211241711606,"1H-1,2,4-Triazole, 1-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(methylsulfonyl)-"
CS(=O)(=O)C=C,570.0,1.0,2.0,0.0,106.146,3.0,2.0,CS(=O)(=O)C=C,2.7558748556724915,Methyl vinyl sulfone
CS(=O)(=O)Cl,205.0,1.0,2.0,0.0,114.553,1.0,2.0,CS(=O)(=O)Cl,2.311753861055754,Methanesulfonyl chloride
CS(=O)(=O)F,2.0,1.0,2.0,0.0,98.098,1.0,2.0,CS(=O)(=O)F,0.3010299956639812,Methanesulfonyl fluoride
CS(=O)(=O)N(C)S(=O)(=O)N/C(/O)=N/C1=NC(=CC(=N1)OC)OC,7500.0,3.0,1.0,0.0,369.3810000000001,9.0,7.0,CS(=O)(=O)N(C)S(=O)(=O)N/C(/O)=N/C1=NC(=CC(=N1)OC)OC,3.8750612633917,Amidosulfuron
CS(=O)(=O)N(SC(Cl)(Cl)C(F)(Cl)Cl)C1=CC=C(Cl)C=C1,1470.0,4.0,1.0,0.0,421.557,9.0,2.0,CS(=O)(=O)N(SC(Cl)(Cl)C(F)(Cl)Cl)C1=CC=C(Cl)C=C1,3.167317334748176,"Methanesulfonamide, N-(p-chlorophenyl)-N-((1,1,2,2-tetrachloro-2-fluoroethyl)thio)-"
CS(=O)(=O)NC(=O)C1=CC(=CC=C1[N+]([O-])=O)OC1=CC=C(C=C1Cl)C(F)(F)F,1550.0,4.0,1.0,0.0,438.76700000000005,15.0,6.0,CS(=O)(=O)NC(=O)C1=CC(=CC=C1[N+]([O-])=O)OC1=CC=C(C=C1Cl)C(F)(F)F,3.1903316981702914,Fomesafen
CS(=O)(=O)NC1=CC=C(C=C1OC1C=CC=CC=1)[N+]([O-])=O,200.0,4.0,3.0,0.0,308.315,13.0,5.0,CS(=O)(=O)NC1=CC=C(C=C1OC1C=CC=CC=1)[N+]([O-])=O,2.3010299956639813,Nimesulide
CS(=O)(=O)NC1C=CC(=CC=1)C(=O)NCCN(CC)CC,3200.0,4.0,2.0,0.0,313.42300000000006,14.0,3.0,CS(=O)(=O)NC1C=CC(=CC=1)C(=O)NCCN(CC)CC,3.505149978319906,Sematilide monohydrochloride
CS(=O)(=O)NCC1=CC(=C(C=C1)C(=O)OC)S(=O)(=O)NC(=O)NC1N=C(C=C(N=1)OC)OC,7500.0,3.0,1.0,3.0,503.5150000000002,17.0,9.0,CS(=O)(=O)NCC1=CC(=C(C=C1)C(=O)OC)S(=O)(=O)NC(=O)NC1N=C(C=C(N=1)OC)OC,3.8750612633917,Mesosulfuron-methyl
CS(=O)(=O)OC(COS(C)(=O)=O)C(O)C(O)C(COS(C)(=O)=O)OS(C)(=O)=O,7500.0,2.0,1.0,2.0,494.54000000000025,10.0,14.0,CS(=O)(=O)OC(COS(C)(=O)=O)C(O)C(O)C(COS(C)(=O)=O)OS(C)(=O)=O,3.8750612633917,
CS(=O)(=O)OC1C=CC(=CC=1)NC1C=CC(O)=C2C=1C(=O)C1C=CC=CC=1C2=O,7500.0,4.0,2.0,0.0,409.41900000000015,21.0,6.0,CS(=O)(=O)OC1C=CC(=CC=1)NC1C=CC(O)=C2C=1C(=O)C1C=CC=CC=1C2=O,3.8750612633917,"9,10-Anthracenedione, 1-hydroxy-4-[[4-[(methylsulfonyl)oxy]phenyl]amino]-"
CS(=O)(=O)OCC1OC1C1OC1COS(C)(=O)=O,225.0,3.0,2.0,0.0,302.3260000000001,8.0,8.0,CS(=O)(=O)OCC1OC1C1OC1COS(C)(=O)=O,2.3521825181113627,
CS(=O)(=O)OCCCN(CC1C=CC=CC=1)CCCOS(C)(=O)=O,375.0,4.0,1.0,0.0,379.5000000000001,15.0,6.0,CS(=O)(=O)OCCCN(CC1C=CC=CC=1)CCCOS(C)(=O)=O,2.574031267727719,"1-Propanol, 3,3'-(benzylimino)di-, dimethanesulfonate (ester), hydrochloride"
CS(=O)(=O)OCCCN(CCCOS(C)(=O)=O)C1C=CC=CC=1,38.0,4.0,1.0,0.0,365.47300000000007,14.0,6.0,CS(=O)(=O)OCCCN(CCCOS(C)(=O)=O)C1C=CC=CC=1,1.5797835966168101,"1-Propanol, 3,3'-(phenylimino)di-, dimethanesulfonate (ester), hydrochloride"
CS(=O)(=O)OCCCNCCCOS(C)(=O)=O,108.0,3.0,2.0,0.0,289.375,8.0,6.0,CS(=O)(=O)OCCCNCCCOS(C)(=O)=O,2.03342375548695,Improsulfan
CS(=O)C(C)(C)CO,10001.0,2.0,2.0,0.0,136.216,5.0,2.0,CS(=O)C(C)(C)CO,4.000043427276863,
CS(=O)C1=CC(OC)=C(C=C1)C1NC2C=CC=NC=2N=1,315.0,4.0,3.0,0.0,287.344,14.0,2.0,CS(=O)C1=CC(OC)=C(C=C1)C1NC2C=CC=NC=2N=1,2.4983105537896004,Sulmazole
CS(=O)C1C=CC(=CC=1)OP(=S)(OCC)OCC,2.2,4.0,2.0,0.0,308.36100000000005,11.0,4.0,CS(=O)C1C=CC(=CC=1)OP(=S)(OCC)OCC,0.3424226808222063,Fensulfothion
CS(=O)C1C=CC(Cl)=CC=1,463.0,3.0,2.0,0.0,174.652,7.0,1.0,CS(=O)C1C=CC(Cl)=CC=1,2.6655809910179533,4-Chlorophenyl methyl sulfoxide
CS(=O)CC(=O)C1C=CC=CN=1,6550.0,4.0,2.0,0.0,183.23200000000003,8.0,2.0,CS(=O)CC(=O)C1C=CC=CN=1,3.816241299991783,
CS(C)(=O)=O,4251.0,1.0,2.0,0.0,94.135,2.0,2.0,CS(C)(=O)=O,3.628491104967123,Dimethyl sulfone
CS(C)=O,10001.0,1.0,2.0,0.0,78.136,2.0,1.0,CS(C)=O,4.000043427276863,Dimethyl sulfoxide
CS(O)(=O)=O,3429.5,0.0,2.0,0.0,96.107,1.0,3.0,CS(O)(=O)=O,3.5352308071945058,"Methanesulfonic acid, sodium salt (1:1)"
CSC,1875.0,1.0,2.0,0.0,62.137,2.0,0.0,CSC,3.2730012720637376,Dimethyl sulfide
CSC#N,60.0,1.0,2.0,0.0,73.12,2.0,0.0,CSC#N,1.7781512503836436,Methyl thiocyanate
CSC(=O)C1=CC=CC2N=NSC1=2,4501.0,3.0,2.0,0.0,210.283,8.0,1.0,CSC(=O)C1=CC=CC2N=NSC1=2,3.653309012938479,Acibenzolar-S-methyl
CSC(=S)N(C)C,62.0,1.0,2.0,0.0,135.257,4.0,0.0,CSC(=S)N(C)C,1.792391689498254,"Carbamic acid, dimethyldithio-, methyl ester"
CSC(C)(C)CN=O,742.0,1.0,2.0,0.0,133.216,5.0,1.0,CSC(C)(C)CN=O,2.870403905279027,Aldicarb oxime
CSC(C)=CSP(=S)(OCC)OCC,2.5,4.0,1.0,0.0,272.397,8.0,2.0,CSC(C)=CSP(=S)(OCC)OCC,0.3979400086720376,"Phosphorodithioic acid, O,O-diethyl S-[2-(methylthio)-1-propenyl] ester"
CSC(C)N=O,500.0,1.0,2.0,0.0,105.162,3.0,1.0,CSC(C)N=O,2.6989700043360187,"Ethanimidothioic acid, N-hydroxy-, methyl ester"
CSC(N=O)C(=O)N(C)C,7000.0,4.0,2.0,0.0,162.21399999999997,5.0,2.0,CSC(N=O)C(=O)N(C)C,3.845098040014257,Methyl 2-(dimethylamino)-N-hydroxy-2-oxoethanimidothioate
CSC1=CC=C(C=C1)OP(=S)(OCC)SCCC,149.0,4.0,1.0,1.0,322.457,12.0,2.0,CSC1=CC=C(C=C1)OP(=S)(OCC)SCCC,2.173186268412274,Sulprofos
CSC1=NN=C(C(=O)N1N)C(C)(C)C,614.0,4.0,2.0,0.0,214.294,8.0,1.0,CSC1=NN=C(C(=O)N1N)C(C)(C)C,2.788168371141168,Metribuzin
CSC1=NN=C(C(=O)N1N=CC(C)C)C(C)(C)C,10000.0,4.0,3.0,0.0,268.386,12.0,1.0,CSC1=NN=C(C(=O)N1N=CC(C)C)C(C)(C)C,4.0,Isomethiozin
CSC1C=C(Cl)C(=CC=1Cl)OP(=S)(OCC)OCC,10.15,4.0,0.0,1.0,361.25200000000007,11.0,3.0,CSC1C=C(Cl)C(=CC=1Cl)OP(=S)(OCC)OCC,1.0064660422492318,Chlorthiophos I
CSC1C=CC(=CC=1)C(=O)C(C)(C)N1CCOCC1,1746.0,4.0,3.0,0.0,279.4049999999999,15.0,2.0,CSC1C=CC(=CC=1)C(=O)C(C)(C)N1CCOCC1,3.2420442393695508,2-Methyl-4'-(methylthio)-2-morpholinopropiophenone
CSC1C=CC(Cl)=CC=1,400.0,2.0,2.0,0.0,158.653,7.0,0.0,CSC1C=CC(Cl)=CC=1,2.6020599913279625,4-Chlorophenyl methyl sulfide
CSC1C=CC=CC=1,1020.25,1.0,2.0,0.0,124.20799999999996,7.0,0.0,CSC1C=CC=CC=1,3.0087066034453085,"Benzene, (methylthio)-"
CSC1N=C(C2C=CC(Cl)=CC=2)N(N=1)C1C=CC(Cl)=CC=1,770.0,4.0,2.0,0.0,336.247,15.0,0.0,CSC1N=C(C2C=CC(Cl)=CC=2)N(N=1)C1C=CC(Cl)=CC=1,2.886490725172482,"1H-1,2,4-Triazole, 1,5-bis(4-chlorophenyl)-3-(methylthio)-"
CSC1N=C(N=[N+]=[N-])N=C(NC(C)C)N=1,3600.0,4.0,2.0,0.0,225.28100000000003,7.0,0.0,CSC1N=C(N=[N+]=[N-])N=C(NC(C)C)N=1,3.5563025007672873,Aziprotryne
CSC1N=C(NC(C)C)N=C(NC(C)C)N=1,2370.125,4.0,1.0,0.0,241.364,10.0,0.0,CSC1N=C(NC(C)C)N=C(NC(C)C)N=1,3.374771251233173,Prometryn
CSC1N=C(NCC)N=C(NCC)N=1,750.0,4.0,1.0,0.0,213.31,8.0,0.0,CSC1N=C(NCC)N=C(NCC)N=1,2.8750612633917,Simetryn
CSC1N=C(NCCCOC)N=C(NCCCOC)N=1,3013.0,4.0,2.0,0.0,301.416,12.0,2.0,CSC1N=C(NCCCOC)N=C(NCCCOC)N=1,3.478999131673357,"2,4-Bis((3-methoxypropyl)amino)-6(methylthio)-s-triazine"
CSC1NC2C=C(OC3=CC=CC(Cl)=C3Cl)C(Cl)=CC=2N=1,8000.0,3.0,1.0,1.0,359.665,14.0,1.0,CSC1NC2C=C(OC3=CC=CC(Cl)=C3Cl)C(Cl)=CC=2N=1,3.9030899869919438,Triclabendazole
CSCC(N=O)C(C)(C)C,813.0,4.0,2.0,0.0,161.26999999999998,7.0,1.0,CSCC(N=O)C(C)(C)C,2.910090545594068,"3,3-Dimethyl-1-(methylthio)butan-2-one oxime"
CSCC1=CN=CC=N1,2150.0,1.0,2.0,0.0,140.21099999999998,6.0,0.0,CSCC1=CN=CC=N1,3.3324384599156054,"Pyrazine, [(methylthio)methyl]-"
CSCCC(N)C(O)=O,10001.0,2.0,2.0,0.0,149.215,5.0,2.0,CSCCC(N)C(O)=O,4.000043427276863,L-Methionine
CSCCC(NC(=O)C(CC1=CNC2C=CC=CC1=2)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(CC1C=CC=CC=1)C(N)=O,100.0,1.0,1.0,1.0,767.9060000000002,37.0,9.0,CSCCC(NC(=O)C(CC1=CNC2C=CC=CC1=2)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)NC(CC(O)=O)C(=O)NC(CC1C=CC=CC=1)C(N)=O,2.0,Pentagastrin
CSCCC(O)C#N,49.0,1.0,2.0,0.0,131.2,5.0,1.0,CSCCC(O)C#N,1.6901960800285136,"Butanenitrile, 2-hydroxy-4-(methylthio)-"
CSCCC(O)C(O)=O,3478.0,1.0,2.0,0.0,150.19899999999998,5.0,3.0,CSCCC(O)C(O)=O,3.5413295776666938,CERAPP_28045
CSCCC=O,665.0,1.0,2.0,0.0,104.174,4.0,1.0,CSCCC=O,2.8228216453031045,3-(Methylthio)propanal
CSCCSP(=O)(OC)OC,20.0,4.0,1.0,0.0,216.26399999999995,5.0,3.0,CSCCSP(=O)(OC)OC,1.3010299956639813,Demephion-S
CSCSC,3500.0,1.0,2.0,0.0,108.231,3.0,0.0,CSCSC,3.5440680443502757,"Methane, bis(methylthio)-"
CSP(=O)(CC)OCC,4.6,4.0,2.0,0.0,168.19799999999998,5.0,2.0,CSP(=O)(CC)OCC,0.6627578316815741,
CSP(=O)(OC)SC(C1C=CC=CC=1)C(=O)OCC,250.0,4.0,1.0,0.0,320.37199999999996,12.0,4.0,CSP(=O)(OC)SC(C1C=CC=CC=1)C(=O)OCC,2.3979400086720375,
CSP(=O)(SC)SC,30.0,3.0,2.0,0.0,188.279,3.0,1.0,CSP(=O)(SC)SC,1.4771212547196624,"S,S,S-Trimethyl phosphorotrithioate"
CSP(=S)(OC)OC,15.0,3.0,2.0,0.0,172.21099999999998,3.0,2.0,CSP(=S)(OC)OC,1.1760912590556813,"O,O,S- Trimethyl dithiophosphate"
CSSC,400.0,1.0,2.0,0.0,94.204,2.0,0.0,CSSC,2.6020599913279625,Methyl disulfide
C[N+](C)(C)C,92.0,1.0,2.0,0.0,74.14699999999999,4.0,0.0,C[N+](C)(C)C,1.9637878273455553,Tetramethylammonium
C[N+](C)(C)C1=CC(=CC=C1)NC1C=C(N)C2C(=O)C(Br)=CC(=N)C=2C=1O,3500.0,4.0,0.0,0.0,416.299,19.0,2.0,C[N+](C)(C)C1=CC(=CC=C1)NC1C=C(N)C2C(=O)C(Br)=CC(=N)C=2C=1O,3.5440680443502757,Basic Blue 99
C[N+](C)(C)C1=CC2C(/N=N/C3C=C(C(N)=CC=3)[N+]([O-])=O)=C(O)C=CC=2C=C1,2000.0,4.0,0.0,0.0,366.4010000000001,19.0,3.0,C[N+](C)(C)C1=CC2C(/N=N/C3C=C(C(N)=CC=3)[N+]([O-])=O)=C(O)C=CC=2C=C1,3.3010299956639813,"2-Naphthalenaminium, 8-[2-(4-amino-3-nitrophenyl)diazenyl]-7-hydroxy-N,N,N-trimethyl-, chloride (1:1)"
C[N+](C)(C)C1C=CC=CC=1,134.0,3.0,2.0,0.0,136.21799999999996,9.0,0.0,C[N+](C)(C)C1C=CC=CC=1,2.1271047983648077,Phenyltrimethylammonium methosulfate
C[N+](C)(C)CC(O)=O,10001.0,2.0,2.0,0.0,118.15599999999998,5.0,2.0,C[N+](C)(C)CC(O)=O,4.000043427276863,Betaine hydrochloride
C[N+](C)(C)CC(O)CC([O-])=O,3500.0,2.0,1.0,0.0,161.20099999999996,7.0,3.0,C[N+](C)(C)CC(O)CC([O-])=O,3.5440680443502757,Carnitine
C[N+](C)(C)CC(O)CCl,2800.0,2.0,2.0,0.0,152.64499999999998,6.0,1.0,C[N+](C)(C)CC(O)CCl,3.4471580313422194,Dextrosil
C[N+](C)(C)CC([O-])=O,10001.0,0.0,2.0,0.0,117.14799999999998,5.0,2.0,C[N+](C)(C)CC([O-])=O,4.000043427276863,Betaine monohydrate
C[N+](C)(C)CC1C=CC=CC=1,78.0,3.0,2.0,0.0,150.24499999999998,10.0,0.0,C[N+](C)(C)CC1C=CC=CC=1,1.8920946026904804,Benzyltrimethylammonium
C[N+](C)(C)CC1CO1,1088.0,2.0,2.0,0.0,116.18399999999998,6.0,1.0,C[N+](C)(C)CC1CO1,3.036628895362161,"N,N,N-Trimethyl(oxiran-2-yl)methanaminium"
C[N+](C)(C)CCBr,190.0,3.0,2.0,0.0,167.07,5.0,0.0,C[N+](C)(C)CCBr,2.278753600952829,"Ethanaminium, 2-bromo-N,N,N-trimethyl-, bromide (1:1)"
C[N+](C)(C)CCCCCC[N+](C)(C)C,1695.5,4.0,1.0,0.0,202.38599999999997,12.0,0.0,C[N+](C)(C)CCCCCC[N+](C)(C)C,3.229297794114105,"N,N,N,N',N',N'-Hexamethylhexane-1,6-diaminium"
C[N+](C)(C)CCCNC(=O)CCCCCCCCC=C,5588.0,4.0,1.0,0.0,283.48,17.0,1.0,C[N+](C)(C)CCCNC(=O)CCCCCCCCC=C,3.7472563974421442,Trimethyl-3-((1-oxo-10-undecenyl)amino)propylammonium methyl sulphate
C[N+](C)(C)CCC[N+]1(C)CC2C(C1)C1CCC2C=C1,1730.0,4.0,2.0,0.0,264.457,17.0,0.0,C[N+](C)(C)CCC[N+]1(C)CC2C(C1)C1CCC2C=C1,3.2380461031287955,
C[N+](C)(C)CCCl,600.0,2.0,2.0,0.0,122.619,5.0,0.0,C[N+](C)(C)CCCl,2.7781512503836434,Chlormequat parent
C[N+](C)(C)CCO,4615.0,2.0,2.0,0.0,104.173,5.0,1.0,C[N+](C)(C)CCO,3.6641717053619307,Choline bromide
C[N+](C)(C)CCOC(=O)C=C,1181.0,3.0,2.0,0.0,158.22099999999998,8.0,2.0,C[N+](C)(C)CCOC(=O)C=C,3.072249897613515,"Ethanaminium, N,N,N-trimethyl-2-[(1-oxo-2-propenyl)oxy]-, methyl sulfate"
C[N+](C)(C)CCOC(N)=O,40.0,2.0,2.0,0.0,147.19799999999998,6.0,2.0,C[N+](C)(C)CCOC(N)=O,1.6020599913279623,Carbamylcholine
C[N+](C)(C)CCOP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1O)N1C=CC(N)=NC1=O,10001.0,2.0,1.0,2.0,489.3350000000002,14.0,11.0,C[N+](C)(C)CCOP(O)(=O)OP(O)(=O)OCC1OC(C(O)C1O)N1C=CC(N)=NC1=O,4.000043427276863,Citicoline
C[N+](C)(C)CCSP(=O)(OCC)OCC,0.17,4.0,2.0,0.0,256.328,9.0,3.0,C[N+](C)(C)CCSP(=O)(OCC)OCC,-0.769551078621726,Echothiophate
C[N+](C)(C)CC[N+]1(C)CC2C(C1)=C(Cl)C(Cl)=C(Cl)C=2Cl,300.0,4.0,1.0,0.0,358.14000000000004,14.0,0.0,C[N+](C)(C)CC[N+]1(C)CC2C(C1)=C(Cl)C(Cl)=C(Cl)C=2Cl,2.4771212547196626,Chlorisondamine chloride
C[N+](C)(C)[O-],4733.0,1.0,2.0,0.0,75.11099999999999,3.0,1.0,C[N+](C)(C)[O-],3.6751365044679942,"N,N-Dimethyl-methanamine-N-oxide"
C[N+](C)(CC(O)C[N+](C)(C)CCO)CCO,1550.0,3.0,1.0,0.0,236.35599999999997,11.0,3.0,C[N+](C)(CC(O)C[N+](C)(C)CCO)CCO,3.1903316981702914,"1,3-Propanediaminium, 2-hydroxy-N1,N3-bis(2-hydroxyethyl)-N1,N1,N3,N3-tetramethyl-, chloride (1:2)"
C[N+](C)(CC1C=CC=CC=1)CCOC(=O)C=C,2751.0,4.0,1.0,0.0,234.319,14.0,2.0,C[N+](C)(CC1C=CC=CC=1)CCOC(=O)C=C,3.4394905903896835,"N-(2-Acryloyloxyethyl)-N-benzyl-N,N-dimethylammonium chloride"
C[N+](C)(CC=C)CC=C,3578.0,3.0,2.0,0.0,126.22299999999998,8.0,0.0,C[N+](C)(CC=C)CC=C,3.553640336231354,Dimethyldiallylammonium
C[N+](C)(CCCCCCCC)CCCCCCCC,238.0,3.0,1.0,1.0,270.5249999999999,18.0,0.0,C[N+](C)(CCCCCCCC)CCCCCCCC,2.376576957056512,Dioctyldimethylammonium chloride
C[N+](C)(CCCCCCCCCC)CCCCCCCCCC,283.5,2.0,1.0,1.0,326.6330000000001,22.0,0.0,C[N+](C)(CCCCCCCCCC)CCCCCCCCCC,2.452553063228925,Didecyldimethylammonium bromide
C[N+](C)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC,2430.0,0.0,0.0,1.0,494.9570000000006,34.0,0.0,C[N+](C)(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC,3.385606273598312,Dihexadecyldimethylammonium chloride
C[N+](C)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC,10001.0,0.0,0.0,2.0,551.0650000000004,38.0,0.0,C[N+](C)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC,4.000043427276863,"1-Octadecanaminium, N,N-dimethyl-N-octadecyl-, bromide (1:1)"
C[N+](C)(CCCNS(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC([O-])=O,7500.0,3.0,1.0,1.0,570.3679999999999,15.0,4.0,C[N+](C)(CCCNS(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC([O-])=O,3.8750612633917,"1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[[(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)sulfonyl]amino]-, inner salt"
C[N+](C)(CCCOC(=O)C(=CC1C=CC(=CC=1)N(CC)CC)C#N)CCOC(=O)C(=CC1C=CC(=CC=1)N(CC)CC)C#N,2700.0,1.0,0.0,2.0,600.7840000000002,35.0,4.0,C[N+](C)(CCCOC(=O)C(=CC1C=CC(=CC=1)N(CC)CC)C#N)CCOC(=O)C(=CC1C=CC(=CC=1)N(CC)CC)C#N,3.4313637641589874,"1-Propanaminium, 3-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]-N-[2-[[2-cyano-3-[4-(diethylamino)phenyl]-1-oxo-2-propen-1-yl]oxy]ethyl]-N,N-dimethyl-, chloride (1:1)"
C[N+](C)(CCO)CCCO,4080.0,2.0,1.0,0.0,148.226,7.0,2.0,C[N+](C)(CCO)CCCO,3.61066016308988,"1-Propanaminium, 3-hydroxy-N-(2-hydroxyethyl)-N,N-dimethyl-, chloride (1:1)"
C[N+](C)(CCOC(=O)CCCCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCCCCC,3500.0,0.0,0.0,2.0,667.1369999999998,42.0,4.0,C[N+](C)(CCOC(=O)CCCCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCCCCC,3.5440680443502757,"Ethanaminium, N,N-dimethyl-2-[(1-oxooctadecyl)oxy]-N-[2-[(1-oxooctadecyl)oxy]ethyl]-, chloride"
C[N+](C)=C1C=CC(C=C1)=C(C1C=CC(=CC=1)N(C)C)C1C=CC(=CC=1)N(C)C,420.0,4.0,0.0,0.0,372.53600000000006,25.0,0.0,C[N+](C)=C1C=CC(C=C1)=C(C1C=CC(=CC=1)N(C)C)C1C=CC(=CC=1)N(C)C,2.6232492903979003,"Methanaminium, N-[4-[bis[4-(dimethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, acetate"
C[N+](CCC(C(N)=O)(C1C=CC=CC=1)C1C=CC=CC=1)(C(C)C)C(C)C,5516.0,4.0,0.0,0.0,353.5300000000001,23.0,1.0,C[N+](CCC(C(N)=O)(C1C=CC=CC=1)C1C=CC=CC=1)(C(C)C)C(C)C,3.7416242575038123,Isopropamide
C[N+](CCCC)(CCCC)CCCC,3500.0,4.0,0.0,0.0,200.38999999999993,13.0,0.0,C[N+](CCCC)(CCCC)CCCC,3.5440680443502757,"N,N-dibutyl-N-methylbutan-1-aminium"
C[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC,236.0,2.0,0.0,1.0,368.7140000000002,25.0,0.0,C[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC,2.3729120029701067,"N-methyl-N,N-dioctyloctan-1-aminium"
C[N+](CCO)(CC)CC,3500.0,2.0,1.0,0.0,132.227,7.0,1.0,C[N+](CCO)(CC)CC,3.5440680443502757,"Ethanaminium, N,N-diethyl-2-hydroxy-N-methyl-, methyl sulfate (1:1)"
C[N+](CCO)(CCO)CCO,6400.0,3.0,1.0,0.0,164.22499999999997,7.0,3.0,C[N+](CCO)(CCO)CCO,3.806179973983887,"2-Hydroxy-N,N-bis(2-hydroxyethyl)-N-methylethanaminium chloride"
C[N+](CCOC(=O)C(O)(C1CCCCC1)C1C=CC=CC=1)(CC)CC,995.0,4.0,2.0,0.0,348.50700000000023,21.0,3.0,C[N+](CCOC(=O)C(O)(C1CCCCC1)C1C=CC=CC=1)(CC)CC,2.9978230807457256,Oxyphenonium
C[N+](CCOC(=O)C1C2=CC=CC=C2OC2=CC=CC=C21)(CC)CC,1360.0,4.0,1.0,0.0,340.4430000000001,21.0,3.0,C[N+](CCOC(=O)C1C2=CC=CC=C2OC2=CC=CC=C21)(CC)CC,3.1335389083702174,
C[N+](CCOC(=O)C1C2=CC=CC=C2OC2C=CC=CC=21)(C(C)C)C(C)C,370.0,4.0,0.0,0.0,368.4970000000001,23.0,3.0,C[N+](CCOC(=O)C1C2=CC=CC=C2OC2C=CC=CC=21)(C(C)C)C(C)C,2.568201724066995,Propanthelin
C[N+](CCOC(=O)C1C2=CC=CC=C2OC2C=CC=CC=21)(CC)CC,400.0,4.0,1.0,0.0,340.4430000000001,21.0,3.0,C[N+](CCOC(=O)C1C2=CC=CC=C2OC2C=CC=CC=21)(CC)CC,2.6020599913279625,Methantheline
C[N+]([O-])(CCCl)CCCl,60.0,4.0,2.0,0.0,172.055,5.0,1.0,C[N+]([O-])(CCCl)CCCl,1.7781512503836436,Nitrogen mustard N-oxide
C[N+]([O-])=O,1499.0,1.0,2.0,0.0,61.040000000000006,1.0,2.0,C[N+]([O-])=O,3.1758016328482794,Nitromethane
C[N+]1(C)C2CC(CC1C1OC12)OC(=O)C(CO)C1C=CC=CC=1,2632.0,4.0,3.0,0.0,318.3930000000001,18.0,4.0,C[N+]1(C)C2CC(CC1C1OC12)OC(=O)C(CO)C1C=CC=CC=1,3.4202858849419178,Methscopolamine
C[N+]1(C)C2CC(CC1CC2)OC(=O)C(CCC)CCC,705.0,4.0,1.0,0.0,282.448,17.0,2.0,C[N+]1(C)C2CC(CC1CC2)OC(=O)C(CCC)CCC,2.848189116991399,Anisotropine methylbromide
C[N+]1(C)C2CC(CC1CC2)OC(=O)C(CO)C1C=CC=CC=1,1476.0,4.0,3.0,0.0,304.41,18.0,3.0,C[N+]1(C)C2CC(CC1CC2)OC(=O)C(CO)C1C=CC=CC=1,3.1690863574870227,Methylatropine
C[N+]1(C)C2CC(CC1CC2)OC(=O)C(O)C1C=CC=CC=1,1200.0,4.0,3.0,0.0,290.38300000000004,17.0,3.0,C[N+]1(C)C2CC(CC1CC2)OC(=O)C(O)C1C=CC=CC=1,3.0791812460476247,Homatropine methylbromide
C[N+]1(C)CC(CC1)OC(=O)C(O)(C1=CC=CS1)C1C=CC=CC=1,3576.0,4.0,3.0,0.0,332.44500000000005,18.0,3.0,C[N+]1(C)CC(CC1)OC(=O)C(O)(C1=CC=CS1)C1C=CC=CC=1,3.55339751012388,
C[N+]1(C)CC(CCC1)OC(=O)C(O)(C1C=CC=CC=1)C1C=CC=CC=1,742.0,4.0,3.0,0.0,340.4430000000001,21.0,3.0,C[N+]1(C)CC(CCC1)OC(=O)C(O)(C1C=CC=CC=1)C1C=CC=CC=1,2.870403905279027,Mepenzolate
C[N+]1(C)CCC(C1)OC(=O)C(O)(C1CCCC1)C1C=CC=CC=1,709.0,4.0,3.0,0.0,318.43700000000024,19.0,3.0,C[N+]1(C)CCC(C1)OC(=O)C(O)(C1CCCC1)C1C=CC=CC=1,2.8506462351830666,Glycopyrrolate bromide
C[N+]1(C)CCC(CC1)=C(C1C=CC=CC=1)C1C=CC=CC=1,1107.0,4.0,2.0,0.0,278.4190000000001,20.0,0.0,C[N+]1(C)CCC(CC1)=C(C1C=CC=CC=1)C1C=CC=CC=1,3.044147620878723,Diphemanil methylsulfate
C[N+]1(C)CCC2=CC(Cl)=CC=C12,447.0,4.0,2.0,0.0,182.674,10.0,0.0,C[N+]1(C)CCC2=CC(Cl)=CC=C12,2.6503075231319366,
C[N+]1(C)CCCCC1,367.0,2.0,2.0,0.0,114.212,7.0,0.0,C[N+]1(C)CCCCC1,2.5646660642520893,Mepiquat
C[N+]1(C)CCCCC1COC(=O)C(O)(C1C=CC=CC=1)C1C=CC=CC=1,5080.0,4.0,1.0,0.0,354.47,22.0,3.0,C[N+]1(C)CCCCC1COC(=O)C(O)(C1C=CC=CC=1)C1C=CC=CC=1,3.7058637122839193,Bevonium
C[N+]1(C)CCN(CC(O)(C2CCCCC2)C2C=CC=CC=2)CC1,958.0,4.0,3.0,0.0,317.49700000000024,20.0,1.0,C[N+]1(C)CCN(CC(O)(C2CCCCC2)C2C=CC=CC=2)CC1,2.9813655090785445,Hexocyclium
C[N+]1(CC(O)COC2=CC=CC3N=C([O-])CCC=32)CCC(CC1)C1C=CC=CC=1,1000.0,4.0,1.0,0.0,394.51500000000016,24.0,3.0,C[N+]1(CC(O)COC2=CC=CC3N=C([O-])CCC=32)CCC(CC1)C1C=CC=CC=1,3.0,
C[N+]1(CC2=C3OCOC3=CC=C2C2C1C1C=C3OCOC3=CC=1CC2O)CCNP(=S)(NCC[N+]1(C)CC2=C3OCOC3=CC=C2C2C1C1C=C3OCOC3=CC=1CC2O)NCC[N+]1(C)CC2=C3OCOC3=CC=C2C2C1C1C=C3OCOC3=CC=1CC2O,1000.0,0.0,0.0,4.0,1252.3699999999997,66.0,15.0,C[N+]1(CC2=C3OCOC3=CC=C2C2C1C1C=C3OCOC3=CC=1CC2O)CCNP(=S)(NCC[N+]1(C)CC2=C3OCOC3=CC=C2C2C1C1C=C3OCOC3=CC=1CC2O)NCC[N+]1(C)CC2=C3OCOC3=CC=C2C2C1C1C=C3OCOC3=CC=1CC2O,3.0,Ukrain
C[N+]1(CC2C(C1)C1CCC2C=C1)CC[N+]1(C)CCCC1,1806.0,4.0,3.0,0.0,276.468,18.0,0.0,C[N+]1(CC2C(C1)C1CCC2C=C1)CC[N+]1(C)CCCC1,3.256717745977487,
C[N+]1(CC2COC(O2)(C2C=CC=CC=2)C2C=CC=CC=2)CCCCC1,1820.0,4.0,2.0,0.0,338.4710000000003,22.0,2.0,C[N+]1(CC2COC(O2)(C2C=CC=CC=2)C2C=CC=CC=2)CCCCC1,3.2600713879850747,Anacolin
C[N+]1(CC2COC(O2)(C2CCCCC2)C2C=CC=CC=2)CCCCC1,494.0,4.0,2.0,0.0,344.51900000000023,22.0,2.0,C[N+]1(CC2COC(O2)(C2CCCCC2)C2C=CC=CC=2)CCCCC1,2.693726948923647,Oxapium
C[N+]1(CCF)C2CC(CC1CC2)OC(=O)C(O)(C1C=CC=CC=1)C1C=CC=CC=1,740.0,4.0,0.0,0.0,398.4980000000001,24.0,3.0,C[N+]1(CCF)C2CC(CC1CC2)OC(=O)C(O)(C1C=CC=CC=1)C1C=CC=CC=1,2.8692317197309762,Flutropium bromide
C[N+]1(CCN=C1CCCCCCCC=CCCCCCCCC)CCNC(=O)CCCCCCCC=CCCCCCCCC,10001.0,0.0,0.0,2.0,629.0949999999999,41.0,1.0,C[N+]1(CCN=C1CCCCCCCC=CCCCCCCCC)CCNC(=O)CCCCCCCC=CCCCCCCCC,4.000043427276863,"2-[(8Z)-Heptadec-8-en-1-yl]-1-methyl-1-{2-[(9Z)-octadec-9-enoylamino]ethyl}-4,5-dihydro-1H-imidazol-1-ium methyl sulfate"
C[N+]1([O-])CCOCC1,9424.0,1.0,2.0,0.0,117.148,5.0,2.0,C[N+]1([O-])CCOCC1,3.9742352774430265,4-Methylmorpholine 4-oxide
C[N+]12CC(CCC1CCCC2)=C(C1=CC=CS1)C1=CC=CS1,1177.0,4.0,2.0,1.0,330.5420000000001,19.0,0.0,C[N+]12CC(CCC1CCCC2)=C(C1=CC=CS1)C1=CC=CS1,3.0707764628434346,Tiquizium
C[N+]1=C(/C=C/C2C=CC(=CC=2)N(CC)CC)C(C)(C)C2C=CC=CC1=2,215.0,4.0,1.0,1.0,333.4990000000001,23.0,0.0,C[N+]1=C(/C=C/C2C=CC(=CC=2)N(CC)CC)C(C)(C)C2C=CC=CC1=2,2.3324384599156054,"3H-Indolium, 2-[2-[4-(diethylamino)phenyl]ethenyl]-1,3,3-trimethyl-, phosphate (1:1)"
C[N+]1=CC(=CC=C1)C([O-])=O,7500.0,0.0,2.0,0.0,137.138,7.0,2.0,C[N+]1=CC(=CC=C1)C([O-])=O,3.8750612633917,Trigonelline
C[N+]1=CC2C3OCOC=3C=CC=2C2C=CC3C=C4OCOC4=CC=3C1=2,1660.0,4.0,3.0,0.0,332.33500000000015,20.0,4.0,C[N+]1=CC2C3OCOC=3C=CC=2C2C=CC3C=C4OCOC4=CC=3C1=2,3.220108088040055,Sanguinarine
C[N+]1C2=CC=CC=C2C(C)(C)C=1/C=C/C1C=CC(=CC=1)N(CC)CC,326.0,4.0,1.0,1.0,333.4990000000001,23.0,0.0,C[N+]1C2=CC=CC=C2C(C)(C)C=1/C=C/C1C=CC(=CC=1)N(CC)CC,2.513217600067939,C.I.Basic Violet 16
C[N+]1C=C2C3OCOC=3C=CC2=C2C=CC3=CC4OCOC=4C=C3C=12,1658.0,4.0,3.0,0.0,332.33500000000015,20.0,4.0,C[N+]1C=C2C3OCOC=3C=CC2=C2C=CC3=CC4OCOC=4C=C3C=12,3.2195845262142546,
C[N+]1C=CC(=CC=1)C1C=CC=CC=1,35.0,4.0,2.0,0.0,170.235,12.0,0.0,C[N+]1C=CC(=CC=1)C1C=CC=CC=1,1.5440680443502757,Cyperquat chloride
C[N+]1C=CC(=CC=1)C1C=C[N+](C)=CC=1,158.25,4.0,2.0,0.0,186.258,12.0,0.0,C[N+]1C=CC(=CC=1)C1C=C[N+](C)=CC=1,2.1993437186893927,Paraquat dichloride
C[N+]1C=CC=CC=1,285.0,1.0,2.0,0.0,94.137,6.0,0.0,C[N+]1C=CC=CC=1,2.45484486000851,"Pyridinium, 1-methyl-, iodide (1:1)"
C[P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1,118.0,4.0,2.0,0.0,277.327,19.0,0.0,C[P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1,2.0718820073061255,Methyltriphenylphosphonium chloride
C[Se]C,2100.0,1.0,2.0,0.0,109.03,2.0,0.0,C[Se]C,3.322219294733919,"Methane, selenobis-"
C[SiH](C)O[SiH](C)C,4501.0,2.0,2.0,0.0,134.327,4.0,1.0,C[SiH](C)O[SiH](C)C,3.653309012938479,"1,1,3,3-Tetramethyldisiloxane"
C[SiH](O[Si](C)(C)C)O[Si](C)(C)C,3500.0,4.0,1.0,0.0,222.509,7.0,2.0,C[SiH](O[Si](C)(C)C)O[Si](C)(C)C,3.5440680443502757,"1,1,1,3,5,5,5-Heptamethyltrisiloxane"
C[SiH]1O[SiH](C)O[SiH](C)O[SiH](C)O1,3500.0,3.0,2.0,0.0,240.51199999999997,4.0,4.0,C[SiH]1O[SiH](C)O[SiH](C)O[SiH](C)O1,3.5440680443502757,CERAPP_56736
C[SiH]1O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O1,2751.0,3.0,3.0,0.0,300.64,5.0,5.0,C[SiH]1O[SiH](C)O[SiH](C)O[SiH](C)O[SiH](C)O1,3.4394905903896835,"Cyclopentasiloxane, 2,4,6,8,10-pentamethyl-"
C[Si](C)(C)C,2751.0,1.0,2.0,0.0,88.22599999999998,4.0,0.0,C[Si](C)(C)C,3.4394905903896835,Tetramethylsilane
C[Si](C)(C)C=C,1150.0,1.0,2.0,0.0,100.23699999999998,5.0,0.0,C[Si](C)(C)C=C,3.060697840353612,"Silane, ethenyltrimethyl-"
C[Si](C)(C)CC(O)=O,3000.0,2.0,2.0,0.0,132.235,5.0,2.0,C[Si](C)(C)CC(O)=O,3.4771212547196626,"Acetic acid, (trimethylsilyl)-"
C[Si](C)(C)CCC(O)=O,3000.0,3.0,2.0,0.0,146.262,6.0,2.0,C[Si](C)(C)CCC(O)=O,3.4771212547196626,3-(Trimethylsilyl)propionic acid
C[Si](C)(C)CCl,3500.0,1.0,2.0,0.0,122.671,4.0,0.0,C[Si](C)(C)CCl,3.5440680443502757,"Silane, (chloromethyl)trimethyl-"
C[Si](C)(C)N=C=N[Si](C)(C)C,1728.0,4.0,1.0,0.0,186.407,7.0,0.0,C[Si](C)(C)N=C=N[Si](C)(C)C,3.2375437381428744,"Silanamine, N,N'-methanetetraylbis[1,1,1-trimethyl-"
C[Si](C)(C)N[Si](C)(C)C,850.0,4.0,1.0,0.0,161.397,6.0,0.0,C[Si](C)(C)N[Si](C)(C)C,2.929418925714293,"Silanamine, 1,1,1-trimethyl-N-(trimethylsilyl)-, sodium salt"
C[Si](C)(C)O[Si](C)(C)C,7500.0,4.0,1.0,0.0,162.38099999999997,6.0,1.0,C[Si](C)(C)O[Si](C)(C)C,3.8750612633917,Hexamethyldisiloxane
C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,3500.0,4.0,1.0,0.0,310.69100000000003,10.0,3.0,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,3.5440680443502757,Decamethyltetrasiloxane
C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,3500.0,4.0,0.0,0.0,384.8460000000001,12.0,4.0,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,3.5440680443502757,Dodecamethylpentasiloxane
C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,3500.0,4.0,0.0,1.0,459.0010000000002,14.0,5.0,C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C,3.5440680443502757,"Hexasiloxane, tetradecamethyl-"
C[Si](C)(C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C1C=CC=CC=1,3500.0,4.0,0.0,0.0,372.7620000000001,15.0,3.0,C[Si](C)(C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C1C=CC=CC=1,3.5440680443502757,"1,1,1,5,5,5-Hexamethyl-3-phenyl-3-(trimethylsilyloxy)trisiloxane"
C[Si](C)(C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C,3500.0,4.0,0.0,0.0,384.8460000000002,12.0,4.0,C[Si](C)(C)O[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C,3.5440680443502757,Tetrakis(trimethylsiloxy)silane
C[Si](C)(C)[Si](C)(C)C,10001.0,3.0,2.0,0.0,146.38199999999998,6.0,0.0,C[Si](C)(C)[Si](C)(C)C,4.000043427276863,"Disilane, hexamethyl-"
C[Si](C)(C=C)N[Si](C)(C)C=C,847.0,4.0,1.0,0.0,185.419,8.0,0.0,C[Si](C)(C=C)N[Si](C)(C)C=C,2.9278834103307068,"Silanamine, 1-ethenyl-N-(ethenyldimethylsilyl)-1,1-dimethyl-"
C[Si](C)(C=C)O[Si](C)(C)C=C,7813.0,4.0,1.0,0.0,186.40299999999996,8.0,1.0,C[Si](C)(C=C)O[Si](C)(C)C=C,3.892817824309576,"1,3-Divinyl-1,1,3,3-tetramethyl disiloxane"
C[Si](C)(C=C)O[Si](O[Si](C)(C)C=C)(O[Si](C)(C)C=C)O[Si](C)(C)C=C,6251.0,4.0,0.0,1.0,432.89000000000016,16.0,4.0,C[Si](C)(C=C)O[Si](O[Si](C)(C)C=C)(O[Si](C)(C)C=C)O[Si](C)(C)C=C,3.7959494989028033,"Trisiloxane, 1,5-diethenyl-3,3-bis[(ethenyldimethylsilyl)oxy]-1,1,5,5-tetramethyl-"
C[Si](C)(Cl)C=C,1550.0,1.0,2.0,0.0,120.655,4.0,0.0,C[Si](C)(Cl)C=C,3.1903316981702914,Chloro(dimethyl)vinylsilane
C[Si](C)(Cl)CCl,1100.0,1.0,2.0,0.0,143.089,3.0,0.0,C[Si](C)(Cl)CCl,3.041392685158225,"Silane, chloro(chloromethyl)dimethyl-"
C[Si](C)(Cl)Cl,642.0,1.0,2.0,0.0,129.062,2.0,0.0,C[Si](C)(Cl)Cl,2.807535028068853,Dimethyldichlorosilane
C[Si](C)(NC(C)CC)NC(C)CC,907.0,4.0,1.0,0.0,202.418,10.0,0.0,C[Si](C)(NC(C)CC)NC(C)CC,2.957607287060095,"Silanediamine, 1,1-dimethyl-N,N'-bis(1-methylpropyl)-"
C[Si](C)(OCC)OCC,9527.0,3.0,1.0,0.0,148.27799999999996,6.0,2.0,C[Si](C)(OCC)OCC,3.9789561652175913,Diethoxy(dimethyl)silane
C[Si](C)(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,3500.0,0.0,0.0,2.0,597.1420000000002,38.0,2.0,C[Si](C)(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC,3.5440680443502757,"Silane, dimethylbis(octadecyloxy)-"
C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C,2751.0,4.0,1.0,0.0,236.53599999999997,8.0,2.0,C[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C,3.4394905903896835,Octamethyltrisiloxane
C[Si](C)(O[Si](C)(C1C=CC=CC=1)C1C=CC=CC=1)O[Si](C)(C1C=CC=CC=1)C1C=CC=CC=1,3500.0,2.0,0.0,0.0,484.82000000000016,28.0,2.0,C[Si](C)(O[Si](C)(C1C=CC=CC=1)C1C=CC=CC=1)O[Si](C)(C1C=CC=CC=1)C1C=CC=CC=1,3.5440680443502757,"1,3,3,5-Tetramethyl-1,1,5,5-tetraphenyltrisiloxane"
C[Si](C=C)(N(CC)C(C)=O)N(CC)C(C)=O,1150.0,4.0,1.0,0.0,242.39499999999995,11.0,2.0,C[Si](C=C)(N(CC)C(C)=O)N(CC)C(C)=O,3.060697840353612,"Acetamide, N,N'-(ethenylmethylsilylene)bis[N-ethyl-"
C[Si](CCCCN)(OCC)OCC,6500.0,4.0,1.0,0.0,205.3739999999999,9.0,2.0,C[Si](CCCCN)(OCC)OCC,3.8129133566428557,
C[Si](CCCCl)(OCC)OCC,2751.0,4.0,1.0,0.0,210.77699999999996,8.0,2.0,C[Si](CCCCl)(OCC)OCC,3.4394905903896835,(3-Chloropropyl)diethoxymethylsilane
C[Si](CCCN)(OCC)OCC,2751.0,4.0,1.0,0.0,191.34699999999995,8.0,2.0,C[Si](CCCN)(OCC)OCC,3.4394905903896835,3-[Diethoxy(methyl)silyl]propan-1-amine
C[Si](CCCNCCN)(OC)OC,1241.0,4.0,1.0,0.0,206.36199999999997,8.0,2.0,C[Si](CCCNCCN)(OC)OC,3.09377178149873,"N-{3-[Dimethoxy(methyl)silyl]propyl}ethane-1,2-diamine"
C[Si](CCCOCC1CO1)(OCC)OCC,3500.0,4.0,1.0,0.0,248.39499999999992,11.0,4.0,C[Si](CCCOCC1CO1)(OCC)OCC,3.5440680443502757,Diethoxy(methyl)[3-(oxiran-2-ylmethoxy)propyl]silane
C[Si](CN1C=NC=N1)(C1C=CC(F)=CC=1)C1C=CC(F)=CC=1,1547.0,4.0,3.0,0.0,315.399,16.0,0.0,C[Si](CN1C=NC=N1)(C1C=CC(F)=CC=1)C1C=CC(F)=CC=1,3.1894903136993675,Flusilazole
C[Si](Cl)(Cl)C1C=CC=CC=1,1550.0,3.0,2.0,0.0,191.13300000000004,7.0,0.0,C[Si](Cl)(Cl)C1C=CC=CC=1,3.1903316981702914,Dichloromethylphenylsilane
C[Si](Cl)(Cl)CCC(F)(F)F,1049.0,2.0,2.0,0.0,211.08599999999996,4.0,0.0,C[Si](Cl)(Cl)CCC(F)(F)F,3.020775488193558,"Silane, dichloromethyl(3,3,3-trifluoropropyl)-"
C[Si](Cl)(Cl)CCCC#N,650.0,3.0,2.0,0.0,182.126,5.0,0.0,C[Si](Cl)(Cl)CCCC#N,2.8129133566428557,4-(Dichloromethylsilyl)butyronitrile
C[Si](Cl)(Cl)CCCCl,236.0,3.0,2.0,0.0,191.561,4.0,0.0,C[Si](Cl)(Cl)CCCCl,2.3729120029701067,"Silane, dichloro(3-chloropropyl)methyl-"
C[Si](Cl)(Cl)CC[Si](C)(Cl)Cl,112.0,4.0,2.0,0.0,256.10799999999995,4.0,0.0,C[Si](Cl)(Cl)CC[Si](C)(Cl)Cl,2.0492180226701815,"Silane, 1,1'-(1,2-ethanediyl)bis[1,1-dichloro-1-methyl-"
C[Si](Cl)(Cl)CCl,2200.0,2.0,2.0,0.0,163.507,2.0,0.0,C[Si](Cl)(Cl)CCl,3.342422680822206,Dichloro(chloromethyl)methylsilane
C[Si](Cl)(Cl)Cl,800.0,1.0,2.0,0.0,149.48000000000002,1.0,0.0,C[Si](Cl)(Cl)Cl,2.9030899869919438,Methyltrichlorosilane
C[Si](NC(C)CC)(NC(C)CC)NC(C)CC,1280.0,4.0,2.0,0.0,259.514,13.0,0.0,C[Si](NC(C)CC)(NC(C)CC)NC(C)CC,3.1072099696478683,"Silanetriamine, 1-methyl-N,N',N''-tris(1-methylpropyl)-"
C[Si](NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1,637.0,4.0,2.0,0.0,337.62800000000016,19.0,0.0,C[Si](NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1,2.8041394323353503,"N,N',N''-Tricyclohexyl-1-methylsilanetriamine"
C[Si](NCCCC)(NCCCC)NCCCC,1150.0,4.0,2.0,0.0,259.51399999999995,13.0,0.0,C[Si](NCCCC)(NCCCC)NCCCC,3.060697840353612,"Silanetriamine, N,N',N''-tributyl-1-methyl-"
C[Si](OC(C)=O)(OC(C)=O)OC(C)=O,1630.0,4.0,2.0,0.0,220.25299999999996,7.0,6.0,C[Si](OC(C)=O)(OC(C)=O)OC(C)=O,3.2121876044039577,Methylsilanetriyl triacetate
C[Si](OC)(OC)C1C=CC=CC=1,892.0,4.0,2.0,0.0,182.295,9.0,2.0,C[Si](OC)(OC)C1C=CC=CC=1,2.950364854376123,Dimethoxy(methyl)phenylsilane
C[Si](OC)(OC)OC,10001.0,2.0,2.0,0.0,136.22299999999998,4.0,3.0,C[Si](OC)(OC)OC,4.000043427276863,Trimethoxymethylsilane
C[Si](OCC)(OCC)OCC,2007.0,4.0,1.0,0.0,178.30399999999997,7.0,3.0,C[Si](OCC)(OCC)OCC,3.3025473724874854,Triethoxymethylsilane
C[Si](ON=C(C)CC)(ON=C(C)CC)ON=C(C)CC,2463.0,4.0,1.0,0.0,301.4630000000001,13.0,3.0,C[Si](ON=C(C)CC)(ON=C(C)CC)ON=C(C)CC,3.3914644118391033,"2-Butanone, O,O',O''-(methylsilylidyne)trioxime"
C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C,3500.0,4.0,1.0,0.0,310.69100000000003,10.0,3.0,C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C,3.5440680443502757,Methyltris(trimethylsiloxy)silane
C[Si](O[Si](C)(C1C=CC=CC=1)C1C=CC=CC=1)(O[Si](C)(C1C=CC=CC=1)C1C=CC=CC=1)C1C=CC=CC=1,3500.0,1.0,0.0,1.0,546.8910000000003,33.0,2.0,C[Si](O[Si](C)(C1C=CC=CC=1)C1C=CC=CC=1)(O[Si](C)(C1C=CC=CC=1)C1C=CC=CC=1)C1C=CC=CC=1,3.5440680443502757,"Trisiloxane, 1,3,5-trimethyl-1,1,3,5,5-pentaphenyl-"
C[Si]1(C)N[Si](C)(C)N[Si](C)(C)N1,500.0,4.0,2.0,0.0,219.513,6.0,0.0,C[Si]1(C)N[Si](C)(C)N[Si](C)(C)N1,2.6989700043360187,"2,2,4,4,6,6-Hexamethyl-1,3,5,2,4,6-triazatrisilinane"
C[Si]1(C)N[Si](C)(C)N[Si](C)(C)N[Si](C)(C)N1,100.0,4.0,2.0,0.0,292.684,8.0,0.0,C[Si]1(C)N[Si](C)(C)N[Si](C)(C)N[Si](C)(C)N1,2.0,"2,2,4,4,6,6,8,8-Octamethylcyclotetrasilazane"
C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1,10001.0,4.0,2.0,0.0,296.62,8.0,4.0,C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1,4.000043427276863,Octamethylcyclotetrasiloxane
C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1,10001.0,4.0,0.0,0.0,370.7750000000001,10.0,5.0,C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1,4.000043427276863,Decamethylcyclopentasiloxane
C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1,10001.0,4.0,0.0,0.0,444.9300000000002,12.0,6.0,C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1,4.000043427276863,Dodecamethylcyclohexasiloxane
C[Si]1(C=C)O[Si](C)(C=C)O[Si](C)(C=C)O[Si](C)(C=C)O1,10001.0,4.0,2.0,0.0,344.66400000000004,12.0,4.0,C[Si]1(C=C)O[Si](C)(C=C)O[Si](C)(C=C)O[Si](C)(C=C)O1,4.000043427276863,"1,3,5,7-Tetramethyl-1,3,5,7-tetravinylcyclotetrasiloxane"
C[Si]1(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O1,3540.0,3.0,0.0,1.0,468.5370000000001,12.0,3.0,C[Si]1(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O1,3.5490032620257876,"2,4,6-Trimethyl-2,4,6-tris(3,3,3-trifluoropropyl)cyclotrisiloxane"
C[n]1c(C)c(CN2CCOC(C2C)C2C=CC=CC=2)c(=O)[n]1C1C=CC=CC=1,250.0,4.0,2.0,0.0,377.4880000000001,23.0,2.0,C[n]1c(C)c(CN2CCOC(C2C)C2C=CC=CC=2)c(=O)[n]1C1C=CC=CC=1,2.3979400086720375,
C[n]1c(C)c(N=CC2=CC(=CC=C2)OC)c(=O)[n]1C1C=CC=CC=1,5600.0,4.0,3.0,0.0,321.38000000000005,19.0,2.0,C[n]1c(C)c(N=CC2=CC(=CC=C2)OC)c(=O)[n]1C1C=CC=CC=1,3.7481880270062002,
C[n]1c(C)c(N=CC2C=CC(=CC=2)OC)c(=O)[n]1C1C=CC=CC=1,10000.0,4.0,3.0,0.0,321.38000000000005,19.0,2.0,C[n]1c(C)c(N=CC2C=CC(=CC=2)OC)c(=O)[n]1C1C=CC=CC=1,4.0,
Cc1cc(CC(C)CC(C)(C)C)oc(=O)c1,1481.0,4.0,1.0,0.0,222.32799999999995,14.0,2.0,Cc1cc(CC(C)CC(C)(C)C)oc(=O)c1,3.1705550585212086,"4-methyl-6-(2,4,4-trimethylpentyl)-2H-pyran-2-one"
ClC(Br)Br,517.0,2.0,2.0,0.0,208.28,1.0,0.0,ClC(Br)Br,2.7134905430939424,Chlorodibromomethane
ClC(CCl)=CCCl,224.0,1.0,2.0,0.0,159.443,4.0,0.0,ClC(CCl)=CCCl,2.3502480183341627,
ClC(CCl)CCl,179.0,1.0,2.0,0.0,147.43200000000002,3.0,0.0,ClC(CCl)CCl,2.2528530309798933,"1,2,3-Trichloropropane"
ClC(Cl)(Br)CBr,205.0,2.0,3.0,0.0,256.75199999999995,2.0,0.0,ClC(Cl)(Br)CBr,2.311753861055754,"Ethane, 1,2-dibromo-1,1-dichloro-"
ClC(Cl)(CCl)CCl,6300.0,2.0,2.0,0.0,181.877,3.0,0.0,ClC(Cl)(CCl)CCl,3.7993405494535817,"1,2,2,3-Tetrachloropropane"
ClC(Cl)(Cl)C(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1,90.25,3.0,1.0,1.0,354.491,14.0,0.0,ClC(Cl)(Cl)C(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1,1.9554472105776954,"p,p'-DDT"
ClC(Cl)(Cl)C(Cl)(Cl)Cl,6120.0,3.0,1.0,0.0,236.74,2.0,0.0,ClC(Cl)(Cl)C(Cl)(Cl)Cl,3.7867514221455614,Hexachloroethane
ClC(Cl)(Cl)C1C=C(C=CC=1)C(Cl)(Cl)Cl,2924.0,3.0,2.0,1.0,312.83799999999997,8.0,0.0,ClC(Cl)(Cl)C1C=C(C=CC=1)C(Cl)(Cl)Cl,3.465977368285823,Hexachlorometaxylol
ClC(Cl)(Cl)C1C=CC(=CC=1)C(Cl)(Cl)Cl,3200.0,3.0,2.0,1.0,312.838,8.0,0.0,ClC(Cl)(Cl)C1C=CC(=CC=1)C(Cl)(Cl)Cl,3.505149978319906,"1,4-Bis(trichloromethyl)benzene"
ClC(Cl)(Cl)C1C=CC=CC=1,1964.0,3.0,1.0,0.0,195.47600000000003,7.0,0.0,ClC(Cl)(Cl)C1C=CC=CC=1,3.2931414834509307,Benzotrichloride
ClC(Cl)(Cl)CC1(CO1)C1C=C(Cl)C=C(Cl)C=1,1500.0,4.0,2.0,0.0,320.43000000000006,10.0,1.0,ClC(Cl)(Cl)CC1(CO1)C1C=C(Cl)C=C(Cl)C=1,3.1760912590556813,Tridiphane
ClC(Cl)(Cl)CC1CO1,1500.0,2.0,2.0,0.0,175.44199999999998,4.0,1.0,ClC(Cl)(Cl)CC1CO1,3.1760912590556813,"1,2-Epoxy-4,4,4-trichlorobutane"
ClC(Cl)(Cl)Cl,3026.0,1.0,2.0,0.0,153.823,1.0,0.0,ClC(Cl)(Cl)Cl,3.4808689236871677,Carbon tetrachloride
ClC(Cl)(Cl)SN1C=CC=N1,350.0,3.0,2.0,0.0,217.50800000000004,4.0,0.0,ClC(Cl)(Cl)SN1C=CC=N1,2.5440680443502757,"Pyrazole, 1-((trichloromethyl)thio)-"
ClC(Cl)=C(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1,880.0,3.0,2.0,1.0,318.0300000000001,14.0,0.0,ClC(Cl)=C(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1,2.9444826721501687,"p,p'-DDE"
ClC(Cl)=C(C1C=CC=CC=1Cl)C1C=CC(Cl)=CC=1,880.0,3.0,2.0,1.0,318.0300000000001,14.0,0.0,ClC(Cl)=C(C1C=CC=CC=1Cl)C1C=CC(Cl)=CC=1,2.9444826721501687,"o,p'-DDE"
ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl,90.0,3.0,2.0,0.0,260.762,4.0,0.0,ClC(Cl)=C(Cl)C(Cl)=C(Cl)Cl,1.954242509439325,"Hexachloro-1,3-butadiene"
ClC(Cl)=C(Cl)CCl,350.0,2.0,2.0,0.0,179.86100000000002,3.0,0.0,ClC(Cl)=C(Cl)CCl,2.5440680443502757,"1,1,2,3-Tetrachloropropene"
ClC(Cl)=C(Cl)Cl,3212.0,2.0,2.0,0.0,165.834,2.0,0.0,ClC(Cl)=C(Cl)Cl,3.5067755366066433,Tetrachloroethylene
ClC(Cl)Br,969.0,2.0,2.0,0.0,163.829,1.0,0.0,ClC(Cl)Br,2.986323777050765,Bromodichloromethane
ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1,1346.0,3.0,2.0,1.0,320.04600000000005,14.0,0.0,ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1,3.1290450598879582,"p,p'-DDD"
ClC(Cl)C(C1C=CC=CC=1Cl)C1=CC=C(Cl)C=C1,7500.0,3.0,2.0,1.0,320.04600000000005,14.0,0.0,ClC(Cl)C(C1C=CC=CC=1Cl)C1=CC=C(Cl)C=C1,3.8750612633917,"o,p'-DDD"
ClC(Cl)C(Cl)(Cl)Cl,920.0,2.0,2.0,0.0,202.295,2.0,0.0,ClC(Cl)C(Cl)(Cl)Cl,2.963787827345555,Pentachloroethane
ClC(Cl)C(Cl)C(Cl)C(Cl)Cl,400.0,3.0,2.0,0.0,264.794,4.0,0.0,ClC(Cl)C(Cl)C(Cl)C(Cl)Cl,2.6020599913279625,
ClC(Cl)C(Cl)Cl,238.0,2.0,2.0,0.0,167.85,2.0,0.0,ClC(Cl)C(Cl)Cl,2.376576957056512,"1,1,2,2-Tetrachloroethane"
ClC(Cl)C1=CC(=CC=C1)OC1C=CC=CC=1,6000.0,4.0,2.0,0.0,253.128,13.0,1.0,ClC(Cl)C1=CC(=CC=C1)OC1C=CC=CC=1,3.7781512503836434,"Benzene, 1-(dichloromethyl)-3-phenoxy-"
ClC(Cl)C1=NC(Cl)=C(Cl)C(Cl)=C1Cl,1785.0,3.0,2.0,1.0,299.799,6.0,0.0,ClC(Cl)C1=NC(Cl)=C(Cl)C(Cl)=C1Cl,3.251638220448212,"Pyridine, 2-methyl-, hexachloro deriv."
ClC(Cl)C1C=CC=CC=1,3249.5,2.0,2.0,0.0,161.031,7.0,0.0,ClC(Cl)C1C=CC=CC=1,3.51181654130309,Benzal chloride
ClC(Cl)CC1C=CC=CC=1,5500.0,3.0,2.0,0.0,175.05800000000002,8.0,0.0,ClC(Cl)CC1C=CC=CC=1,3.7403626894942437,
ClC(Cl)Cl,1091.0,1.0,2.0,0.0,119.378,1.0,0.0,ClC(Cl)Cl,3.037824750588342,Chloroform
ClC1(C(Cl)=C(Cl)C(Cl)=C1Cl)C1(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl,1935.0,3.0,1.0,1.0,474.6400000000002,10.0,0.0,ClC1(C(Cl)=C(Cl)C(Cl)=C1Cl)C1(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl,3.28668096935493,Dienochlor
ClC1(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl,953.0,3.0,2.0,0.0,272.773,5.0,0.0,ClC1(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl,2.979092900638326,Hexachlorocyclopentadiene
ClC1(Cl)C2(Cl)C(CCl)C(CCl)C1(Cl)C(Cl)=C2Cl,200.0,4.0,1.0,1.0,397.7710000000001,9.0,0.0,ClC1(Cl)C2(Cl)C(CCl)C(CCl)C1(Cl)C(Cl)=C2Cl,2.3010299956639813,Chlorbicyclen
ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C2(Cl)C2(Cl)C(Cl)(C3(Cl)C12Cl)C4(Cl)Cl,399.0,2.0,1.0,2.0,545.5460000000003,10.0,0.0,ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C2(Cl)C2(Cl)C(Cl)(C3(Cl)C12Cl)C4(Cl)Cl,2.6009728956867484,Mirex
ClC1(Cl)C2(Cl)C3C(C(Cl)C(Cl)C3Cl)C1(Cl)C(Cl)=C2Cl,500.0,3.0,1.0,1.0,444.2270000000001,10.0,0.0,ClC1(Cl)C2(Cl)C3C(C(Cl)C(Cl)C3Cl)C1(Cl)C(Cl)=C2Cl,2.6989700043360187,trans-Nonachlor
ClC1(Cl)C2(Cl)C3C(C(Cl)OC3Cl)C1(Cl)C(Cl)=C2Cl,6.6,4.0,1.0,1.0,411.75400000000013,9.0,1.0,ClC1(Cl)C2(Cl)C3C(C(Cl)OC3Cl)C1(Cl)C(Cl)=C2Cl,0.8195439355418687,Isobenzan
ClC1(Cl)C2(Cl)C3C(C4OC4(Cl)C3Cl)C1(Cl)C(Cl)=C2Cl,457.0,4.0,1.0,1.0,423.7650000000001,10.0,1.0,ClC1(Cl)C2(Cl)C3C(C4OC4(Cl)C3Cl)C1(Cl)C(Cl)=C2Cl,2.6599162000698504,(+/-)-Oxychlordane
ClC1(Cl)C2(Cl)C3C4CC(C=C4)C3C1(Cl)C(Cl)=C2Cl,7.0,4.0,1.0,1.0,364.914,12.0,0.0,ClC1(Cl)C2(Cl)C3C4CC(C=C4)C3C1(Cl)C(Cl)=C2Cl,0.8450980400142568,Isodrin
ClC1(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C(Cl)=C2Cl,15.0,4.0,1.0,0.0,389.3200000000001,10.0,1.0,ClC1(Cl)C2(Cl)C3C4OC4C(Cl)C3C1(Cl)C(Cl)=C2Cl,1.1760912590556813,Heptachlor epoxide
ClC1(Cl)C2(Cl)C3C=CC(Cl)C3C1(Cl)C(Cl)=C2Cl,100.0,4.0,1.0,1.0,373.321,10.0,0.0,ClC1(Cl)C2(Cl)C3C=CC(Cl)C3C1(Cl)C(Cl)=C2Cl,2.0,Heptachlor
ClC1(Cl)C2(Cl)C3CCC4C(CCC3C1(Cl)C(Cl)=C2Cl)C1(Cl)C(Cl)=C(Cl)C4(Cl)C1(Cl)Cl,10001.0,1.0,1.0,2.0,653.73,18.0,0.0,ClC1(Cl)C2(Cl)C3CCC4C(CCC3C1(Cl)C(Cl)=C2Cl)C1(Cl)C(Cl)=C(Cl)C4(Cl)C1(Cl)Cl,4.000043427276863,"1,4:7,10-Dimethanodibenzo[a,e]cyclooctene, 1,2,3,4,7,8,9,10,13,13,14,14-dodecachloro-1,4,4a,5,6,6a,7,10,10a,11,12,12a-dodecahydro-"
ClC1(Cl)C2(Cl)C3COCC3C1(Cl)C(Cl)=C2Cl,10001.0,4.0,2.0,0.0,342.86400000000003,9.0,1.0,ClC1(Cl)C2(Cl)C3COCC3C1(Cl)C(Cl)=C2Cl,4.000043427276863,Endosulfan ether
ClC1(Cl)C2(Cl)CC(CBr)C1(Cl)C(Cl)=C2Cl,10001.0,4.0,1.0,1.0,393.7500000000001,8.0,0.0,ClC1(Cl)C2(Cl)CC(CBr)C1(Cl)C(Cl)=C2Cl,4.000043427276863,Bromociclen
ClC12C3(Cl)C4C1(Cl)C(Cl)(Cl)C1(Cl)C4(Cl)C(Cl)(C21Cl)C3(Cl)Cl,200.0,2.0,1.0,2.0,511.1010000000002,10.0,0.0,ClC12C3(Cl)C4C1(Cl)C(Cl)(Cl)C1(Cl)C4(Cl)C(Cl)(C21Cl)C3(Cl)Cl,2.3010299956639813,Photomirex
ClC1=C(Cl)C2OC3C=C(Cl)C(Cl)=CC=3C=2C=C1Cl,0.92,3.0,2.0,1.0,340.4200000000001,12.0,1.0,ClC1=C(Cl)C2OC3C=C(Cl)C(Cl)=CC=3C=2C=C1Cl,-0.036212172654444715,"2,3,4,7,8-Pentachlorodibenzofuran"
ClC1=C(Cl)SC(Cl)=C1Cl,70.0,3.0,1.0,0.0,221.923,4.0,0.0,ClC1=C(Cl)SC(Cl)=C1Cl,1.845098040014257,Tetrachlorothiophene
ClC1=CC(=CC=C1Cl)C(Cl)(Cl)Cl,1511.0,3.0,2.0,0.0,264.366,7.0,0.0,ClC1=CC(=CC=C1Cl)C(Cl)(Cl)Cl,3.1792644643390253,"1,2-Dichloro-4-(trichloromethyl)benzene"
ClC1=CC(Cl)=C(C=C1)C(CN1C=NC=C1)OCC1C=CC(Cl)=CC=1,668.0,3.0,1.0,1.0,381.69000000000005,18.0,1.0,ClC1=CC(Cl)=C(C=C1)C(CN1C=NC=C1)OCC1C=CC(Cl)=CC=1,2.824776462475546,Econazole nitrate
ClC1=CC(Cl)=C(C=C1)C(CN1C=NC=C1)OCC1C=CSC=1Cl,770.0,3.0,1.0,1.0,387.7190000000001,16.0,1.0,ClC1=CC(Cl)=C(C=C1)C(CN1C=NC=C1)OCC1C=CSC=1Cl,2.886490725172482,Tioconazole
ClC1=CC(Cl)=C(C=C1)C(Cl)(Cl)Cl,1504.0,3.0,2.0,0.0,264.366,7.0,0.0,ClC1=CC(Cl)=C(C=C1)C(Cl)(Cl)Cl,3.1772478362556233,"2,4-Dichloro-1-(trichloromethyl)benzene"
ClC1=CC(Cl)=C(C=C1)C1(CC(Br)CO1)CN1C=NC=N1,346.5,4.0,1.0,0.0,377.0690000000001,13.0,1.0,ClC1=CC(Cl)=C(C=C1)C1(CC(Br)CO1)CN1C=NC=N1,2.5397032389478253,Bromuconazole
ClC1=CC(Cl)=C(C=C1)C1(CN2C=NC=N2)OCCO1,308.0,4.0,3.0,0.0,300.145,12.0,2.0,ClC1=CC(Cl)=C(C=C1)C1(CN2C=NC=N2)OCCO1,2.4885507165004443,Azaconazole
ClC1=CC(Cl)=C(C=C1)N=C(CN1C=NC=N1)SCC1C=CC(Cl)=CC=1,2800.0,3.0,1.0,1.0,411.7450000000001,17.0,0.0,ClC1=CC(Cl)=C(C=C1)N=C(CN1C=NC=N1)SCC1C=CC(Cl)=CC=1,3.4471580313422194,Imibenconazole
ClC1=CC(Cl)=C(Cl)C(Cl)=C1C1C(Cl)=C(Cl)C(C2=CC(Cl)=C(Cl)C=C2Cl)=C(Cl)C=1Cl,10001.0,1.0,1.0,2.0,609.2050000000002,18.0,0.0,ClC1=CC(Cl)=C(Cl)C(Cl)=C1C1C(Cl)=C(Cl)C(C2=CC(Cl)=C(Cl)C=C2Cl)=C(Cl)C=1Cl,4.000043427276863,
ClC1=CC(Cl)=C(Cl)C(Cl)=C1Cl,1080.0,3.0,1.0,0.0,250.339,6.0,0.0,ClC1=CC(Cl)=C(Cl)C(Cl)=C1Cl,3.03342375548695,Pentachlorobenzene
ClC1=CC(Cl)=C(Cl)C=C1,884.0,3.0,1.0,0.0,181.449,6.0,0.0,ClC1=CC(Cl)=C(Cl)C=C1,2.946452265013073,"1,2,4-Trichlorobenzene"
ClC1=CC(Cl)=C(Cl)N=C1Cl,1240.0,3.0,1.0,0.0,216.882,5.0,0.0,ClC1=CC(Cl)=C(Cl)N=C1Cl,3.093421685162235,"2,3,5,6-Tetrachloropyridine"
ClC1=CC(Cl)=CC=C1,790.0,1.0,2.0,0.0,147.004,6.0,0.0,ClC1=CC(Cl)=CC=C1,2.8976270912904414,"1,3-Dichlorobenzene"
ClC1=CC(Cl)=CC=C1C(CN1C=NC=C1)=NOCC1=CC=C(Cl)C=C1Cl,2458.0,3.0,1.0,1.0,429.1340000000001,18.0,1.0,ClC1=CC(Cl)=CC=C1C(CN1C=NC=C1)=NOCC1=CC=C(Cl)C=C1Cl,3.390581878550435,Oxiconazole nitrate
ClC1=CC2C3N=C(N=C4NC(N=C5N=C(N=C6NC(N=3)C3=CC(Cl)=CC=C36)C3=CC=C(Cl)C=C35)C3=CC=C(Cl)C=C34)C=2C=C1,7500.0,1.0,1.0,2.0,654.3480000000001,32.0,0.0,ClC1=CC2C3N=C(N=C4NC(N=C5N=C(N=C6NC(N=3)C3=CC(Cl)=CC=C36)C3=CC=C(Cl)C=C35)C3=CC=C(Cl)C=C34)C=2C=C1,3.8750612633917,"Copper(II) (2,9,16,23-tetrachlorophthalocyaninato)"
ClC1=CC2OC3C=C(Cl)C(Cl)=C(Cl)C=3OC=2C(Cl)=C1Cl,1.2,3.0,1.0,1.0,390.86400000000015,12.0,2.0,ClC1=CC2OC3C=C(Cl)C(Cl)=C(Cl)C=3OC=2C(Cl)=C1Cl,0.07918124604762482,"1,2,3,7,8,9-Hexachlorodibenzo-p-dioxin"
ClC1=CC2OC3C=C(Cl)C(Cl)=CC=3OC=2C=C1Cl,0.03,3.0,2.0,1.0,321.97400000000005,12.0,2.0,ClC1=CC2OC3C=C(Cl)C(Cl)=CC=3OC=2C=C1Cl,-1.5228787452803376,"2,3,7,8-Tetrachlorodibenzo-p-dioxin"
ClC1=CC=C(C=C1)N1N=NC2C3CC(C12)C1N=NC13,261.0,4.0,3.0,0.0,273.72700000000003,13.0,0.0,ClC1=CC=C(C=C1)N1N=NC2C3CC(C12)C1N=NC13,2.416640507338281,
ClC1=CC=C(C=C1)[Si]12OCCN(CCO1)CCO2,520.0,4.0,3.0,0.0,285.80299999999994,12.0,3.0,ClC1=CC=C(C=C1)[Si]12OCCN(CCO1)CCO2,2.716003343634799,1-(4-Chlorophenyl)silatrane
ClC1=CC=C(C=C1Cl)N=NC1=CC(Cl)=C(Cl)C=C1,7500.0,3.0,2.0,1.0,320.0060000000001,12.0,0.0,ClC1=CC=C(C=C1Cl)N=NC1=CC(Cl)=C(Cl)C=C1,3.8750612633917,"3,3',4,4'-Tetrachloroazobenzene"
ClC1=CC=C(CN2C3C=CC=CC=3N=C2CN2CCCC2)C=C1,1950.0,4.0,2.0,0.0,325.84299999999996,19.0,0.0,ClC1=CC=C(CN2C3C=CC=CC=3N=C2CN2CCCC2)C=C1,3.290034611362518,Clemizole hydrochloride
ClC1=CC=C(CNC2=NCCS2)C=C1,80.0,4.0,2.0,0.0,226.73199999999997,10.0,0.0,ClC1=CC=C(CNC2=NCCS2)C=C1,1.9030899869919435,"Thiazolamine, 4,5-dihydro-N-((4-chlorophenyl)methyl)-"
ClC1=CC=C(CNC2CCCC2)C=C1,207.0,4.0,2.0,0.0,209.7199999999999,12.0,0.0,ClC1=CC=C(CNC2CCCC2)C=C1,2.315970345456918,4-Chloro-N-cyclopentylbenzylamine
ClC1=CC=C(Cl)N=N1,50.0,1.0,2.0,0.0,148.98,4.0,0.0,ClC1=CC=C(Cl)N=N1,1.6989700043360187,"Pyridazine, 3,6-dichloro-"
ClC1=CC=C(N=N1)N1CCN(CC=CC2C=CC=CC=2)CC1,483.0,4.0,3.0,0.0,314.8200000000001,17.0,0.0,ClC1=CC=C(N=N1)N1CCN(CC=CC2C=CC=CC=2)CC1,2.683947130751512,Lorcinadol
ClC1=CC=CC(=N1)C(Cl)(Cl)Cl,1072.0,3.0,1.0,0.0,230.909,6.0,0.0,ClC1=CC=CC(=N1)C(Cl)(Cl)Cl,3.030194785356751,Nitrapyrin
ClC1=CC=CC=C1C(Cl)(Cl)Cl,1380.0,3.0,1.0,0.0,229.921,7.0,0.0,ClC1=CC=CC=C1C(Cl)(Cl)Cl,3.1398790864012365,CERAPP_62438
ClC1=CC=CC=C1CN1CC2C=CSC=2CC1,1780.0,4.0,2.0,0.0,263.793,14.0,0.0,ClC1=CC=CC=C1CN1CC2C=CSC=2CC1,3.250420002308894,Ticlopidine hydrochloride
ClC1=CC=CC=C1NC1N=C(Cl)N=C(Cl)N=1,3600.0,4.0,2.0,0.0,275.526,9.0,0.0,ClC1=CC=CC=C1NC1N=C(Cl)N=C(Cl)N=1,3.5563025007672873,Anilazine
ClC1=NC(Cl)=C(Cl)C(Cl)=C1Cl,435.0,3.0,1.0,0.0,251.327,5.0,0.0,ClC1=NC(Cl)=C(Cl)C(Cl)=C1Cl,2.6384892569546374,Pentachloropyridine
ClC1=NC2=CC=CC=C2N=C1Cl,195.0,3.0,2.0,0.0,199.03999999999996,8.0,0.0,ClC1=NC2=CC=CC=C2N=C1Cl,2.290034611362518,"2,3-Dichloroquinoxaline"
ClC1C(Br)C(Br)C(Br)C(Br)C1Br,7500.0,2.0,1.0,1.0,513.087,6.0,0.0,ClC1C(Br)C(Br)C(Br)C(Br)C1Br,3.8750612633917,Pentabromochlorocyclohexane
ClC1C(Cl)=C(Cl)C(Cl)=C(Cl)C=1Cl,8375.0,2.0,2.0,1.0,284.784,6.0,0.0,ClC1C(Cl)=C(Cl)C(Cl)=C(Cl)C=1Cl,3.9229848157088827,Hexachlorobenzene
ClC1C2N=CC=NC=2C(Cl)=C(Cl)C=1Cl,6400.0,3.0,2.0,0.0,267.93,8.0,0.0,ClC1C2N=CC=NC=2C(Cl)=C(Cl)C=1Cl,3.806179973983887,Chlorquinox
ClC1C2OC3C(OC=2C(Cl)=C(Cl)C=1Cl)=C(Cl)C(Cl)=C(Cl)C=3Cl,1.0,3.0,1.0,1.0,459.7540000000002,12.0,2.0,ClC1C2OC3C(OC=2C(Cl)=C(Cl)C=1Cl)=C(Cl)C(Cl)=C(Cl)C=3Cl,0.0,Octachlorodibenzo-p-dioxin
ClC1C=C(C=CC=1)N1CCNCC1,142.0,4.0,2.0,0.0,196.681,10.0,0.0,ClC1C=C(C=CC=1)N1CCNCC1,2.1522883443830563,
ClC1C=C(C=CC=1)SC1C=CC=CC=1,1324.0,4.0,1.0,0.0,220.724,12.0,0.0,ClC1C=C(C=CC=1)SC1C=CC=CC=1,3.121887985103681,"Benzene, 1-chloro-3-(phenylthio)-"
ClC1C=C(C=CC=1)[Si]12OCCN(CCO1)CCO2,15.9,4.0,3.0,0.0,285.80299999999994,12.0,3.0,ClC1C=C(C=CC=1)[Si]12OCCN(CCO1)CCO2,1.2013971243204515,"2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(m-chlorophenyl)-"
ClC1C=C(Cl)C(=CC=1)C(CN1C=NC=C1)OCC1=CC=C(Cl)C=C1Cl,550.0,3.0,1.0,1.0,416.1350000000001,18.0,1.0,ClC1C=C(Cl)C(=CC=1)C(CN1C=NC=C1)OCC1=CC=C(Cl)C=C1Cl,2.7403626894942437,Miconazole
ClC1C=C(Cl)C(=CC=1)C(CN1C=NC=C1)SCC1C=CC(Cl)=CC=1,1741.0,3.0,1.0,1.0,397.75800000000015,18.0,0.0,ClC1C=C(Cl)C(=CC=1)C(CN1C=NC=C1)SCC1C=CC(Cl)=CC=1,3.240798771117331,Sulconazole
ClC1C=C(Cl)C(Cl)=CC=1Cl,1500.0,3.0,1.0,0.0,215.894,6.0,0.0,ClC1C=C(Cl)C(Cl)=CC=1Cl,3.1760912590556813,"1,2,4,5-Tetrachlorobenzene"
ClC1C=C(Cl)C=C(Cl)C=1,800.0,3.0,1.0,0.0,181.449,6.0,0.0,ClC1C=C(Cl)C=C(Cl)C=1,2.9030899869919438,"1,3,5-Trichlorobenzene"
ClC1C=C(Cl)C=C(Cl)C=1Cl,1727.0,3.0,1.0,0.0,215.894,6.0,0.0,ClC1C=C(Cl)C=C(Cl)C=1Cl,3.237292337567459,"1,2,3,5-Tetrachlorobenzene"
ClC1C=C(Cl)C=C(Cl)C=1N=NC(Cl)C1C=CC=CC=1,718.0,3.0,2.0,1.0,334.033,13.0,0.0,ClC1C=C(Cl)C=C(Cl)C=1N=NC(Cl)C1C=CC=CC=1,2.8561244442423,"N-(2,4,6-Trichlorophenyl)benzenecarbohydrazonoyl chloride"
ClC1C=C(Cl)N=C(N=1)C1C=CC=CC=1,7500.0,4.0,2.0,0.0,225.07800000000003,10.0,0.0,ClC1C=C(Cl)N=C(N=1)C1C=CC=CC=1,3.8750612633917,Fenclorim [ISO]
ClC1C=C(OCC#CI)C(Cl)=CC=1Cl,5600.0,3.0,1.0,0.0,361.393,9.0,1.0,ClC1C=C(OCC#CI)C(Cl)=CC=1Cl,3.7481880270062002,Haloprogin
ClC1C=C2C(=NC3C=CC=CC=3OC2=CC=1)N1CCNCC1,313.0,4.0,3.0,0.0,313.788,17.0,1.0,ClC1C=C2C(=NC3C=CC=CC=3OC2=CC=1)N1CCNCC1,2.4955443375464483,Amoxapine
ClC1C=C2C(=NCC3=NN=CN3C2=CC=1)C1C=CC=CC=1,2500.0,4.0,3.0,0.0,294.745,16.0,0.0,ClC1C=C2C(=NCC3=NN=CN3C2=CC=1)C1C=CC=CC=1,3.3979400086720375,Estazolam
ClC1C=C2C=C(OC2=C(Cl)C=1)C1(CN2C=NC=C2)OCCCO1,1000.0,4.0,1.0,0.0,353.2050000000002,16.0,3.0,ClC1C=C2C=C(OC2=C(Cl)C=1)C1(CN2C=NC=C2)OCCCO1,3.0,"1H-Imidazole, 1-((2-(5,7-dichloro-2-benzofuranyl)-1,3-dioxan-2-yl)methyl)-"
ClC1C=C2C=C(OC2=C(Cl)C=1)C1(CN2C=NC=N2)OCCO1,1000.0,4.0,3.0,0.0,340.16600000000017,14.0,3.0,ClC1C=C2C=C(OC2=C(Cl)C=1)C1(CN2C=NC=N2)OCCO1,3.0,"1H-1,2,4-Triazole, 1-((2-(5,7-dichloro-2-benzofuranyl)-1,3-dioxolan-2-yl)methyl)-"
ClC1C=C2C=CC=CC2=CC=1,2078.0,3.0,2.0,0.0,162.61899999999997,10.0,0.0,ClC1C=C2C=CC=CC2=CC=1,3.3176455432211585,2-Chloronaphthalene
ClC1C=C2OC3=C(C=C(Cl)C(Cl)=C3Cl)OC2=C(Cl)C=1Cl,1.2,3.0,1.0,1.0,390.8640000000001,12.0,2.0,ClC1C=C2OC3=C(C=C(Cl)C(Cl)=C3Cl)OC2=C(Cl)C=1Cl,0.07918124604762482,"1,2,3,6,7,8-Hexachlorodibenzo-p-dioxin"
ClC1C=C2OC3=C(OC2=C(Cl)C=1Cl)C(Cl)=C(Cl)C(Cl)=C3Cl,2504.0,3.0,1.0,1.0,425.30900000000014,12.0,2.0,ClC1C=C2OC3=C(OC2=C(Cl)C=1Cl)C(Cl)=C(Cl)C(Cl)=C3Cl,3.398634324538392,"1,2,3,4,6,7,8-Heptachlorodibenzodioxin"
ClC1C=C2OC3=C(OC2=CC=1Cl)C(Cl)=C(Cl)C(Cl)=C3Cl,0.89,3.0,1.0,1.0,390.8640000000001,12.0,2.0,ClC1C=C2OC3=C(OC2=CC=1Cl)C(Cl)=C(Cl)C(Cl)=C3Cl,-0.05060999335508721,"1,2,3,4,7,8-Hexachlorodibenzodioxin"
ClC1C=C2OC3C=C(Cl)C(Cl)=C(Cl)C=3OC2=CC=1Cl,0.21,3.0,1.0,1.0,356.4190000000001,12.0,2.0,ClC1C=C2OC3C=C(Cl)C(Cl)=C(Cl)C=3OC2=CC=1Cl,-0.6777807052660807,"1,2,3,7,8-Pentachlorodibenzo-p-dioxin"
ClC1C=CC(=CC=1)C(Cl)(Cl)Cl,625.0,3.0,1.0,0.0,229.921,7.0,0.0,ClC1C=CC(=CC=1)C(Cl)(Cl)Cl,2.7958800173440754,4-Chlorobenzotrichloride
ClC1C=CC(=CC=1)C(Cl)Cl,1974.0,3.0,1.0,0.0,195.476,7.0,0.0,ClC1C=CC(=CC=1)C(Cl)Cl,3.295347148333618,4-Chlorobenzal chloride
ClC1C=CC(=CC=1)C(OCCN1CCCCC1)C1C=CC=CC=1,1986.0,4.0,2.0,0.0,329.8709999999999,20.0,1.0,ClC1C=CC(=CC=1)C(OCCN1CCCCC1)C1C=CC=CC=1,3.2979792441593623,Cloperastine
ClC1C=CC(=CC=1)C1=NCOCS1,500.0,4.0,2.0,0.0,213.689,9.0,1.0,ClC1C=CC(=CC=1)C1=NCOCS1,2.6989700043360187,"6H-1,3,5-Oxathiazine, 4-(4-chlorophenyl)-"
ClC1C=CC(=CC=1)OC1C=C(Cl)C=CC=1,3500.0,4.0,1.0,0.0,239.101,12.0,1.0,ClC1C=CC(=CC=1)OC1C=C(Cl)C=CC=1,3.5440680443502757,
ClC1C=CC(=CC=1)OCOC1C=CC(Cl)=CC=1,5800.0,4.0,2.0,0.0,269.127,13.0,2.0,ClC1C=CC(=CC=1)OCOC1C=CC(Cl)=CC=1,3.7634279935629373,Bis(p-chlorophenoxy)methane
ClC1C=CC(=CC=1)SC1=CC(Cl)=C(Cl)C=C1Cl,3960.0,3.0,2.0,1.0,324.05899999999997,12.0,0.0,ClC1C=CC(=CC=1)SC1=CC(Cl)=C(Cl)C=C1Cl,3.597695185925512,Tetrasul
ClC1C=CC(=CC=1)SN=NC1=CC(Cl)=C(Cl)C=C1Cl,4000.0,3.0,2.0,1.0,352.0730000000001,12.0,0.0,ClC1C=CC(=CC=1)SN=NC1=CC(Cl)=C(Cl)C=C1Cl,3.6020599913279625,Chlorfensulphide
ClC1C=CC(=CC=1Cl)OCC1NCCN=1,100.0,4.0,2.0,0.0,245.109,10.0,1.0,ClC1C=CC(=CC=1Cl)OCC1NCCN=1,2.0,Fenmetozole hydrochloride
ClC1C=CC(CC2C=CC(Cl)=CC=2)=CC=1,1000.0,4.0,1.0,0.0,237.129,13.0,0.0,ClC1C=CC(CC2C=CC(Cl)=CC=2)=CC=1,3.0,Bis(4-chlorophenyl)methane
ClC1C=CC(CSC2C=CC(Cl)=CC=2)=CC=1,6000.0,4.0,2.0,1.0,269.196,13.0,0.0,ClC1C=CC(CSC2C=CC(Cl)=CC=2)=CC=1,3.7781512503836434,Chlorbenside
ClC1C=CC(Cl)=C(Cl)C=1Cl,1318.5,3.0,1.0,0.0,215.894,6.0,0.0,ClC1C=CC(Cl)=C(Cl)C=1Cl,3.120080134129453,"1,2,3,4-Tetrachlorobenzene"
ClC1C=CC(Cl)=CC=1,3808.0,1.0,2.0,0.0,147.00400000000002,6.0,0.0,ClC1C=CC(Cl)=CC=1,3.580696939712437,"1,4-Dichlorobenzene"
ClC1C=CC2=C(N=1)C(=NCC1=NN=CN21)C1=CC=CC=C1Cl,10000.0,4.0,3.0,0.0,330.1780000000001,15.0,0.0,ClC1C=CC2=C(N=1)C(=NCC1=NN=CN21)C1=CC=CC=C1Cl,4.0,Zapizolam
ClC1C=CC2=NSN=C2C=1NC1NCCN=1,507.0,4.0,3.0,0.0,253.718,9.0,0.0,ClC1C=CC2=NSN=C2C=1NC1NCCN=1,2.705007959333336,Tizanidine hydrochloride
ClC1C=CC=C(Cl)C=1C(Cl)Cl,1360.0,3.0,1.0,0.0,229.921,7.0,0.0,ClC1C=CC=C(Cl)C=1C(Cl)Cl,3.1335389083702174,"alpha,alpha-2,6-Tetrachlorotoluene"
ClC1C=CC=C(Cl)C=1Cl,1293.0,3.0,1.0,0.0,181.449,6.0,0.0,ClC1C=CC=C(Cl)C=1Cl,3.111598524880394,"1,2,3-Trichlorobenzene"
ClC1C=CC=C(Cl)C=1N=C1NCCN1,111.325,4.0,2.0,0.0,230.098,9.0,0.0,ClC1C=CC=C(Cl)C=1N=C1NCCN1,2.0465927038032605,Clonidine hydrochloride
ClC1C=CC=C(Cl)C=1NC1C=CC=CC=1,7500.0,4.0,1.0,0.0,238.117,12.0,0.0,ClC1C=CC=C(Cl)C=1NC1C=CC=CC=1,3.8750612633917,"2,6-Dichloro-N-phenylaniline"
ClC1C=CC=C(Cl)C=1SC(CN1C=NC=C1)CCC1C=CC(Cl)=CC=1,1720.0,3.0,1.0,1.0,411.7850000000001,19.0,0.0,ClC1C=CC=C(Cl)C=1SC(CN1C=NC=C1)CCC1C=CC(Cl)=CC=1,3.2355284469075487,Butoconazole nitrate
ClC1C=CC=C2C=CC=CC2=1,1540.0,3.0,2.0,0.0,162.61899999999997,10.0,0.0,ClC1C=CC=C2C=CC=CC2=1,3.187520720836463,1-Chloronaphthalene
ClC1C=CC=CC=1,1971.0,1.0,2.0,0.0,112.55899999999995,6.0,0.0,ClC1C=CC=CC=1,3.2946866242794433,Chlorobenzene
ClC1C=CC=CC=1C(C1C=CC=CC=1)(C1C=CC=CC=1)N1C=NC=C1,708.0,4.0,2.0,1.0,344.845,22.0,0.0,ClC1C=CC=CC=1C(C1C=CC=CC=1)(C1C=CC=CC=1)N1C=NC=C1,2.850033257689769,Clotrimazole
ClC1C=CC=CC=1C1=NC(=NO1)C1C=CN=CC=1,7500.0,4.0,3.0,0.0,257.68,13.0,1.0,ClC1C=CC=CC=1C1=NC(=NO1)C1C=CN=CC=1,3.8750612633917,Pifexole
ClC1C=CC=CC=1C1N=NC(=NN=1)C1=CC=CC=C1Cl,3200.0,4.0,2.0,0.0,303.152,14.0,0.0,ClC1C=CC=CC=1C1N=NC(=NN=1)C1=CC=CC=C1Cl,3.505149978319906,Clofentezine
ClC1C=CC=CC=1Cl,2054.0,1.0,2.0,0.0,147.00399999999996,6.0,0.0,ClC1C=CC=CC=1Cl,3.3126004392612596,"1,2-Dichlorobenzene"
ClC1C=CC=CN=1,342.0,1.0,2.0,0.0,113.54699999999998,5.0,0.0,ClC1C=CC=CN=1,2.534026106056135,2-Chloropyridine
ClC1N=C(C(Cl)=C(Cl)C=1Cl)C(Cl)(Cl)Cl,1840.0,3.0,2.0,1.0,334.244,6.0,0.0,ClC1N=C(C(Cl)=C(Cl)C=1Cl)C(Cl)(Cl)Cl,3.2648178230095364,"2,3,4,5-Tetrachloro-6-(trichloromethyl)pyridine"
ClC1N=C(Cl)N=C(Cl)N=1,334.0,2.0,2.0,0.0,184.413,3.0,0.0,ClC1N=C(Cl)N=C(Cl)N=1,2.5237464668115646,"2,4,6-Trichloro-s-triazine"
ClC=C(Cl)Cl,5760.0,1.0,2.0,0.0,131.389,2.0,0.0,ClC=C(Cl)Cl,3.760422483423212,Trichloroethylene
ClC=CC1C=CC=CC=1,5200.0,2.0,2.0,0.0,138.59699999999998,8.0,0.0,ClC=CC1C=CC=CC=1,3.716003343634799,"Benzene, chloroethenyl-"
ClC=CCCl,232.0,1.0,2.0,0.0,110.97100000000002,3.0,0.0,ClC=CCCl,2.3654879848909,"1,3-Dichloropropene"
ClC=CC[N+]12CN3CN(C1)CN(C2)C3,500.0,4.0,2.0,0.0,215.70799999999997,9.0,0.0,ClC=CC[N+]12CN3CN(C1)CN(C2)C3,2.6989700043360187,Chloroallyl methenamine
ClCBr,7500.0,1.0,2.0,0.0,129.384,1.0,0.0,ClCBr,3.8750612633917,Bromochloromethane
ClCC(Br)CBr,170.0,2.0,2.0,0.0,236.33399999999995,3.0,0.0,ClCC(Br)CBr,2.230448921378274,"1,2-Dibromo-3-chloropropane"
ClCC(Cl)(Cl)C(Cl)Cl,819.0,3.0,2.0,0.0,216.322,3.0,0.0,ClCC(Cl)(Cl)C(Cl)Cl,2.9132839017604186,"1,1,2,2,3-Pentachloropropane"
ClCC(Cl)(Cl)Cl,670.0,2.0,2.0,0.0,167.85,2.0,0.0,ClCC(Cl)(Cl)Cl,2.8260748027008264,"1,1,1,2-Tetrachloroethane"
ClCC(Cl)=C(Cl)C(Cl)Cl,472.0,3.0,1.0,0.0,228.33300000000003,4.0,0.0,ClCC(Cl)=C(Cl)C(Cl)Cl,2.673941998634088,
ClCC(Cl)=CCl,616.0,1.0,2.0,0.0,145.416,3.0,0.0,ClCC(Cl)=CCl,2.7895807121644256,"1,2,3-Trichloropropene"
ClCC(Cl)Cl,837.0,1.0,2.0,0.0,133.405,2.0,0.0,ClCC(Cl)Cl,2.92272545799326,"1,1,2-Trichloroethane"
ClCC1(COC1)CCl,600.0,1.0,2.0,0.0,155.024,5.0,1.0,ClCC1(COC1)CCl,2.7781512503836434,"3,3-Bis(chloromethyl)oxetane"
ClCC1=CC(=CC=C1)OC1C=CC=CC=1,1224.0,4.0,1.0,0.0,218.683,13.0,1.0,ClCC1=CC(=CC=C1)OC1C=CC=CC=1,3.087781417809542,3-Phenoxybenzyl chloride
ClCC1=CC=CC=C1CCl,2263.0,3.0,2.0,0.0,175.05799999999996,8.0,0.0,ClCC1=CC=CC=C1CCl,3.3546845539547285,"1,2-Bis(chloromethyl)benzene"
ClCC1C(Cl)=CC(Cl)=CC=1Cl,3075.0,3.0,1.0,0.0,229.921,7.0,0.0,ClCC1C(Cl)=CC(Cl)=CC=1Cl,3.4878451201114355,Trichlorobenzyl chloride
ClCC1C(Cl)=CC=CC=1Cl,2100.0,3.0,1.0,0.0,195.476,7.0,0.0,ClCC1C(Cl)=CC=CC=1Cl,3.322219294733919,"alpha-2,6-Trichlorotoluene"
ClCC1C=C(Cl)C=C(Cl)C=1,1080.0,3.0,1.0,0.0,195.476,7.0,0.0,ClCC1C=C(Cl)C=C(Cl)C=1,3.03342375548695,Dichlorobenzyl chloride
ClCC1C=CC(=CC=1)C1C=CC(CCl)=CC=1,3500.0,4.0,2.0,0.0,251.156,14.0,0.0,ClCC1C=CC(=CC=1)C1C=CC(CCl)=CC=1,3.5440680443502757,"4,4'-Bis(chloromethyl)-1,1'-biphenyl"
ClCC1C=CC(CCl)=CC=1,1280.0,3.0,2.0,0.0,175.058,8.0,0.0,ClCC1C=CC(CCl)=CC=1,3.1072099696478683,"alpha,alpha'-Dichloro-p-xylene"
ClCC1C=CC=C2C=CC=CC2=1,890.0,4.0,1.0,0.0,176.646,11.0,0.0,ClCC1C=CC=C2C=CC=CC2=1,2.949390006644913,"Naphthalene, 1-(chloromethyl)-"
ClCC1C=CC=CC=1,727.0,1.0,2.0,0.0,126.58599999999996,7.0,0.0,ClCC1C=CC=CC=1,2.8615344108590377,"Amines, polyethylenepoly-, reaction products with benzyl chloride"
ClCC1C=CC=CN=1,316.0,1.0,2.0,0.0,127.57399999999996,6.0,0.0,ClCC1C=CC=CN=1,2.499687082618404,2-(Chloromethyl)pyridine
ClCC1C=NC=CC=1,316.0,1.0,2.0,0.0,127.57399999999996,6.0,0.0,ClCC1C=NC=CC=1,2.499687082618404,3-(Chloromethyl)pyridine
ClCC1CC1,1250.0,1.0,2.0,0.0,90.553,4.0,0.0,ClCC1CC1,3.0969100130080562,(Chloromethyl)cyclopropane
ClCC1CO1,201.0,1.0,2.0,0.0,92.525,3.0,1.0,ClCC1CO1,2.303196057420489,Methanamine-N-methyl polymer with chloromethyl oxirane
ClCC1COC(O1)C(Cl)(Cl)Cl,1000.0,3.0,2.0,0.0,239.913,5.0,2.0,ClCC1COC(O1)C(Cl)(Cl)Cl,3.0,
ClCC=CC1C=CC=CC=1,3500.0,2.0,2.0,0.0,152.624,9.0,0.0,ClCC=CC1C=CC=CC=1,3.5440680443502757,"Benzene, (3-chloro-1-propenyl)-"
ClCC=CCCl,89.0,1.0,2.0,0.0,124.998,4.0,0.0,ClCC=CCCl,1.9493900066449128,"1,4-Dichloro-2-butene"
ClCCBr,64.0,1.0,2.0,0.0,143.411,2.0,0.0,ClCCBr,1.806179973983887,1-Chloro-2-bromoethane
ClCCC(Cl)(Cl)Cl,490.0,2.0,2.0,0.0,181.877,3.0,0.0,ClCCC(Cl)(Cl)Cl,2.690196080028514,"1,1,1,3-Tetrachloropropane"
ClCCCBr,1100.0,1.0,2.0,0.0,157.438,3.0,0.0,ClCCCBr,3.041392685158225,1-Bromo-3-chloropropane
ClCCCCBr,1885.0,2.0,2.0,0.0,171.465,4.0,0.0,ClCCCCBr,3.2753113545418118,1-Bromo-4-chlorobutane
ClCCCCCCCCCCCl,3500.0,4.0,0.0,0.0,211.17599999999996,10.0,0.0,ClCCCCCCCCCCCl,3.5440680443502757,"Decane, 1,10-dichloro-"
ClCCCCCCCl,2675.0,2.0,2.0,0.0,155.068,6.0,0.0,ClCCCCCCCl,3.427323786357247,"1,6-Dichlorohexane"
ClCCC[Si](Cl)(Cl)Cl,538.0,3.0,2.0,0.0,211.979,3.0,0.0,ClCCC[Si](Cl)(Cl)Cl,2.7307822756663893,Trichloro(3-chloropropyl)silane
ClCCCl,725.0,1.0,2.0,0.0,98.96,2.0,0.0,ClCCCl,2.8603380065709936,"1,2-Dichloroethane"
ClCCN(CC1C=CC=CC=1)CC1C=CC=CC=1,2400.0,4.0,2.0,0.0,259.78000000000003,16.0,0.0,ClCCN(CC1C=CC=CC=1)CC1C=CC=CC=1,3.380211241711606,Dibenamine
ClCCN(CCCl)C1C=CC=CC=1,239.0,4.0,2.0,0.0,218.12700000000004,10.0,0.0,ClCCN(CCCl)C1C=CC=CC=1,2.3783979009481375,Aniline mustard
ClCCN(CCCl)CCCl,5.0,4.0,2.0,0.0,204.528,6.0,0.0,ClCCN(CCCl)CCCl,0.6989700043360189,Trichlomethine
ClCCOCCCl,133.0,1.0,2.0,0.0,143.013,4.0,1.0,ClCCOCCCl,2.123851640967086,Bis(2-chloroethyl) ether
ClCCOCCOCCCl,250.0,4.0,2.0,0.0,187.06599999999997,6.0,2.0,ClCCOCCOCCCl,2.3979400086720375,"1,2-Bis(2-chloroethoxy)ethane"
ClCCOCCOCCOCCCl,180.0,4.0,1.0,0.0,231.11899999999991,8.0,3.0,ClCCOCCOCCOCCCl,2.255272505103306,Tetraglycol dichloride
ClCCOCOCCCl,120.0,2.0,2.0,0.0,173.039,5.0,2.0,ClCCOCOCCCl,2.0791812460476247,Bis(2-chloroethoxy)methane
ClCCOP(OCCCl)OCCCl,115.5,4.0,2.0,0.0,269.49199999999996,6.0,3.0,ClCCOP(OCCCl)OCCCl,2.062581984228163,Tris(2-chloroethyl) phosphite
ClCCO[SiH](OCCCl)OCCCl,190.0,4.0,2.0,0.0,267.61199999999997,6.0,3.0,ClCCO[SiH](OCCCl)OCCCl,2.278753600952829,"Silane, tris(2-chloroethoxy)-"
ClCCSCCCl,17.0,1.0,2.0,0.0,159.08100000000002,4.0,0.0,ClCCSCCCl,1.2304489213782739,Bis-(2-chloroethyl)sulfide
ClCCl,2420.0,1.0,2.0,0.0,84.93299999999999,1.0,0.0,ClCCl,3.383815365980431,Dichloromethane
ClN(Cl)C1N=C(N=C(N=1)N(Cl)Cl)N(Cl)Cl,7500.0,3.0,3.0,0.0,332.79300000000006,3.0,0.0,ClN(Cl)C1N=C(N=C(N=1)N(Cl)Cl)N(Cl)Cl,3.8750612633917,"1,3,5-Triazine-2,4,6-triamine, N,N,N',N',N'',N''-hexachloro-"
ClP(C1C=CC=CC=1)C1C=CC=CC=1,316.0,4.0,2.0,0.0,220.639,12.0,0.0,ClP(C1C=CC=CC=1)C1C=CC=CC=1,2.499687082618404,Diphenylphosphinous chloride
ClP(Cl)C1C=CC=CC=1,200.0,3.0,2.0,0.0,178.98600000000002,6.0,0.0,ClP(Cl)C1C=CC=CC=1,2.3010299956639813,Phenyl phosphorus dichloride
ClP(Cl)OC1C=CC=CC=1,681.0,3.0,1.0,0.0,194.98500000000004,6.0,1.0,ClP(Cl)OC1C=CC=CC=1,2.833147111912785,"Phosphorodichloridous acid, phenyl ester"
ClSC(Cl)(Cl)Cl,82.8,2.0,2.0,0.0,185.89,1.0,0.0,ClSC(Cl)(Cl)Cl,1.91803033678488,Perchloromethylmercaptan
Cl[Si](Cl)(C1CCCC1)C1CCCC1,2751.0,4.0,1.0,0.0,237.24599999999992,10.0,0.0,Cl[Si](Cl)(C1CCCC1)C1CCCC1,3.4394905903896835,DICYCLOPENTYLDICHLOROSILANE
Cl[Si](Cl)(Cl)C1C=CC=CC=1,2390.0,3.0,2.0,0.0,211.551,6.0,0.0,Cl[Si](Cl)(Cl)C1C=CC=CC=1,3.3783979009481375,Trichlorophenylsilane
Cl[Si](Cl)(Cl)C1CC=CCC1,2830.0,3.0,1.0,0.0,215.58299999999997,6.0,0.0,Cl[Si](Cl)(Cl)C1CC=CCC1,3.45178643552429,"Cyclohexene, 4-(trichlorosilyl)-"
Cl[Si](Cl)(Cl)CCC1C=CC=CC=1,2830.0,4.0,1.0,0.0,239.605,8.0,0.0,Cl[Si](Cl)(Cl)CCC1C=CC=CC=1,3.45178643552429,Trichloro(2-phenylethyl)silane
FB(F)F,1126.0,1.0,2.0,0.0,67.80600000000001,0.0,0.0,FB(F)F,3.0515383905153275,Ethylamine-boron trifluoride
FC(Cl)(Cl)C1C=CC=CC=1,450.0,3.0,2.0,0.0,179.02100000000002,7.0,0.0,FC(Cl)(Cl)C1C=CC=CC=1,2.6532125137753435,(Dichlorofluoromethyl)benzene
FC(F)(Cl)C(Cl)(Cl)Cl,10001.0,2.0,2.0,0.0,203.83,2.0,0.0,FC(F)(Cl)C(Cl)(Cl)Cl,4.000043427276863,CERAPP_26340
FC(F)(Cl)C(Cl)Cl,3286.0,2.0,2.0,0.0,169.38500000000002,2.0,0.0,FC(F)(Cl)C(Cl)Cl,3.516667559099043,"Ethane, 1,2,2-trichloro-1,1-difluoro-"
FC(F)(Cl)C(F)(Cl)Cl,10001.0,2.0,2.0,0.0,187.37500000000003,2.0,0.0,FC(F)(Cl)C(F)(Cl)Cl,4.000043427276863,"1,1,2-Trichloro-1,2,2-trifluoroethane"
FC(F)(Cl)C(F)(F)C(F)Cl,7500.0,2.0,2.0,0.0,202.937,3.0,0.0,FC(F)(Cl)C(F)(F)C(F)Cl,3.8750612633917,"1,3-dichloro-1,1,2,2,3-pentafluoropropane"
FC(F)(Cl)Cl,1000.0,1.0,2.0,0.0,120.913,1.0,0.0,FC(F)(Cl)Cl,3.0,Dichlorodifluoromethane
FC(F)(F)C(=NOCC1OCCO1)C1C=CC(Cl)=CC=1,669.0,4.0,3.0,0.0,309.671,12.0,3.0,FC(F)(F)C(=NOCC1OCCO1)C1C=CC(Cl)=CC=1,2.8254261177678233,Fluxofenim
FC(F)(F)C(Cl)(Cl)Cl,1116.0,2.0,2.0,0.0,187.37500000000003,2.0,0.0,FC(F)(F)C(Cl)(Cl)Cl,3.04766419460156,"1,1,1-Trichloro-2,2,2-trifluoroethane"
FC(F)(F)C(Cl)Br,5680.0,2.0,2.0,0.0,197.381,2.0,0.0,FC(F)(F)C(Cl)Br,3.754348335711019,Halothane
FC(F)(F)C(F)(F)C(Cl)Cl,7500.0,2.0,2.0,0.0,202.93700000000004,3.0,0.0,FC(F)(F)C(F)(F)C(Cl)Cl,3.8750612633917,"3,3-dichloro-1,1,1,2,2-pentafluoropropane"
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI,3868.0,4.0,1.0,1.0,473.9980000000001,8.0,0.0,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI,3.587486465410964,"1H,1H,2H,2H-Perfluorooctyl iodide"
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,7500.0,3.0,2.0,0.0,338.03799999999995,6.0,0.0,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,3.8750612633917,Perflexane
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,10000.0,2.0,0.0,2.0,671.0850000000003,12.0,0.0,FC(F)(F)C(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,4.0,Perfluorotributylamine
FC(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F,7500.0,2.0,1.0,2.0,521.064,9.0,0.0,FC(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F,3.8750612633917,"1-Propanamine, 1,1,2,2,3,3,3-heptafluoro-N,N-bis(heptafluoropropyl)-"
FC(F)(F)C(F)(F)C(F)(F)OC(F)=C(F)F,10001.0,2.0,2.0,0.0,266.03399999999993,5.0,1.0,FC(F)(F)C(F)(F)C(F)(F)OC(F)=C(F)F,4.000043427276863,"Propane, 1,1,1,2,2,3,3-heptafluoro-3-[(trifluoroethenyl)oxy]-"
FC(F)(F)C(F)C(F)C(F)(F)C(F)(F)F,6251.0,2.0,3.0,0.0,252.05099999999996,5.0,0.0,FC(F)(F)C(F)C(F)C(F)(F)C(F)(F)F,3.7959494989028033,"(S,S)-1,1,1,2,2,3,4,5,5,5-decafluoropentane"
FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F,7500.0,2.0,2.0,0.0,300.0419999999999,6.0,0.0,FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F,3.8750612633917,"Cyclopentane, nonafluoro(trifluoromethyl)-"
FC(F)(F)C1=CC(=CC=C1)N1CCC2=CC=CC=C2C1C1C=CC=CC=1,1000.0,3.0,1.0,1.0,353.387,22.0,0.0,FC(F)(F)C1=CC(=CC=C1)N1CCC2=CC=CC=C2C1C1C=CC=CC=1,3.0,
FC(F)(F)C1=CC(=CC=C1)N1N=C(OCCN2CCCCCC2)C2C=CC=NC1=2,1000.0,4.0,1.0,0.0,404.4360000000002,21.0,1.0,FC(F)(F)C1=CC(=CC=C1)N1N=C(OCCN2CCCCCC2)C2C=CC=NC1=2,3.0,
FC(F)(F)C1=CC=C(Cl)C=C1Cl,2150.0,3.0,1.0,0.0,215.001,7.0,0.0,FC(F)(F)C1=CC=C(Cl)C=C1Cl,3.3324384599156054,"2,4-Dichlorobenzotrifluoride"
FC(F)(F)C1C=C(C=CC=1)C(F)(F)F,2751.0,2.0,1.0,0.0,214.10799999999995,8.0,0.0,FC(F)(F)C1C=C(C=CC=1)C(F)(F)F,3.4394905903896835,"Benzene, 1,3-bis(trifluoromethyl)-"
FC(F)(F)C1C=C(C=CC=1)C1CCN(CC=1)CCC1C=C2C=CC=CC2=CC=1,800.0,3.0,1.0,1.0,381.4410000000001,24.0,0.0,FC(F)(F)C1C=C(C=CC=1)C1CCN(CC=1)CCC1C=C2C=CC=CC2=CC=1,2.9030899869919438,Xaliproden
FC(F)(F)C1C=C(C=CC=1)OCC1CNC(=S)O1,524.0,4.0,3.0,0.0,277.267,11.0,2.0,FC(F)(F)C1C=C(C=CC=1)OCC1CNC(=S)O1,2.7193312869837265,
FC(F)(F)C1C=C(Cl)C(Cl)=CC=1,1150.0,3.0,1.0,0.0,215.001,7.0,0.0,FC(F)(F)C1C=C(Cl)C(Cl)=CC=1,3.060697840353612,"1,2-Dichloro-4-(trifluoromethyl)benzene"
FC(F)(F)C1C=CC(Cl)=CC=1,6379.0,2.0,2.0,0.0,180.556,7.0,0.0,FC(F)(F)C1C=CC(Cl)=CC=1,3.8047526021504603,1-Chloro-4-(trifluoromethyl)benzene
FC(F)(F)C1C=CC=CC=1,10001.0,1.0,2.0,0.0,146.111,7.0,0.0,FC(F)(F)C1C=CC=CC=1,4.000043427276863,Benzotrifluoride
FC(F)(F)C1C=CC=CC=1Br,2720.0,2.0,2.0,0.0,225.007,7.0,0.0,FC(F)(F)C1C=CC=CC=1Br,3.4345689040341987,"Benzene, 1-bromo-2-(trifluoromethyl)-"
FC(F)(F)C1NC2=C(N=1)C(Br)=C(Br)C(Cl)=C2Br,8.321,3.0,1.0,1.0,457.2690000000001,8.0,0.0,FC(F)(F)C1NC2=C(N=1)C(Br)=C(Br)C(Cl)=C2Br,0.9201755220100227,"Benzimidazole, 6-chloro-4,5,7-tribromo-2-(trifluoromethyl)-"
FC(F)(F)C1NC2=C(N=1)C(Cl)=C(Cl)C(Br)=C2Br,3.434,3.0,1.0,1.0,412.818,8.0,0.0,FC(F)(F)C1NC2=C(N=1)C(Cl)=C(Cl)C(Br)=C2Br,0.5358002908248978,"Benzimidazole, 6,7-dibromo-4,5-dichloro-2-(trifluoromethyl)-"
FC(F)(F)C1NC2=CC(Br)=C(Cl)C(Cl)=C2N=1,2.777,3.0,2.0,0.0,333.92199999999997,8.0,0.0,FC(F)(F)C1NC2=CC(Br)=C(Cl)C(Cl)=C2N=1,0.4435758797502576,"Benzimidazole, 6-bromo-4,5-dichloro-2-(trifluoromethyl)-"
FC(F)(F)C1NC2=CC(Cl)=CC(=C2N=1)C(F)(F)F,1.66,4.0,2.0,0.0,288.578,9.0,0.0,FC(F)(F)C1NC2=CC(Cl)=CC(=C2N=1)C(F)(F)F,0.22010808804005508,"Benzimidazole, 2,4-bis(trifluoromethyl)-6-chloro-"
FC(F)(F)C1NC2=CC=CC=C2N=1,28.0,3.0,2.0,0.0,186.136,8.0,0.0,FC(F)(F)C1NC2=CC=CC=C2N=1,1.4471580313422192,"1H-Benzimidazole, 2-(trifluoromethyl)- (9CI)"
FC(F)(F)C1NC2C=C(Br)C=C(Cl)C=2N=1,6.402,3.0,2.0,0.0,299.47700000000003,8.0,0.0,FC(F)(F)C1NC2C=C(Br)C=C(Cl)C=2N=1,0.8063156698081135,"Benzimidazole, 6-bromo-4-chloro-2-(trifluoromethyl)-"
FC(F)(F)C1NC2C=C(Br)C=CC=2N=1,49.0,3.0,3.0,0.0,265.032,8.0,0.0,FC(F)(F)C1NC2C=C(Br)C=CC=2N=1,1.6901960800285136,"Benzimidazole, 5-bromo-2-(trifluoromethyl)-"
FC(F)(F)C1NC2C=CC(Cl)=C(Cl)C=2N=1,13.08,3.0,2.0,0.0,255.026,8.0,0.0,FC(F)(F)C1NC2C=CC(Cl)=C(Cl)C=2N=1,1.1166077439882485,Chlorflurazole
FC(F)(F)COC1CCC(CN2C=NC=N2)(O1)C1C=CC(Cl)=CC=1Cl,450.0,4.0,1.0,0.0,396.19600000000014,15.0,2.0,FC(F)(F)COC1CCC(CN2C=NC=N2)(O1)C1C=CC(Cl)=CC=1Cl,2.6532125137753435,Furconazole-cis
FC(F)(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F,6251.0,2.0,3.0,0.0,299.03899999999993,5.0,1.0,FC(F)(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F,3.7959494989028033,"Morpholine, 2,2,3,3,5,5,6,6-octafluoro-4-(trifluoromethyl)-"
FC(F)=C(F)C1C=CC=CC=1,2500.0,1.0,2.0,0.0,158.122,8.0,0.0,FC(F)=C(F)C1C=CC=CC=1,3.3979400086720375,".alpha.,.beta.,.beta.-Trifluorostyrene"
FC(F)C(F)(F)OCC(CN1C=NC=N1)C1C=CC(Cl)=CC=1Cl,1031.0,4.0,1.0,0.0,372.1490000000001,13.0,1.0,FC(F)C(F)(F)OCC(CN1C=NC=N1)C1C=CC(Cl)=CC=1Cl,3.0132586652835167,Tetraconazole
FC(F)CCl,2751.0,1.0,2.0,0.0,100.495,2.0,0.0,FC(F)CCl,3.4394905903896835,"Ethane, 2-chloro-1,1-difluoro-"
FC(F)OC(Cl)C(F)(F)F,4770.0,2.0,2.0,0.0,184.49099999999996,3.0,1.0,FC(F)OC(Cl)C(F)(F)F,3.678518379040114,Isoflurane
FC(F)OC(F)(F)C(F)Cl,5450.0,2.0,2.0,0.0,184.491,3.0,1.0,FC(F)OC(F)(F)C(F)Cl,3.7363965022766426,Enflurane
FC1(F)C(F)(F)C(Cl)=C(Cl)C1(F)F,280.0,2.0,1.0,0.0,244.94899999999996,5.0,0.0,FC1(F)C(F)(F)C(Cl)=C(Cl)C1(F)F,2.4471580313422194,"Cyclopentene, 1,2-dichloro-3,3,4,4,5,5-hexafluoro-"
FC1=C(Cl)C(F)=C(F)C(F)=C1F,7500.0,2.0,2.0,0.0,202.50899999999996,6.0,0.0,FC1=C(Cl)C(F)=C(F)C(F)=C1F,3.8750612633917,"Benzene, chloropentafluoro-"
FC1=CC(F)=C(Br)C=C1,619.0,2.0,2.0,0.0,192.99,6.0,0.0,FC1=CC(F)=C(Br)C=C1,2.791690649020118,"1-Bromo-2,4-difluorobenzene"
FC1=CC(F)=C(F)C(F)=C1F,3500.0,2.0,2.0,0.0,168.064,6.0,0.0,FC1=CC(F)=C(F)C(F)=C1F,3.5440680443502757,Pentafluorobenzene
FC1=CC=C(Br)C=C1,2700.0,2.0,2.0,0.0,175.0,6.0,0.0,FC1=CC=C(Br)C=C1,3.4313637641589874,1-Bromo-4-fluorobenzene
FC1=CC=C(C=C1)SCC1C=CC(Cl)=CC=1,3000.0,4.0,2.0,0.0,252.74100000000004,13.0,0.0,FC1=CC=C(C=C1)SCC1C=CC(Cl)=CC=1,3.4771212547196626,Fluorbenside
FC1=CC=CC=C1C1=NCC(=S)N(CC(F)(F)F)C2C=CC(Cl)=CC=21,7500.0,4.0,1.0,1.0,386.8010000000001,17.0,0.0,FC1=CC=CC=C1C1=NCC(=S)N(CC(F)(F)F)C2C=CC(Cl)=CC=21,3.8750612633917,Quazepam
FC1C=C(Br)C=C(F)C=1F,3500.0,2.0,2.0,0.0,210.97999999999996,6.0,0.0,FC1C=C(Br)C=C(F)C=1F,3.5440680443502757,"1-Bromo-3,4,5-trifluorobenzene"
FC1C=C(Cl)C2N=C(NC=2C=1)C(F)(F)F,1.98,3.0,2.0,0.0,238.571,8.0,0.0,FC1C=C(Cl)C2N=C(NC=2C=1)C(F)(F)F,0.2966651902615311,"Benzimidazole, 4-chloro-6-fluoro-2-(trifluoromethyl)-"
FC1C=CC(=CC=1)C(C1C=CC(F)=CC=1)N1CCN(CC=CC2C=CC=CC=2)CC1,503.0,4.0,1.0,1.0,404.5040000000001,26.0,0.0,FC1C=CC(=CC=1)C(C1C=CC(F)=CC=1)N1CCN(CC=CC2C=CC=CC=2)CC1,2.7015679850559273,Flunarizine hydrochloride
FC1C=CC(=CC=1)C(C1C=CC(F)=CC=1)N1CCNCC1,219.0,4.0,3.0,0.0,288.341,17.0,0.0,FC1C=CC(=CC=1)C(C1C=CC(F)=CC=1)N1CCNCC1,2.3404441148401185,1-(Bis(4-fluorophenyl)methyl)piperazine
FC1C=CC(=CC=1)C1(CN2C=NC=N2)OC1C1C=CC=CC=1Cl,7500.0,4.0,2.0,0.0,329.76200000000006,17.0,1.0,FC1C=CC(=CC=1)C1(CN2C=NC=N2)OC1C1C=CC=CC=1Cl,3.8750612633917,Epoxiconazole
FC1C=CC(=CC=1)C1CCNCC1COC1=CC2OCOC=2C=C1,415.0,4.0,3.0,0.0,329.3710000000001,19.0,3.0,FC1C=CC(=CC=1)C1CCNCC1COC1=CC2OCOC=2C=C1,2.6180480967120925,Paroxetine hydrochloride [USP]
FC1C=CC(=CC=1)N/C(=N/C1CCCCC1)/C1C=CC=CC=1,3500.0,4.0,2.0,1.0,296.38899999999995,19.0,0.0,FC1C=CC(=CC=1)N/C(=N/C1CCCCC1)/C1C=CC=CC=1,3.5440680443502757,"Benzenecarboximidamide, N-cyclohexyl-N'-(4-fluorophenyl)-, monohydrochloride"
FC1C=CC(=CC=1)OC1=CC=NC2=CC(Cl)=CC(Cl)=C12,7500.0,4.0,2.0,1.0,308.139,15.0,1.0,FC1C=CC(=CC=1)OC1=CC=NC2=CC(Cl)=CC(Cl)=C12,3.8750612633917,Quinoxyfen
FC1C=CC=CC=1,4399.0,1.0,2.0,0.0,96.10399999999998,6.0,0.0,FC1C=CC=CC=1,3.643353961976863,Fluorobenzene
FC1CC(F)(F)C(F)(F)C1(F)F,2500.0,2.0,2.0,0.0,196.065,5.0,0.0,FC1CC(F)(F)C(F)(F)C1(F)F,3.3979400086720375,"Cyclopentane, 1,1,2,2,3,3,4-heptafluoro-"
FCCBr,5.0,1.0,2.0,0.0,126.956,2.0,0.0,FCCBr,0.6989700043360189,"Ethane, 1-bromo-2-fluoro-"
FCOC(C(F)(F)F)C(F)(F)F,10001.0,2.0,2.0,0.0,200.05299999999997,4.0,1.0,FCOC(C(F)(F)F)C(F)(F)F,4.000043427276863,Sevoflurane
F[Si](F)(F)C1C=CC=CC=1,310.0,2.0,2.0,0.0,162.186,6.0,0.0,F[Si](F)(F)C1C=CC=CC=1,2.4913616938342726,"Silane, phenyltrifluoro-"
IC(I)I,355.0,3.0,2.0,0.0,393.731,1.0,0.0,IC(I)I,2.550228353055094,Iodoform
IC1C=CC=CC=1,1774.0,2.0,2.0,0.0,204.01,6.0,0.0,IC1C=CC=CC=1,3.2489536154957075,"Benzene, iodo-"
N#CC(=C(C1C=CC=CC=1)C1C=CC=CC=1)C(=O)OCC(COC(=O)C(C#N)=C(C1C=CC=CC=1)C1C=CC=CC=1)(COC(=O)C(C#N)=C(C1C=CC=CC=1)C1C=CC=CC=1)COC(=O)C(C#N)=C(C1C=CC=CC=1)C1C=CC=CC=1,3500.0,0.0,0.0,4.0,1061.163,69.0,8.0,N#CC(=C(C1C=CC=CC=1)C1C=CC=CC=1)C(=O)OCC(COC(=O)C(C#N)=C(C1C=CC=CC=1)C1C=CC=CC=1)(COC(=O)C(C#N)=C(C1C=CC=CC=1)C1C=CC=CC=1)COC(=O)C(C#N)=C(C1C=CC=CC=1)C1C=CC=CC=1,3.5440680443502757,"2-Propenoic acid, 2-cyano-3,3-diphenyl-2,2-bis(((2-cyano-1-oxo-3,3-diphenyl-2-propenyl)oxy)methyl)-1,3-propanediyl ester"
N#CC(=C1SCC(S1)C1C=CC=CC=1Cl)N1C=CN=C1,652.0,4.0,2.0,0.0,319.84200000000004,14.0,0.0,N#CC(=C1SCC(S1)C1C=CC=CC=1Cl)N1C=CN=C1,2.81424759573192,Lanoconazole
N#CC(=CC1=CC=CC=C1Cl)C#N,1360.0,3.0,2.0,0.0,188.61699999999996,10.0,0.0,N#CC(=CC1=CC=CC=C1Cl)C#N,3.1335389083702174,(2-Chlorobenzylidene)propanedinitrile
N#CC(=NOCC#N)C1C=CC=CC=1,2277.0,4.0,2.0,0.0,185.18600000000004,10.0,1.0,N#CC(=NOCC#N)C1C=CC=CC=1,3.3573630306151427,.alpha.-[(Cyanomethoxy)imino]benzeneacetonitrile
N#CC(=O)C1C=CC=C(Cl)C=1Cl,97.0,3.0,2.0,0.0,200.02399999999997,8.0,1.0,N#CC(=O)C1C=CC=C(Cl)C=1Cl,1.9867717342662448,"(2,3-Dichlorophenyl)oxoacetonitrile"
N#CC(Br)Br,289.0,2.0,2.0,0.0,198.845,2.0,0.0,N#CC(Br)Br,2.4608978427565478,Dibromoacetonitrile
N#CC(C#N)=C(C#N)C#N,5.0,1.0,2.0,0.0,128.094,6.0,0.0,N#CC(C#N)=C(C#N)C#N,0.6989700043360189,Tetracyanoethylene
N#CC(C#N)=C1SCS1,75.0,1.0,2.0,0.0,154.219,5.0,0.0,N#CC(C#N)=C1SCS1,1.8750612633917,"Propanedinitrile, 1,3-dithietan-2-ylidene-"
N#CC(C1C=CC=CC=1)=C1CCCCC1,619.0,4.0,1.0,0.0,197.28100000000003,14.0,0.0,N#CC(C1C=CC=CC=1)=C1CCCCC1,2.791690649020118,2-Cyclohexyl-2-phenylacetonitrile
N#CC(C1C=CC=CC=1)C1C=CC=CC=1,3875.0,4.0,2.0,0.0,193.249,14.0,0.0,N#CC(C1C=CC=CC=1)C1C=CC=CC=1,3.588271706842329,Diphenylacetonitrile
N#CC(CCBr)(C1C=CC=CC=1)C1C=CC=CC=1,3500.0,4.0,2.0,0.0,300.199,16.0,0.0,N#CC(CCBr)(C1C=CC=CC=1)C1C=CC=CC=1,3.5440680443502757,"4-Bromo-2,2-diphenylbutanenitrile"
N#CC(CCN1CCC(CC1)(C(O)=O)C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1,149.0,4.0,1.0,1.0,424.54400000000015,28.0,2.0,N#CC(CCN1CCC(CC1)(C(O)=O)C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1,2.173186268412274,Difenoxin
N#CC(CN1C=NC=N1)(CCC1C=CC(Cl)=CC=1)C1C=CC=CC=1,3500.0,4.0,2.0,0.0,336.826,19.0,0.0,N#CC(CN1C=NC=N1)(CCC1C=CC(Cl)=CC=1)C1C=CC=CC=1,3.5440680443502757,Fenbuconazole
N#CC(Cl)(Cl)C#N,130.0,1.0,2.0,0.0,134.953,3.0,0.0,N#CC(Cl)(Cl)C#N,2.113943352306837,"Propanedinitrile, dichloro-"
N#CC(Cl)(Cl)Cl,250.0,1.0,2.0,0.0,144.388,2.0,0.0,N#CC(Cl)(Cl)Cl,2.3979400086720375,Trichloroacetonitrile
N#CC(Cl)=C(Cl)Cl,62.5,1.0,2.0,0.0,156.399,3.0,0.0,N#CC(Cl)=C(Cl)Cl,1.7958800173440752,Trichloropropenenitrile
N#CC(Cl)Cl,334.5,1.0,2.0,0.0,109.943,2.0,0.0,N#CC(Cl)Cl,2.524396122103842,Dichloroacetonitrile
N#CC(F)(F)C(F)(F)C(F)(F)C#N,2600.0,2.0,2.0,0.0,202.057,5.0,0.0,N#CC(F)(F)C(F)(F)C(F)(F)C#N,3.4149733479708178,"Glutaronitrile, perfluoro-"
N#CC(OC1OC(CO)C(O)C(O)C1O)C1C=CC=CC=1,560.0,3.0,2.0,0.0,295.291,14.0,6.0,N#CC(OC1OC(CO)C(O)C(O)C1O)C1C=CC=CC=1,2.7481880270062002,
N#CC1(CCN(CC2C=CC=CC=2)CC1)N1CCCCC1,175.0,4.0,3.0,0.0,283.4190000000001,18.0,0.0,N#CC1(CCN(CC2C=CC=CC=2)CC1)N1CCCCC1,2.2430380486862944,"1'-(Phenylmethyl)-(1,4'-bipiperidine)-4'-carbonitrile"
N#CC1(O)CCCCC1,10.0,2.0,2.0,0.0,125.171,7.0,1.0,N#CC1(O)CCCCC1,1.0,Cyclohexanone cyanohydrin
N#CC1=C(C(C#N)=C(Cl)N=C1Cl)C1C=CC=CC=1,7500.0,4.0,2.0,0.0,274.11,13.0,0.0,N#CC1=C(C(C#N)=C(Cl)N=C1Cl)C1C=CC=CC=1,3.8750612633917,Pyridinitril
N#CC1=CC(=C(Cl)C=C1)[N+]([O-])=O,2050.0,3.0,2.0,0.0,182.56599999999997,7.0,2.0,N#CC1=CC(=C(Cl)C=C1)[N+]([O-])=O,3.311753861055754,"Benzonitrile, 4-chloro-3-nitro-"
N#CC1=CC(Br)=C(O)C(Br)=C1,225.0,3.0,3.0,0.0,276.91499999999996,7.0,1.0,N#CC1=CC(Br)=C(O)C(Br)=C1,2.3521825181113627,Bromoxynil
N#CC1=CC(Cl)=C(Cl)C=C1,650.0,3.0,2.0,0.0,172.014,7.0,0.0,N#CC1=CC(Cl)=C(Cl)C=C1,2.8129133566428557,"3,4-Dichlorobenzonitrile"
N#CC1=CC(I)=C(O)C(I)=C1,102.58333333333333,3.0,2.0,0.0,370.915,7.0,1.0,N#CC1=CC(I)=C(O)C(I)=C1,2.0110768068836915,Ioxynil sodium
N#CC1=CC(O)=C(O)C=C1,194.0,1.0,2.0,0.0,135.122,7.0,2.0,N#CC1=CC(O)=C(O)C=C1,2.287801729930226,"3,4-Dihydroxybenzonitrile"
N#CC1=CC=CC=C1/N=C(O)/C1SN=C(Cl)C=1Cl,3500.0,4.0,2.0,0.0,298.154,11.0,1.0,N#CC1=CC=CC=C1/N=C(O)/C1SN=C(Cl)C=1Cl,3.5440680443502757,Isotianil
N#CC1=CC=CC=C1C#N,125.0,1.0,2.0,0.0,128.13399999999996,8.0,0.0,N#CC1=CC=CC=C1C#N,2.0969100130080562,"1,2-Benzenedicarbonitrile"
N#CC1=CC=CC=C1C1C=CC(CBr)=CC=1,2751.0,4.0,2.0,0.0,272.1449999999999,14.0,0.0,N#CC1=CC=CC=C1C1C=CC(CBr)=CC=1,3.4394905903896835,4'-Bromomethyl-2-cyanobiphenyl
N#CC1=CC=CC=C1CN1CC2C=CSC=2CC1,228.0,4.0,3.0,0.0,254.35799999999995,15.0,0.0,N#CC1=CC=CC=C1CN1CC2C=CSC=2CC1,2.357934847000454,"Benzonitirle, o-((4,5,6,7-tetrahydrothieno(3,2-c)pyridin-5-yl)methyl)-, methanesulfonate"
N#CC1=CC=CC=C1Cl,396.0,1.0,2.0,0.0,137.56899999999996,7.0,0.0,N#CC1=CC=CC=C1Cl,2.597695185925512,2-Chlorobenzonitrile
N#CC1=CN=CC=C1,1142.0,1.0,2.0,0.0,104.11199999999998,6.0,0.0,N#CC1=CN=CC=C1,3.0576661039098294,3-Pyridinecarbonitrile
N#CC1=CNC=C1C1C=CC=C(Cl)C=1Cl,7500.0,4.0,1.0,0.0,237.08899999999997,11.0,0.0,N#CC1=CNC=C1C1C=CC=C(Cl)C=1Cl,3.8750612633917,Fenpicionil
N#CC1=CNC=C1C1C=CC=C2OC(F)(F)OC=12,7500.0,4.0,2.0,0.0,248.18799999999993,12.0,2.0,N#CC1=CNC=C1C1C=CC=C2OC(F)(F)OC=12,3.8750612633917,Fludioxonil
N#CC1C(Cl)=C(Cl)C(Cl)=C(C#N)C=1Cl,5061.0,3.0,2.0,0.0,265.914,8.0,0.0,N#CC1C(Cl)=C(Cl)C(Cl)=C(C#N)C=1Cl,3.7042363373087874,Chlorothalonil
N#CC1C(Cl)=CC=CC=1Cl,3465.0,3.0,2.0,0.0,172.01399999999998,7.0,0.0,N#CC1C(Cl)=CC=CC=1Cl,3.5397032389478253,Dichlobenil
N#CC1C=C(C=CC=1)C#N,860.0,1.0,2.0,0.0,128.134,8.0,0.0,N#CC1C=C(C=CC=1)C#N,2.934498451243568,"1,3-Benzenedicarbonitrile"
N#CC1C=C(C=CC=1N=NC1C=CC(=CC=1)N(CCC#N)CCC1C=CC=CC=1)[N+]([O-])=O,7500.0,3.0,0.0,1.0,424.46400000000017,24.0,2.0,N#CC1C=C(C=CC=1N=NC1C=CC(=CC=1)N(CCC#N)CCC1C=CC=CC=1)[N+]([O-])=O,3.8750612633917,"Benzonitrile, 2-[[4-[(2-cyanoethyl)(2-phenylethyl)amino]phenyl]azo]-5-nitro-"
N#CC1C=C(Cl)C2N=C(NC=2C=1)C(F)(F)F,2.4,3.0,2.0,0.0,245.591,9.0,0.0,N#CC1C=C(Cl)C2N=C(NC=2C=1)C(F)(F)F,0.38021124171160603,"Benzimidazole-6-carbonitrile, 4-chloro-2-(trifluoromethyl)-"
N#CC1C=C(Cl)C=C2NC(=NC=12)C(F)(F)F,4.788,3.0,2.0,0.0,245.59099999999995,9.0,0.0,N#CC1C=C(Cl)C=C2NC(=NC=12)C(F)(F)F,0.680154141734373,"Benzimidazole-4-carbonitrile, 6-chloro-2-(trifluoromethyl)-"
N#CC1C=C2C(=CC=1)SC1=CC=CC=C1N2CCCN1CCC(O)CC1,395.0,4.0,1.0,0.0,365.502,21.0,1.0,N#CC1C=C2C(=CC=1)SC1=CC=CC=C1N2CCCN1CCC(O)CC1,2.59659709562646,Periciazine
N#CC1C=CC(=CC=1)C#N,6400.0,1.0,2.0,0.0,128.134,8.0,0.0,N#CC1C=CC(=CC=1)C#N,3.806179973983887,"1,4-Benzenedicarbonitrile"
N#CC1C=CC(=CC=1)C1C=CC=CC=1,2000.0,4.0,2.0,0.0,179.22199999999998,13.0,0.0,N#CC1C=CC(=CC=1)C1C=CC=CC=1,3.3010299956639813,"[1,1'-Biphenyl]-4-carbonitrile"
N#CC1C=CC(=CC=1)C1CCCC2=CN=CN21,200.0,4.0,2.0,0.0,223.279,14.0,0.0,N#CC1C=CC(=CC=1)C1CCCC2=CN=CN21,2.3010299956639813,Fadrozole
N#CC1C=CC(=CC=1)NC(=O)OC1C=CC=CC=1,3200.0,4.0,2.0,0.0,238.246,14.0,2.0,N#CC1C=CC(=CC=1)NC(=O)OC1C=CC=CC=1,3.505149978319906,Phenyl p-cyanophenylcarbamate
N#CC1C=CC(=CC=1)[N+]([O-])=O,30.0,1.0,2.0,0.0,148.121,7.0,2.0,N#CC1C=CC(=CC=1)[N+]([O-])=O,1.4771212547196624,"Benzonitrile, 4-nitro-"
N#CC1C=CC(=CC=1C#N)[N+]([O-])=O,850.0,3.0,2.0,0.0,173.131,8.0,2.0,N#CC1C=CC(=CC=1C#N)[N+]([O-])=O,2.929418925714293,"1,2-Benzenedicarbonitrile, 4-nitro-"
N#CC1C=CC(Br)=CC=1,1100.0,2.0,2.0,0.0,182.02,7.0,0.0,N#CC1C=CC(Br)=CC=1,3.041392685158225,"Benzonitrile, 4-bromo-"
N#CC1C=CC(F)=CC=1C#N,14.0,1.0,2.0,0.0,146.124,8.0,0.0,N#CC1C=CC(F)=CC=1C#N,1.146128035678238,"1,2-Benzenedicarbonitrile, 4-fluoro-"
N#CC1C=CC=CC=1,1010.0,1.0,2.0,0.0,103.12399999999997,7.0,0.0,N#CC1C=CC=CC=1,3.0043213737826426,Benzonitrile
N#CC1C=CC=CC=1C=CC1C=CC(C=CC2C=CC=CC=2C#N)=CC=1,3500.0,3.0,2.0,1.0,332.40600000000006,24.0,0.0,N#CC1C=CC=CC=1C=CC1C=CC(C=CC2C=CC=CC=2C#N)=CC=1,3.5440680443502757,"Benzonitrile, 2,2'-(1,4-phenylenedi-2,1-ethenediyl)bis-"
N#CC1C=CC=CC=1O,500.0,1.0,2.0,0.0,119.12299999999996,7.0,1.0,N#CC1C=CC=CC=1O,2.6989700043360187,2-Hydroxybenzonitrile
N#CC1C=CC=CN=1,980.0,1.0,2.0,0.0,104.11199999999998,6.0,0.0,N#CC1C=CC=CN=1,2.9912260756924947,2-Pyridinecarbonitrile
N#CC1C=CN=CC=1,710.0,1.0,2.0,0.0,104.11199999999998,6.0,0.0,N#CC1C=CN=CC=1,2.8512583487190755,4-Pyridinecarbonitrile
N#CC1CCCCC1,80.0,1.0,2.0,0.0,109.172,7.0,0.0,N#CC1CCCCC1,1.9030899869919435,Cyclohexanecarbonitrile
N#CC1OC1C#N,250.0,1.0,2.0,0.0,94.073,4.0,1.0,N#CC1OC1C#N,2.3979400086720375,"Succinonitrile, 2,3-epoxy-, (-)-(E)-"
N#CC1SC2=C(SC=1C#N)C(=O)C1C=CC=CC=1C2=O,638.0,4.0,3.0,0.0,296.33200000000005,14.0,2.0,N#CC1SC2=C(SC=1C#N)C(=O)C1C=CC=CC=1C2=O,2.8048206787211623,Dithianon
N#CC=CC#N,132.0,1.0,2.0,0.0,78.07400000000001,4.0,0.0,N#CC=CC#N,2.12057393120585,Fumaronitrile
N#CC=CC1C=CC=CC=1,4150.0,2.0,2.0,0.0,129.16199999999998,9.0,0.0,N#CC=CC1C=CC=CC=1,3.6180480967120925,3-Phenylprop-2-enenitrile
N#CCC#N,40.0,1.0,2.0,0.0,66.063,3.0,0.0,N#CCC#N,1.6020599913279623,Propanedinitrile
N#CCC(=O)C1=CC=CC=C1Cl,2751.0,3.0,2.0,0.0,179.60599999999997,9.0,1.0,N#CCC(=O)C1=CC=CC=C1Cl,3.4394905903896835,2-Chlorobenzoylacetonitrile
N#CCC(O)=O,1243.0,1.0,2.0,0.0,85.06199999999998,3.0,2.0,N#CCC(O)=O,3.094471128641645,Cyanoacetic acid
N#CCC1=CC=CC=C1CC#N,516.0,3.0,2.0,0.0,156.18799999999996,10.0,0.0,N#CCC1=CC=CC=C1CC#N,2.7126497016272113,o-Phenylenediacetonitrile
N#CCC1C=CC(Cl)=CC=1,50.0,2.0,2.0,0.0,151.596,8.0,0.0,N#CCC1C=CC(Cl)=CC=1,1.6989700043360187,4-Chlorophenylacetonitrile
N#CCC1C=CC=CC=1,264.0,1.0,2.0,0.0,117.15099999999995,8.0,0.0,N#CCC1C=CC=CC=1,2.4216039268698313,Benzyl cyanide
N#CCCC#N,450.0,1.0,2.0,0.0,80.09,4.0,0.0,N#CCCC#N,2.6532125137753435,Succinonitrile
N#CCCC(Br)(CBr)C#N,642.5,3.0,3.0,0.0,265.936,6.0,0.0,N#CCCC(Br)(CBr)C#N,2.807873132003332,"1,2-Dibromo-2,4-dicyanobutane"
N#CCCC=CC#N,380.0,1.0,2.0,0.0,106.128,6.0,0.0,N#CCCC=CC#N,2.57978359661681,2-Hexenedinitrile
N#CCCCCC#N,302.0,1.0,2.0,0.0,108.144,6.0,0.0,N#CCCCCC#N,2.4800069429571505,Hexanedinitrile
N#CCCCCCCC#N,243.0,2.0,2.0,0.0,136.198,8.0,0.0,N#CCCCCCCC#N,2.385606273598312,"1,6-Dicyanohexane"
N#CCCC[Si](Cl)(Cl)Cl,2830.0,3.0,2.0,0.0,202.544,4.0,0.0,N#CCCC[Si](Cl)(Cl)Cl,3.45178643552429,"Butanenitrile, 4-(trichlorosilyl)-"
N#CCCCl,10.0,1.0,2.0,0.0,89.525,3.0,0.0,N#CCCCl,1.0,3-Chloropropionitrile
N#CCCN(CCC#N)C1C=CC(=CC=1)N=NC1=CC=C(C=C1Cl)[N+]([O-])=O,3500.0,4.0,0.0,1.0,382.81100000000015,18.0,2.0,N#CCCN(CCC#N)C1C=CC(=CC=1)N=NC1=CC=C(C=C1Cl)[N+]([O-])=O,3.5440680443502757,"Propanenitrile, 3,3'-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]imino]bis-"
N#CCCN(CCC#N)C1C=CC(=CC=1)N=NC1C(Cl)=CC(=CC=1Cl)[N+]([O-])=O,3500.0,3.0,0.0,1.0,417.2560000000002,18.0,2.0,N#CCCN(CCC#N)C1C=CC(=CC=1)N=NC1C(Cl)=CC(=CC=1Cl)[N+]([O-])=O,3.5440680443502757,"Propanenitrile, 3,3'-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]imino]bis-"
N#CCCN(CCO)C1C=CC=CC=1,3210.0,4.0,2.0,0.0,190.246,11.0,1.0,N#CCCN(CCO)C1C=CC=CC=1,3.506505032404872,"Propanenitrile, 3-[(2-hydroxyethyl)phenylamino]-, monohydrochloride"
N#CCCN1CC=C(CC1)C1=CC(=CC=C1)C(F)(F)F,515.0,4.0,2.0,0.0,280.29300000000006,15.0,0.0,N#CCCN1CC=C(CC1)C1=CC(=CC=C1)C(F)(F)F,2.711807229041191,"1(2H)-Pyridinepropanenitrile, 3,6-dihydro-4-(3-(trifluoromethyl)phenyl)-, hydrochloride"
N#CCCNC(=O)CCl,410.0,1.0,2.0,0.0,146.577,5.0,1.0,N#CCCNC(=O)CCl,2.6127838567197355,"Acetamide, 2-chloro-N-(2-cyanoethyl)-"
N#CCCNC1C=CC=CC=1,4700.0,3.0,2.0,0.0,146.19299999999998,9.0,0.0,N#CCCNC1C=CC=CC=1,3.6720978579357175,3-Anilinopropionitrile
N#CCCNCCC#N,2700.0,1.0,2.0,0.0,123.159,6.0,0.0,N#CCCNCCC#N,3.4313637641589874,"3,3'-Iminobispropanenitrile"
N#CCCNCCCCCCNCCC#N,2751.0,4.0,1.0,0.0,222.33599999999996,12.0,0.0,N#CCCNCCCCCCNCCC#N,3.4394905903896835,"3,3'-(Hexane-1,6-diyldiazanediyl)dipropanenitrile"
N#CCCO,7968.0,1.0,2.0,0.0,71.079,3.0,1.0,N#CCCO,3.901349325415642,3-Hydroxypropanenitrile
N#CCCOCCC#N,2830.0,1.0,2.0,0.0,124.143,6.0,1.0,N#CCCOCCC#N,3.45178643552429,"3,3'-Oxydipropionitrile"
N#CCCOCCCCOCCC#N,4000.0,4.0,1.0,0.0,196.24999999999997,10.0,2.0,N#CCCOCCCCOCCC#N,3.6020599913279625,"Propanenitrile, 3,3'-(1,4-butanediylbis(oxy))bis-"
N#CCCOCCN(CCC#N)C1C=CC(=CC=1)N=NC1C=CC(=CC=1)[N+]([O-])=O,987.0,4.0,0.0,0.0,392.41900000000015,20.0,3.0,N#CCCOCCN(CCC#N)C1C=CC(=CC=1)N=NC1C=CC(=CC=1)[N+]([O-])=O,2.9943171526696366,"Propanenitrile, 3-[[2-(2-cyanoethoxy)ethyl][4-[(4-nitrophenyl)azo]phenyl]amino]-"
N#CCCOCCOCCO,10001.0,2.0,1.0,0.0,159.18499999999997,7.0,3.0,N#CCCOCCOCCO,4.000043427276863,
N#CCCSCCC#N,4210.0,1.0,2.0,0.0,140.21099999999998,6.0,0.0,N#CCCSCCC#N,3.6242820958356683,"3,3'-Thiodipropionitrile"
N#CCC[P+](CC[P+](CCC#N)(CCC#N)CCC#N)(CCC#N)CCC#N,10000.0,4.0,0.0,0.0,414.43400000000025,20.0,0.0,N#CCC[P+](CC[P+](CCC#N)(CCC#N)CCC#N)(CCC#N)CCC#N,4.0,Ethylenebis[tris(2-cyanoethyl)phosphonium bromide]
N#CCC[Si](Cl)(Cl)Cl,3500.0,2.0,2.0,0.0,188.517,3.0,0.0,N#CCC[Si](Cl)(Cl)Cl,3.5440680443502757,3-(Trichlorosilyl)propanenitrile
N#CCCl,186.0,1.0,2.0,0.0,75.49799999999999,2.0,0.0,N#CCCl,2.2695129442179165,Chloroacetonitrile
N#CCN(CC#N)CC#N,612.5,1.0,2.0,0.0,134.142,6.0,0.0,N#CCN(CC#N)CC#N,2.78710609303657,"Acetonitrile, 2,2',2''-nitrilotris-"
N#CCN(CC#N)CCCN(CC#N)CC#N,3500.0,4.0,1.0,0.0,230.275,11.0,0.0,N#CCN(CC#N)CCCN(CC#N)CC#N,3.5440680443502757,"Acetonitrile, 2,2',2'',2'''-(1,3-propanediyldinitrilo)tetrakis-"
N#CCN(CC#N)CCN(CC#N)CC#N,6251.0,4.0,2.0,0.0,216.24799999999996,10.0,0.0,N#CCN(CC#N)CCN(CC#N)CC#N,3.7959494989028033,(Ethylenedinitrilo)tetraacetonitrile
N#CCN(CC#N)N=O,163.0,1.0,2.0,0.0,124.103,4.0,1.0,N#CCN(CC#N)N=O,2.2121876044039577,"Acetonitrile, nitrosiminodi- (8CI)"
N#CCNC(=O)C1=CN=CC=C1C(F)(F)F,1326.0,4.0,2.0,0.0,229.16099999999997,9.0,1.0,N#CCNC(=O)C1=CN=CC=C1C(F)(F)F,3.1225435240687545,Flonicamid
N#CCNC1C=CC=CC=1,266.0,2.0,2.0,0.0,132.16599999999997,8.0,0.0,N#CCNC1C=CC=CC=1,2.424881636631067,"Acetonitrile, anilino- (8CI)"
N#CCNCC#N,710.0,1.0,2.0,0.0,95.105,4.0,0.0,N#CCNCC#N,2.8512583487190755,Iminodiacetonitrile
N#CCO,12.0,0.0,2.0,0.0,57.052,2.0,1.0,N#CCO,1.0791812460476249,Hydroxyacetonitrile
N#CN=C1NC(=O)CC(=O)N1,3500.0,0.0,2.0,0.0,152.113,5.0,2.0,N#CN=C1NC(=O)CC(=O)N1,3.5440680443502757,CERAPP_41361
N#CN=C1SCCN1CC1C=NC(Cl)=CC=1,393.0,4.0,3.0,0.0,252.73,10.0,0.0,N#CN=C1SCCN1CC1C=NC(Cl)=CC=1,2.5943925503754266,Thiacloprid
N#CN=c1cccc[n]1CC1=C(Cl)C=CC=C1Cl,500.0,4.0,3.0,0.0,278.14199999999994,13.0,0.0,N#CN=c1cccc[n]1CC1=C(Cl)C=CC=C1Cl,2.6989700043360187,
N#CNC#N,750.0,0.0,2.0,0.0,67.051,2.0,0.0,N#CNC#N,2.8750612633917,Dicyanamide
N#CNC1=NCCS1,400.0,1.0,2.0,0.0,127.172,4.0,0.0,N#CNC1=NCCS1,2.6020599913279625,"2-Cyanoimino-1,3-thiazolidine"
N#CS,2428.0,1.0,2.0,0.0,59.093,1.0,0.0,N#CS,3.38524868240322,"Thiocyanic acid, lithium salt (1:1)"
N#CSC=CSC#N,77.0,1.0,2.0,0.0,142.208,4.0,0.0,N#CSC=CSC#N,1.8864907251724818,Vinylene bisthiocyanate
N#CSCC(Cl)SC#N,98.0,3.0,2.0,0.0,178.669,4.0,0.0,N#CSCC(Cl)SC#N,1.9912260756924949,"1-Chloroethane-1,2-diyl bis(thiocyanate)"
N#CSCSC#N,55.0,1.0,2.0,0.0,130.197,3.0,0.0,N#CSCSC#N,1.7403626894942439,Methylene bis(thiocyanate)
N#CSCSC1=NC2=CC=CC=C2S1,1795.0,4.0,1.0,0.0,238.362,9.0,0.0,N#CSCSC1=NC2=CC=CC=C2S1,3.254064452914338,2-(Thiocyanomethylthio)benzothiazole
N#C[Se-],10.0,1.0,2.0,0.0,104.978,1.0,0.0,N#C[Se-],1.0,"Selenocyanic acid, potassium salt"
N#[N+]C1C(=O)NC(=O)NC1=O,1150.0,0.0,2.0,0.0,155.093,4.0,3.0,N#[N+]C1C(=O)NC(=O)NC1=O,3.060697840353612,diazobarbituric acid
N/C(/N/C(/N)=N/P(O)(O)=O)=NCC1C=CC=CC=1,1700.0,3.0,3.0,0.0,271.217,9.0,3.0,N/C(/N/C(/N)=N/P(O)(O)=O)=NCC1C=CC=CC=1,3.230448921378274,Benphosformine
N1N=C(N=N1)C1N=NNN=1,2751.0,0.0,2.0,0.0,138.09400000000002,2.0,0.0,N1N=C(N=N1)C1N=NNN=1,3.4394905903896835,"5-(1H-1,2,3,4-tetrazol-5-yl)-1H-1,2,3,4-tetrazole diamine"
N=C(N=NCC1C=CC(Cl)=CC=1)N=NCC1C=CC(Cl)=CC=1,1350.0,4.0,2.0,1.0,334.21000000000004,15.0,0.0,N=C(N=NCC1C=CC(Cl)=CC=1)N=NCC1C=CC(Cl)=CC=1,3.130333768495006,Robenidine
N=C(NC#N)NCCCCCCNC(=N)NC#N,2751.0,4.0,3.0,0.0,250.31,10.0,0.0,N=C(NC#N)NCCCCCCNC(=N)NC#N,3.4394905903896835,"Guanidine, N,N'''-1,6-hexanediylbis[N'-cyano-"
N=C(NC(=N)NCCCCCCNC(=N)NC(=N)NC1C=CC(Cl)=CC=1)NC1C=CC(Cl)=CC=1,3883.0,2.0,0.0,1.0,505.4580000000002,22.0,0.0,N=C(NC(=N)NCCCCCCNC(=N)NC(=N)NC1C=CC(Cl)=CC=1)NC1C=CC(Cl)=CC=1,3.5891673905460477,Chlorhexidine dihydrochloride
N=C(NC1C=CC=CC=1)NC1C=CC=CC=1,163.0,4.0,2.0,0.0,211.268,13.0,0.0,N=C(NC1C=CC=CC=1)NC1C=CC=CC=1,2.2121876044039577,"Guanidine, N,N'-diphenyl-, hydrochloride"
N=C(S)N/N=N/C1=CC(Cl)=C(Cl)C=C1,1.0,4.0,2.0,0.0,249.126,7.0,0.0,N=C(S)N/N=N/C1=CC(Cl)=C(Cl)C=C1,0.0,Promurit
N=C1C(Cl)C(=O)C2=CC=CC=C2C1=O,893.0,4.0,2.0,0.0,207.61599999999996,10.0,2.0,N=C1C(Cl)C(=O)C2=CC=CC=C2C1=O,2.9508514588885464,"2-Amino-3-chloro-1,4-naphthoquinone"
N=C1C=CN2C3OC(CO)C(O)C3OC2=N1,7000.0,3.0,2.0,0.0,225.204,9.0,4.0,N=C1C=CN2C3OC(CO)C(O)C3OC2=N1,3.845098040014257,Cyclocytidine
N=C1C=NN(C(=O)C1Br)C1C=CC=CC=1,8500.0,4.0,3.0,0.0,266.09799999999996,10.0,1.0,N=C1C=NN(C(=O)C1Br)C1C=CC=CC=1,3.929418925714293,Brompyrazon
N=C1C=NN(C(=O)C1Cl)C1C=CC=CC=1,2071.0,4.0,2.0,0.0,221.647,10.0,1.0,N=C1C=NN(C(=O)C1Cl)C1C=CC=CC=1,3.3161800988934527,Chloridazon
N=C1CC(=CNC1=O)C1C=CN=CC=1,102.0,4.0,2.0,0.0,187.202,10.0,1.0,N=C1CC(=CNC1=O)C1C=CN=CC=1,2.0086001717619175,Amrinone
N=C1NC(=N)C2C=CC=CC1=2,200.0,2.0,2.0,0.0,145.165,8.0,0.0,N=C1NC(=N)C2C=CC=CC1=2,2.3010299956639813,"1H-Isoindole-1,3(2H)-diimine"
N=C1NC2C=CC(=CC=2C(=N)N1)N(CC1=CC(Cl)=C(Cl)C=C1)N=O,317.0,4.0,2.0,0.0,363.2080000000001,15.0,1.0,N=C1NC2C=CC(=CC=2C(=N)N1)N(CC1=CC(Cl)=C(Cl)C=C1)N=O,2.5010592622177517,
N=C=O,777.5,1.0,2.0,0.0,43.025,1.0,1.0,N=C=O,2.890700397698875,"Cyanic acid, silver(1+) salt (1:1)"
N=[N+]=C1C=CC2C(=CC=CC=2S(O)(=O)=O)C1=O,7500.0,4.0,3.0,0.0,251.24299999999997,10.0,4.0,N=[N+]=C1C=CC2C(=CC=CC=2S(O)(=O)=O)C1=O,3.8750612633917,"1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo, sodium salt"
NC#N,768.0,0.0,2.0,0.0,42.041,1.0,0.0,NC#N,2.885361220031512,Cyanamide
NC(=N)C1=CC2C=CC(=CC=2C=C1)OC(=O)C1C=CC(=CC=1)NC(N)=N,3050.0,4.0,3.0,0.0,347.37800000000004,19.0,2.0,NC(=N)C1=CC2C=CC(=CC=2C=C1)OC(=O)C1C=CC(=CC=1)NC(N)=N,3.484299839346786,Nafamostat mesylate
NC(=N)NC#N,10001.0,0.0,2.0,0.0,84.08200000000001,2.0,0.0,NC(=N)NC#N,4.000043427276863,Cyanoguanidine
NC(=N)NC(=N)NCCC1C=CC=CC=1,794.0,4.0,2.0,0.0,205.265,10.0,0.0,NC(=N)NC(=N)NCCC1C=CC=CC=1,2.8998205024270964,Phenformin
NC(=N)NCCCC(N)C(O)=O,7555.5,3.0,2.0,0.0,174.204,6.0,2.0,NC(=N)NCCCC(N)C(O)=O,3.8782632099133925,"L-Arginine, hydrochloride (1:1)"
NC(=N)NCCCCCCCCNCCCCCCCCNC(N)=N,300.0,4.0,1.0,0.0,355.57500000000005,18.0,0.0,NC(=N)NCCCCCCCCNCCCCCCCCNC(N)=N,2.4771212547196626,"Guanidine, N,N'''-(iminodi-8,1-octanediyl)bis-"
NC(=N)NCCN1CCCCCCC1,1050.0,4.0,2.0,0.0,198.3139999999999,10.0,0.0,NC(=N)NCCN1CCCCCCC1,3.0211892990699383,Guanethidine
NC(=N)N[N+]([O-])=O,10001.0,0.0,2.0,0.0,104.069,1.0,2.0,NC(=N)N[N+]([O-])=O,4.000043427276863,Nitroguanidine
NC(=N)S(O)=O,1450.0,0.0,2.0,0.0,108.122,1.0,2.0,NC(=N)S(O)=O,3.161368002234975,Amino(imino)methanesulfinic acid
NC(=N)SCC1C=CC=CC=1,27.0,4.0,2.0,0.0,166.249,8.0,0.0,NC(=N)SCC1C=CC=CC=1,1.4313637641589874,"Carbamimidothioic acid, phenylmethyl ester, monohydrochloride"
NC(=N)SCCC(O)=O,1100.0,1.0,2.0,0.0,148.187,4.0,2.0,NC(=N)SCCC(O)=O,3.041392685158225,CERAPP_28767
NC(=N)SCCCS(O)(=O)=O,300.0,4.0,2.0,0.0,198.269,4.0,3.0,NC(=N)SCCCS(O)(=O)=O,2.4771212547196626,CERAPP_37160
NC(=O)C(=CC1=CC=C(O1)[N+]([O-])=O)C1=CC=CO1,796.0,4.0,2.0,0.0,248.19399999999996,11.0,5.0,NC(=O)C(=CC1=CC=C(O1)[N+]([O-])=O)C1=CC=CO1,2.900913067737669,AF-2
NC(=O)C(Br)(Br)C#N,206.5,2.0,2.0,0.0,241.87,3.0,1.0,NC(=O)C(Br)(Br)C#N,2.31492005599242,"2,2-Dibromo-3-nitrilopropionamide"
NC(=O)C(O)(C1C=CC=CC=1)C1C=CC=CC=1,1550.0,4.0,2.0,0.0,227.263,14.0,2.0,NC(=O)C(O)(C1C=CC=CC=1)C1C=CC=CC=1,3.1903316981702914,"Benzeneacetamide, alpha-hydroxy-alpha-phenyl- (9CI)"
NC(=O)C1(CCN(CCC(C#N)(C2C=CC=CC=2)C2C=CC=CC=2)CC1)N1CCCCC1,320.0,4.0,1.0,0.0,430.5960000000001,27.0,1.0,NC(=O)C1(CCN(CCC(C#N)(C2C=CC=CC=2)C2C=CC=CC=2)CC1)N1CCCCC1,2.505149978319906,Piritramide [INN:BAN:DCF]
NC(=O)C1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)N1CCCCC1,800.0,4.0,2.0,0.0,375.48800000000006,21.0,2.0,NC(=O)C1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)N1CCCCC1,2.9030899869919438,Pipamperone
NC(=O)C1(CCN(CCCN2C3=CC=CC=C3CCC3=CC=CC=C23)CC1)N1CCCCC1,1025.0,2.0,1.0,0.0,446.63900000000024,28.0,1.0,NC(=O)C1(CCN(CCCN2C3=CC=CC=C3CCC3=CC=CC=C23)CC1)N1CCCCC1,3.010723865391773,Carpipramine
NC(=O)C1=CC=CC=C1Cl,1319.0,1.0,2.0,0.0,155.58399999999995,7.0,1.0,NC(=O)C1=CC=CC=C1Cl,3.1202447955463652,2-Chlorobenzamide
NC(=O)C1=CC=CC=C1O,1040.0,1.0,2.0,0.0,137.13799999999998,7.0,2.0,NC(=O)C1=CC=CC=C1O,3.0170333392987803,Salicylamide
NC(=O)C1=CN(CCO)N=C1[N+]([O-])=O,3650.0,3.0,2.0,0.0,200.154,6.0,4.0,NC(=O)C1=CN(CCO)N=C1[N+]([O-])=O,3.5622928644564746,1-(2-Hydroxyethyl)-3-nitro-4-pyrazolecarboxamide
NC(=O)C1=C[N+](=CC=C1)C1OC(COP([O-])(=O)OP(O)(=O)OCC2OC(C(O)C2O)N2C=NC3=C2N=CN=C3N)C(O)C1O,2751.0,0.0,1.0,3.0,663.4300000000004,21.0,14.0,NC(=O)C1=C[N+](=CC=C1)C1OC(COP([O-])(=O)OP(O)(=O)OCC2OC(C(O)C2O)N2C=NC3=C2N=CN=C3N)C(O)C1O,3.4394905903896835,Nadide
NC(=O)C1C(F)=CC=CC=1F,2014.0,1.0,2.0,0.0,157.11899999999997,7.0,1.0,NC(=O)C1C(F)=CC=CC=1F,3.3040594662175993,"Benzamide, 2,6-difluoro-"
NC(=O)C1C2=CC=CC=C2CCC2=CC=CC=C21,2400.0,4.0,2.0,0.0,237.30199999999996,16.0,1.0,NC(=O)C1C2=CC=CC=C2CCC2=CC=CC=C21,3.380211241711606,Cyheptamide
NC(=O)C1C=C(C(Cl)=CC=1)[N+]([O-])=O,2570.0,3.0,2.0,0.0,200.581,7.0,3.0,NC(=O)C1C=C(C(Cl)=CC=1)[N+]([O-])=O,3.4099331233312946,"Benzamide, 4-chloro-3-nitro-"
NC(=O)C1C=C(C=C(C=1)[N+]([O-])=O)[N+]([O-])=O,1250.0,4.0,2.0,0.0,211.133,7.0,5.0,NC(=O)C1C=C(C=C(C=1)[N+]([O-])=O)[N+]([O-])=O,3.0969100130080562,Nitromide
NC(=O)C1C=CC(=CC=1)NC(=O)C1C=CC(=CC=1)[N+]([O-])=O,2751.0,4.0,3.0,0.0,285.25899999999996,14.0,4.0,NC(=O)C1C=CC(=CC=1)NC(=O)C1C=CC(=CC=1)[N+]([O-])=O,3.4394905903896835,N-(4-(Aminocarbonyl)phenyl)-4-nitrobenzamide
NC(=O)C1C=CC(=CC=1)[N+]([O-])=O,476.0,3.0,2.0,0.0,166.136,7.0,3.0,NC(=O)C1C=CC(=CC=1)[N+]([O-])=O,2.677606952720493,4-Nitrobenzamide
NC(=O)C1C=CN=CC=1,1438.0,1.0,2.0,0.0,122.12699999999997,6.0,1.0,NC(=O)C1C=CN=CC=1,3.1577588860468637,Isonicotinamide
NC(=O)C1C=C[N+](CC2CSC3C(NC(=O)C(C4C=CC=CC=4)S(O)(=O)=O)C(=O)N3C=2C(O)=O)=CC=1,10001.0,2.0,1.0,1.0,533.5640000000002,22.0,8.0,NC(=O)C1C=C[N+](CC2CSC3C(NC(=O)C(C4C=CC=CC=4)S(O)(=O)=O)C(=O)N3C=2C(O)=O)=CC=1,4.000043427276863,Cefsulodin sodium
NC(=O)C1C=NC=CC=1,4640.0,1.0,2.0,0.0,122.12699999999997,6.0,1.0,NC(=O)C1C=NC=CC=1,3.6665179805548807,Niacinamide
NC(=O)C1CC2(NC(=O)NC2=O)C2C=C(F)C=CC=2O1,3500.0,3.0,3.0,0.0,279.22700000000003,12.0,4.0,NC(=O)C1CC2(NC(=O)NC2=O)C2C=C(F)C=CC=2O1,3.5440680443502757,Fidarestat
NC(=O)C1CCCN1C(=O)C(CC1=CN=CN1)NC(=O)C1CCC(=O)N1,7500.0,3.0,2.0,0.0,362.3900000000002,16.0,4.0,NC(=O)C1CCCN1C(=O)C(CC1=CN=CN1)NC(=O)C1CCC(=O)N1,3.8750612633917,Protirelin
NC(=O)C1CCN(CCCN2C3=CC=CC=C3SC3C=CC(Cl)=CC2=3)CC1,620.0,4.0,1.0,0.0,401.96300000000025,21.0,1.0,NC(=O)C1CCN(CCCN2C3=CC=CC=C3SC3C=CC(Cl)=CC2=3)CC1,2.792391689498254,Pipamazine
NC(=O)C1N=CN(C2OC(CO)C(O)C2O)C=1O,2847.0,3.0,3.0,0.0,259.218,9.0,6.0,NC(=O)C1N=CN(C2OC(CO)C(O)C2O)C=1O,3.454387467146955,Mizoribine
NC(=O)C1N=CN(N=1)C1OC(CO)C(O)C1O,3675.0,3.0,2.0,0.0,244.207,8.0,5.0,NC(=O)C1N=CN(N=1)C1OC(CO)C(O)C1O,3.5652573434202135,Ribavirin
NC(=O)CBr,100.0,1.0,2.0,0.0,137.964,2.0,1.0,NC(=O)CBr,2.0,Bromoacetamide
NC(=O)CC#N,3200.0,0.0,2.0,0.0,84.078,3.0,1.0,NC(=O)CC#N,3.505149978319906,2-Cyanoacetamide
NC(=O)CC1=C([O-])ON=[N+]1CC1C=CC=CC=1,4450.0,3.0,2.0,0.0,233.227,11.0,3.0,NC(=O)CC1=C([O-])ON=[N+]1CC1C=CC=CC=1,3.6483600109809315,3-Benzylsydnone-4-acetamide
NC(=O)CC1=NC2C=C(Cl)C=CC=2O1,750.0,4.0,2.0,0.0,210.62,9.0,2.0,NC(=O)CC1=NC2C=C(Cl)C=CC=2O1,2.8750612633917,"Acetamide, N-(5-chloro-2-benzoxazolyl)-"
NC(=O)CC1C=CC=C2C=CC=CC2=1,1690.0,4.0,2.0,0.0,185.226,12.0,1.0,NC(=O)CC1C=CC=C2C=CC=CC2=1,3.2278867046136734,1-Naphthaleneacetamide
NC(=O)CCC(N)C(O)=O,7500.0,1.0,2.0,0.0,146.14600000000002,5.0,3.0,NC(=O)CCC(N)C(O)=O,3.8750612633917,L-Glutamine
NC(=O)CCCCC1CCSS1,1980.0,4.0,2.0,0.0,205.348,8.0,1.0,NC(=O)CCCCC1CCSS1,3.296665190261531,alpha-Lipoic acid amide
NC(=O)CCNCCO,2751.0,1.0,2.0,0.0,132.163,5.0,2.0,NC(=O)CCNCCO,3.4394905903896835,"Propanamide, 3-[(2-hydroxyethyl)amino]-"
NC(=O)CCl,279.0,1.0,2.0,0.0,93.513,2.0,1.0,NC(=O)CCl,2.4456042032735974,Chloroacetamide
NC(=O)CF,9.5,0.0,2.0,0.0,77.05799999999999,2.0,1.0,NC(=O)CF,0.9777236052888477,2-Fluoroacetamide
NC(=O)CN(CC(O)=O)CC(O)=O,1150.0,3.0,2.0,0.0,190.15499999999997,6.0,5.0,NC(=O)CN(CC(O)=O)CC(O)=O,3.060697840353612,"Glycine, N-(2-amino-2-oxoethyl)-N-(carboxymethyl)-"
NC(=O)COC1C=CC(Cl)=CC=1Cl,1200.0,4.0,2.0,0.0,220.055,8.0,2.0,NC(=O)COC1C=CC(Cl)=CC=1Cl,3.0791812460476247,"Acetamide, 2-(2,4-dichlorophenoxy)-"
NC(=O)N(CO)CO,10000.0,0.0,2.0,0.0,120.108,3.0,3.0,NC(=O)N(CO)CO,4.0,Bis(hydroxymethyl)urea
NC(=O)N1C2=CC=CC=C2C=CC2C=CC=CC1=2,1957.0,4.0,2.0,0.0,236.274,15.0,1.0,NC(=O)N1C2=CC=CC=C2C=CC2C=CC=CC1=2,3.2915908256580013,Carbamazepine
NC(=O)N=NC(N)=O,6463.0,0.0,2.0,0.0,116.08,2.0,2.0,NC(=O)N=NC(N)=O,3.810434155922673,Azodicarbonamide
NC(=O)N=NCC1=CC=C(O1)[N+]([O-])=O,590.0,4.0,2.0,0.0,198.138,6.0,4.0,NC(=O)N=NCC1=CC=C(O1)[N+]([O-])=O,2.7708520116421442,Nitrofurazone
NC(=O)NC(=O)CC1C=CC=CC=1,1600.0,4.0,2.0,0.0,178.191,9.0,2.0,NC(=O)NC(=O)CC1C=CC=CC=1,3.2041199826559246,Phenacemide
NC(=O)NC(N)=N,3500.0,0.0,2.0,0.0,102.097,2.0,1.0,NC(=O)NC(N)=N,3.5440680443502757,Guanylurea
NC(=O)NC1C=C(Cl)C(Cl)=CC=1,500.0,3.0,2.0,0.0,205.044,7.0,1.0,NC(=O)NC1C=C(Cl)C(Cl)=CC=1,2.6989700043360187,"3,4-Dichlorophenylurea"
NC(=O)NC1C=CC=CC=1,3500.0,1.0,2.0,0.0,136.15399999999997,7.0,1.0,NC(=O)NC1C=CC=CC=1,3.5440680443502757,1-Phenylurea
NC(=O)NC1NC(=O)NC1=O,7500.0,0.0,2.0,0.0,158.117,4.0,3.0,NC(=O)NC1NC(=O)NC1=O,3.8750612633917,"Butanedioic acid, compd. with N-(2,5-dioxo-4-imidazolidinyl)urea (1:1)"
NC(=O)NCCO,3303.0,0.0,2.0,0.0,104.109,3.0,2.0,NC(=O)NCCO,3.518908573691414,(Hydroxyethyl)urea
NC(=O)NNC(N)=O,3500.0,0.0,2.0,0.0,118.096,2.0,2.0,NC(=O)NNC(N)=O,3.5440680443502757,Biurea
NC(=O)NO,5760.0,0.0,2.0,0.0,76.05499999999999,1.0,2.0,NC(=O)NO,3.760422483423212,Hydroxyurea
NC(=O)OC1C=CC(Br)=CC=1C(=O)OC1=CC=CC=C1,2500.0,4.0,3.0,0.0,336.141,14.0,4.0,NC(=O)OC1C=CC(Br)=CC=1C(=O)OC1=CC=CC=C1,3.3979400086720375,"Benzoic acid, 2-((aminocarbonyl)oxy)-5-bromo-, phenyl ester"
NC(=O)OC1C=CC(Cl)=CC=1C(=O)OC1=CC=CC=C1,2500.0,4.0,3.0,0.0,291.69,14.0,4.0,NC(=O)OC1C=CC(Cl)=CC=1C(=O)OC1=CC=CC=C1,3.3979400086720375,"Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, phenyl ester"
NC(=O)OC1C=CC(Cl)=CC=1C(=O)OC1C=CC(Cl)=CC=1Cl,2500.0,4.0,1.0,0.0,360.58,14.0,4.0,NC(=O)OC1C=CC(Cl)=CC=1C(=O)OC1C=CC(Cl)=CC=1Cl,3.3979400086720375,"Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, 2,4-dichlorophenyl ester"
NC(=O)OCC(COC(N)=O)C1C=CC=CC=1,7500.0,4.0,2.0,0.0,238.243,11.0,4.0,NC(=O)OCC(COC(N)=O)C1C=CC=CC=1,3.8750612633917,Felbamate
NC(=O)OCC(O)C(O)C(N)C(=O)NC(C1OC(C(O)C1O)N1C=C(CO)C(=O)NC1=O)C(O)=O,10001.0,2.0,1.0,3.0,507.4090000000002,17.0,13.0,NC(=O)OCC(O)C(O)C(N)C(=O)NC(C1OC(C(O)C1O)N1C=C(CO)C(=O)NC1=O)C(O)=O,4.000043427276863,Polyoxin B
NC(=O)OCC(O)COC1C=CC(Cl)=CC=1,744.0,4.0,2.0,0.0,245.662,10.0,4.0,NC(=O)OCC(O)COC1C=CC(Cl)=CC=1,2.8715729355458786,Chlorphenesin carbamate
NC(=O)OCC1C(NC(=O)C(=NOCC(O)=O)C2=CSC(N)=N2)C(=O)N1S(O)(=O)=O,10000.0,3.0,1.0,2.0,466.41000000000014,12.0,10.0,NC(=O)OCC1C(NC(=O)C(=NOCC(O)=O)C2=CSC(N)=N2)C(=O)N1S(O)(=O)=O,4.0,Carumonam
NC(=O)OCC1NC(=N)N2CCC(O)(O)C32NC(=N)NC31,0.19,3.0,3.0,0.0,299.291,10.0,4.0,NC(=O)OCC1NC(=N)N2CCC(O)(O)C32NC(=N)NC31,-0.721246399047171,Saxitoxin
NC(=O)OCCCC1C=CC=CC=1,1110.0,4.0,2.0,0.0,179.21900000000002,10.0,2.0,NC(=O)OCCCC1C=CC=CC=1,3.0453229787866576,Phenprobamate
NC(=S)C1C(Cl)=CC=CC=1Cl,757.0,3.0,2.0,0.0,206.097,7.0,0.0,NC(=S)C1C(Cl)=CC=CC=1Cl,2.8790958795000727,Chlorthiamid
NC(=S)CC1C=CC=C2C=CC=CC2=1,60.0,4.0,2.0,0.0,201.294,12.0,0.0,NC(=S)CC1C=CC=C2C=CC=CC2=1,1.7781512503836436,1-Naphthaleneethanethioamide
NC(=S)N=NC1C=CC(C=C1)N=NC(N)=N,750.0,4.0,2.0,0.0,237.29199999999997,8.0,0.0,NC(=S)N=NC1C=CC(C=C1)N=NC(N)=N,2.8750612633917,Ambazone
NC(=S)NC(N)=S,5.0,0.0,2.0,0.0,135.217,2.0,0.0,NC(=S)NC(N)=S,0.6989700043360189,"2,4-Dithiobiuret"
NC(=S)NC1C=C(Cl)C=CC=1Cl,300.0,3.0,2.0,0.0,221.112,7.0,0.0,NC(=S)NC1C=C(Cl)C=CC=1Cl,2.4771212547196626,"Thiourea, (2,5-dichlorophenyl)- (9CI)"
NC(=S)NC1C=CC(=CC=1)C1C=CC(=CC=1)NC(N)=S,200.0,4.0,3.0,0.0,302.428,14.0,0.0,NC(=S)NC1C=CC(=CC=1)C1C=CC(=CC=1)NC(N)=S,2.3010299956639813,"Urea, 1,1'-(4,4'-biphenylyene)bis(2-thio-"
NC(=S)NC1C=CC(Cl)=CC=1,15.0,3.0,2.0,0.0,186.66699999999997,7.0,0.0,NC(=S)NC1C=CC(Cl)=CC=1,1.1760912590556813,"Thourea, (4-chlorophenyl)- (9CI)"
NC(=S)NC1C=CC=C2C=CC=CC2=1,4.0,4.0,2.0,0.0,202.282,11.0,0.0,NC(=S)NC1C=CC=C2C=CC=CC2=1,0.6020599913279624,1-(1-Naphthyl)-2-thiourea
NC(=S)NC1C=CC=CC=1,3.0,2.0,2.0,0.0,152.22199999999998,7.0,0.0,NC(=S)NC1C=CC=CC=1,0.47712125471966244,1-Phenyl-2-thiourea
NC(=S)NC1C=CC=CC=1Cl,4.6,3.0,2.0,0.0,186.66699999999997,7.0,0.0,NC(=S)NC1C=CC=CC=1Cl,0.6627578316815741,1-(o-Chlorophenyl)thiourea
NC(=S)SSC(N)=S,1950.0,3.0,2.0,0.0,184.336,2.0,0.0,NC(=S)SSC(N)=S,3.290034611362518,"Disulfide, bis(thiocarbamoyl)"
NC(C(O)C1C=CC(O)=C(O)C=1)C(O)=O,10000.0,3.0,2.0,0.0,213.189,9.0,5.0,NC(C(O)C1C=CC(O)=C(O)C=1)C(O)=O,4.0,Droxidopa
NC(C1=CC=C(O)C=C1)C(O)=O,3500.0,4.0,2.0,0.0,167.164,8.0,3.0,NC(C1=CC=C(O)C=C1)C(O)=O,3.5440680443502757,Oxfenicine
NC(C1C=CC=CC=1)/C(/O)=N/C1C2SCC(Cl)=C(C(O)=O)N2C1=O,10001.0,4.0,2.0,0.0,367.814,15.0,4.0,NC(C1C=CC=CC=1)/C(/O)=N/C1C2SCC(Cl)=C(C(O)=O)N2C1=O,4.000043427276863,
NC(C1C=CC=CC=1)C(=O)NC1C2SCC(Cl)=C(C(O)=O)N2C1=O,10001.0,4.0,2.0,0.0,367.814,15.0,4.0,NC(C1C=CC=CC=1)C(=O)NC1C2SCC(Cl)=C(C(O)=O)N2C1=O,4.000043427276863,Cefaclor
NC(CC(O)=O)C(O)=O,5718.5,0.0,2.0,0.0,133.10299999999998,4.0,4.0,NC(CC(O)=O)C(O)=O,3.757282125444405,Monosodium aspartate
NC(CC1=CN=CN1)C(O)=O,6750.5,1.0,2.0,0.0,155.15699999999998,6.0,2.0,NC(CC1=CN=CN1)C(O)=O,3.8293359416012263,L-Histidine hydrochloride monohydrate
NC(CC1=CNC2C=CC(O)=CC=21)C(O)=O,243.0,4.0,2.0,0.0,220.228,11.0,3.0,NC(CC1=CNC2C=CC(O)=CC=21)C(O)=O,2.385606273598312,L-5-Hydroxytryptophan
NC(CC1C=C(O)C(O)=CC=1)C(O)=O,1780.0,4.0,2.0,0.0,197.18999999999997,9.0,4.0,NC(CC1C=C(O)C(O)=CC=1)C(O)=O,3.250420002308894,L-Dopa
NC(CC1C=CC(=CC=1)N(CCCl)CCCl)C(O)=O,13.0,4.0,2.0,0.0,305.205,13.0,2.0,NC(CC1C=CC(=CC=1)N(CCCl)CCCl)C(O)=O,1.1139433523068367,Melphalan
NC(CCC(=O)NC(CSSCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O,7500.0,0.0,1.0,3.0,612.6400000000004,20.0,12.0,NC(CCC(=O)NC(CSSCC(NC(=O)CCC(N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O,3.8750612633917,Oxiglutatione
NC(CCC(O)=O)C(O)=O,10001.0,0.0,2.0,0.0,147.13,5.0,4.0,NC(CCC(O)=O)C(O)=O,4.000043427276863,DL-Glutamic acid monohydrate
NC(CNC1=CC(Cl)=C(Cl)C=C1)N=O,245.0,4.0,2.0,0.0,234.086,8.0,1.0,NC(CNC1=CC(Cl)=C(Cl)C=C1)N=O,2.3891660843645326,"Ethanimidamide, 2-((3,4-dichlorophenyl)amino)-N-hydroxy-, monohydrochloride"
NC(CNC1C=CC(Cl)=CC=1)N=O,450.0,4.0,2.0,0.0,199.641,8.0,1.0,NC(CNC1C=CC(Cl)=CC=1)N=O,2.6532125137753435,"Ethanimidamide, 2-((4-chlorophenyl)amino)-N-hydroxy-, dihydrochloride"
NC(CO)(CO)CO,7100.0,0.0,2.0,0.0,121.136,4.0,3.0,NC(CO)(CO)CO,3.8512583487190755,"Carbonic acid, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1)"
NC(CO)C(=O)NNCC1C=CC(O)=C(O)C=1O,5300.0,3.0,2.0,0.0,257.246,10.0,5.0,NC(CO)C(=O)NNCC1C=CC(O)=C(O)C=1O,3.724275869600789,Benserazide
NC(CO)C(O)=O,3500.0,0.0,2.0,0.0,105.093,3.0,3.0,NC(CO)C(O)=O,3.5440680443502757,CERAPP_13454
NC(CO)CO,7500.0,0.0,2.0,0.0,91.11,3.0,2.0,NC(CO)CO,3.8750612633917,"1,3-Propanediol, 2-amino-"
NC(CS)C(O)=O,1890.0,0.0,2.0,0.0,121.16099999999996,3.0,2.0,NC(CS)C(O)=O,3.2764618041732443,L-Cysteine
NC(CSCC(O)=O)C(O)=O,10001.0,3.0,2.0,0.0,179.197,5.0,4.0,NC(CSCC(O)=O)C(O)=O,4.000043427276863,S-(Carboxymethyl)-L-cysteine
NC(CSSCC(N)C(O)=O)C(O)=O,10001.0,3.0,1.0,0.0,240.306,6.0,4.0,NC(CSSCC(N)C(O)=O)C(O)=O,4.000043427276863,L-Cystine
NC(N)=N,704.0,0.0,2.0,0.0,59.072,1.0,0.0,NC(N)=N,2.847572659142112,Guanidine
NC(N)=NC(CS)C(O)=O,6000.0,2.0,2.0,0.0,163.202,4.0,2.0,NC(N)=NC(CS)C(O)=O,3.7781512503836434,N-guanylcysteine
NC(N)=NC(N)=S,1250.0,0.0,2.0,0.0,118.16500000000002,2.0,0.0,NC(N)=NC(N)=S,3.0969100130080562,Guanylthiourea
NC(N)=NC1=NC(CSCCC(N)=NS(N)(=O)=O)=CS1,4049.0,3.0,2.0,0.0,337.456,8.0,2.0,NC(N)=NC1=NC(CSCCC(N)=NS(N)(=O)=O)=CS1,3.6073477767684134,Famotidine
NC(N)=O,10001.0,0.0,2.0,0.0,60.056,1.0,1.0,NC(N)=O,4.000043427276863,Carbamide peroxide
NC(N)=S,1138.0,0.0,2.0,0.0,76.124,1.0,0.0,NC(N)=S,3.056142262059052,Thiourea
NC(N)=[Se],50.0,0.0,2.0,0.0,123.017,1.0,0.0,NC(N)=[Se],1.6989700043360187,Selenourea
NC(N)N=N,500.0,0.0,2.0,0.0,74.087,1.0,0.0,NC(N)N=N,2.6989700043360187,
NC(O)=O,1190.0,1.0,2.0,0.0,61.040000000000006,1.0,2.0,NC(O)=O,3.0755469613925306,Carbamic acid
NC1(CC1)C#N,300.0,1.0,2.0,0.0,82.106,4.0,0.0,NC1(CC1)C#N,2.4771212547196626,1-Aminocyclopropane-1-carbonitrile--hydrogen chloride (1/1)
NC1(CCCC1)C(O)=O,275.0,2.0,2.0,0.0,129.159,6.0,2.0,NC1(CCCC1)C(O)=O,2.439332693830263,1-Aminocyclopentanecarboxylic acid
NC12CC3CC(C1)CC(C2)C3,986.0,3.0,2.0,0.0,151.253,10.0,0.0,NC12CC3CC(C1)CC(C2)C3,2.993876914941211,Amantadine
NC1=C(Br)C=C(O)C2=C1C(=O)C1C(C2=O)=C(O)C=CC=1N,10001.0,4.0,3.0,0.0,349.1400000000001,14.0,4.0,NC1=C(Br)C=C(O)C2=C1C(=O)C1C(C2=O)=C(O)C=CC=1N,4.000043427276863,"9,10-Anthracenedione, 1,8-diamino-2-bromo-4,5-dihydroxy-"
NC1=C(C(C#N)=NN1C1C(Cl)=CC(=CC=1Cl)C(F)(F)F)S(=O)C(F)(F)F,97.5,4.0,1.0,0.0,437.152,12.0,1.0,NC1=C(C(C#N)=NN1C1C(Cl)=CC(=CC=1Cl)C(F)(F)F)S(=O)C(F)(F)F,1.9890046156985368,Fipronil
NC1=C(C=C(O)C2=C1C(=O)C1C=CC=CC=1C2=O)OCCCCCCO,6075.0,4.0,1.0,0.0,355.3900000000001,20.0,5.0,NC1=C(C=C(O)C2=C1C(=O)C1C=CC=CC=1C2=O)OCCCCCCO,3.7835462822703496,"9,10-Anthracenedione, 1-amino-4-hydroxy-2-[(6-hydroxyhexyl)oxy]-"
NC1=C(I)C(=C(I)C=C1I)C(=O)N(CCC(O)=O)C1C=CC=CC=1,2800.0,3.0,1.0,1.0,662.0030000000003,16.0,3.0,NC1=C(I)C(=C(I)C=C1I)C(=O)N(CCC(O)=O)C1C=CC=CC=1,3.4471580313422194,Iobenzamic acid
NC1=C(I)C=C(I)C(C(O)=O)=C1I,3500.0,2.0,2.0,1.0,514.8260000000001,7.0,2.0,NC1=C(I)C=C(I)C(C(O)=O)=C1I,3.5440680443502757,"3-Amino-2,4,6-triiodobenzoic acid"
NC1=C(N)C=NN1CCO,2751.0,1.0,2.0,0.0,142.16199999999998,5.0,1.0,NC1=C(N)C=NN1CCO,3.4394905903896835,"4,5-Diamino-1-(2-hydroxyethyl)pyrazole sulfate"
NC1=C2C(=C(C=C1S(O)(=O)=O)NC1C=C(C=CC=1)S(=O)(=O)CCOS(O)(=O)=O)C(=O)C1=CC=CC=C1C2=O,9097.0,2.0,1.0,3.0,582.5900000000004,22.0,11.0,NC1=C2C(=C(C=C1S(O)(=O)=O)NC1C=C(C=CC=1)S(=O)(=O)CCOS(O)(=O)=O)C(=O)C1=CC=CC=C1C2=O,3.9588981947107715,Reactive Blue 19
NC1=C2C(=C(C=C1S(O)(=O)=O)NC1C=CC=CC=1)C(=O)C1=CC=CC=C1C2=O,10001.0,4.0,2.0,0.0,394.4080000000002,20.0,5.0,NC1=C2C(=C(C=C1S(O)(=O)=O)NC1C=CC=CC=1)C(=O)C1=CC=CC=C1C2=O,4.000043427276863,Acid Blue 25
NC1=C2C(=C(C=C1S(O)(=O)=O)NC1CCCCC1)C(=O)C1=CC=CC=C1C2=O,7991.0,4.0,2.0,0.0,400.4560000000002,20.0,5.0,NC1=C2C(=C(C=C1S(O)(=O)=O)NC1CCCCC1)C(=O)C1=CC=CC=C1C2=O,3.902601130666531,"2-Anthracenesulfonic acid, 1-amino-4-(cyclohexylamino)-9,10-dihydro-9,10-dioxo-, ammonium salt (1:1)"
NC1=C2C(=C(O)C=C1OC1C=CC=CC=1)C(=O)C1C=CC=CC=1C2=O,4944.0,4.0,2.0,0.0,331.32700000000006,20.0,4.0,NC1=C2C(=C(O)C=C1OC1C=CC=CC=1)C(=O)C1C=CC=CC=1C2=O,3.6940784620807596,C.I. Disperse Red 60
NC1=C2C(C(=O)C3C=CC=CC=3C2=O)=C(N)C(OC2C=CC=CC=2)=C1OC1C=CC=CC=1,5000.0,4.0,1.0,1.0,422.4400000000002,26.0,4.0,NC1=C2C(C(=O)C3C=CC=CC=3C2=O)=C(N)C(OC2C=CC=CC=2)=C1OC1C=CC=CC=1,3.6989700043360187,"9,10-Anthracenedione, 1,4-diamino-2,3-diphenoxy-"
NC1=C2C(C=C(C(N=NC3=CC=C(C=C3)S(=O)(=O)CCOS(O)(=O)=O)=C2O)S(O)(=O)=O)=CC(=C1N=NC1=CC=C(C=C1)S(=O)(=O)CCOS(O)(=O)=O)S(O)(=O)=O,6251.0,1.0,1.0,3.0,903.904,26.0,19.0,NC1=C2C(C=C(C(N=NC3=CC=C(C=C3)S(=O)(=O)CCOS(O)(=O)=O)=C2O)S(O)(=O)=O)=CC(=C1N=NC1=CC=C(C=C1)S(=O)(=O)CCOS(O)(=O)=O)S(O)(=O)=O,3.7959494989028033,"2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3,6-bis[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, tetrasodium salt"
NC1=CC(=C(C=C1)C=CC1C=CC(=CC=1S(O)(=O)=O)[N+]([O-])=O)S(O)(=O)=O,10001.0,4.0,1.0,0.0,400.3900000000001,14.0,8.0,NC1=CC(=C(C=C1)C=CC1C=CC(=CC=1S(O)(=O)=O)[N+]([O-])=O)S(O)(=O)=O,4.000043427276863,"Benzenesulfonic acid, 5-amino-2-[2-(4-nitro-2-sulfophenyl)ethenyl]-"
NC1=CC(=C(C=C1)NCCO)[N+]([O-])=O,1000.0,4.0,2.0,0.0,197.194,8.0,3.0,NC1=CC(=C(C=C1)NCCO)[N+]([O-])=O,3.0,HC Red 3
NC1=CC(=C(C=CC2=CC=C(N)C=C2S(O)(=O)=O)C=C1)S(O)(=O)=O,7500.0,4.0,1.0,0.0,370.4080000000001,14.0,6.0,NC1=CC(=C(C=CC2=CC=C(N)C=C2S(O)(=O)=O)C=C1)S(O)(=O)=O,3.8750612633917,"4,4'-Diamino-2,2'-stilbenedisulfonic acid, disodium salt"
NC1=CC(=C(C=CC2C=CC(N)=CC=2S(O)(=O)=O)C=C1)S(O)(=O)=O,4000.0,4.0,1.0,0.0,370.4080000000001,14.0,6.0,NC1=CC(=C(C=CC2C=CC(N)=CC=2S(O)(=O)=O)C=C1)S(O)(=O)=O,3.6020599913279625,"4,4'-Diamino-2,2'-stilbenedisulfonic acid"
NC1=CC(=C(Cl)C=C1)[N+]([O-])=O,400.0,3.0,2.0,0.0,172.57100000000003,6.0,2.0,NC1=CC(=C(Cl)C=C1)[N+]([O-])=O,2.6020599913279625,4-Chloro-3-nitroaniline
NC1=CC(=C(F)C=C1)[N+]([O-])=O,1100.0,1.0,2.0,0.0,156.116,6.0,2.0,NC1=CC(=C(F)C=C1)[N+]([O-])=O,3.041392685158225,4-Fluoro-3-nitroaniline
NC1=CC(=C(N)C=C1)S(O)(=O)=O,3500.0,4.0,2.0,0.0,188.20800000000003,6.0,3.0,NC1=CC(=C(N)C=C1)S(O)(=O)=O,3.5440680443502757,"Benzenesulfonic acid, 2,5-diamino-, potassium salt (1:1)"
NC1=CC(=C(N)C=C1)[N+]([O-])=O,2345.0,2.0,2.0,0.0,153.14100000000002,6.0,2.0,NC1=CC(=C(N)C=C1)[N+]([O-])=O,3.370142847051102,"1,4-Benzenediamine, 2-nitro-, sulfate (1:1)"
NC1=CC(=C(O)C=C1)[N+]([O-])=O,2157.0,1.0,2.0,0.0,154.125,6.0,3.0,NC1=CC(=C(O)C=C1)[N+]([O-])=O,3.333850145102545,4-Amino-2-nitrophenol
NC1=CC(=CC=C1)C(F)(F)F,709.0,2.0,2.0,0.0,161.126,7.0,0.0,NC1=CC(=CC=C1)C(F)(F)F,2.8506462351830666,3-(Trifluoromethyl)aniline
NC1=CC(=CC=C1)OC1(CC=C(C=C1)C1C=CC=CC=1)OC1C=C(N)C=CC=1,3500.0,4.0,1.0,1.0,370.4520000000001,24.0,2.0,NC1=CC(=CC=C1)OC1(CC=C(C=C1)C1C=CC=CC=1)OC1C=C(N)C=CC=1,3.5440680443502757,"3,3'-[[3,4-Dihydro-1,1'-biphenyl]-4,4-diylbis(oxy)]dianiline"
NC1=CC(=CC=C1)S(O)(=O)=O,5500.0,3.0,2.0,0.0,173.193,6.0,3.0,NC1=CC(=CC=C1)S(O)(=O)=O,3.7403626894942437,3-Aminobenzenesulfonic acid
NC1=CC(=CC=C1)[N+]([O-])=O,540.0,1.0,2.0,0.0,138.126,6.0,2.0,NC1=CC(=CC=C1)[N+]([O-])=O,2.7323937598229686,3-Nitroaniline
NC1=CC(=CC=C1Cl)C(N)=O,900.0,3.0,2.0,0.0,170.599,7.0,1.0,NC1=CC(=CC=C1Cl)C(N)=O,2.9542425094393248,"Benzamide, 3-amino-4-chloro-"
NC1=CC(=CC=C1Cl)[N+]([O-])=O,2015.0,3.0,2.0,0.0,172.571,6.0,2.0,NC1=CC(=CC=C1Cl)[N+]([O-])=O,3.3042750504771283,2-Chloro-5-nitroaniline
NC1=CC(=CC=C1N)S(O)(=O)=O,2751.0,4.0,2.0,0.0,188.208,6.0,3.0,NC1=CC(=CC=C1N)S(O)(=O)=O,3.4394905903896835,"Benzenesulfonic acid, 3,4-diamino-"
NC1=CC(Br)=C(O)C2C(=N)C=C(Br)C(=O)C=21,2400.0,4.0,3.0,0.0,345.978,10.0,2.0,NC1=CC(Br)=C(O)C2C(=N)C=C(Br)C(=O)C=21,3.380211241711606,"1(4H)-Naphthalenone, 8-amino-2,6-dibromo-5-hydroxy-4-imino-"
NC1=CC(C(O)=O)=C(C=C1)C(=O)C1C=CC=CC=1,5400.0,4.0,2.0,0.0,241.246,14.0,3.0,NC1=CC(C(O)=O)=C(C=C1)C(=O)C1C=CC=CC=1,3.7323937598229686,"Benzoic acid, 5-amino-2-benzoyl-"
NC1=CC(CC2C=C(N)C=CC=2O)=C(O)C=C1,58.0,4.0,2.0,0.0,230.267,13.0,2.0,NC1=CC(CC2C=C(N)C=CC=2O)=C(O)C=C1,1.7634279935629373,"2,2'-Methylenebis(4-aminophenol) dihydrochloride"
NC1=CC(Cl)=C(C=C1Cl)[N+]([O-])=O,2820.0,3.0,2.0,0.0,207.016,6.0,2.0,NC1=CC(Cl)=C(C=C1Cl)[N+]([O-])=O,3.450249108319361,"2,5-Dichloro-4-nitroaniline"
NC1=CC(Cl)=C(Cl)C=C1,570.0,3.0,2.0,0.0,162.019,6.0,0.0,NC1=CC(Cl)=C(Cl)C=C1,2.7558748556724915,"3,4-Dichloroaniline"
NC1=CC(Cl)=C(Cl)C=C1Cl,6251.0,3.0,2.0,0.0,196.464,6.0,0.0,NC1=CC(Cl)=C(Cl)C=C1Cl,3.7959494989028033,"2,4,5-Trichloroaniline"
NC1=CC(Cl)=C(NC2NCCN=2)C(Cl)=C1,38.0,4.0,2.0,0.0,245.113,9.0,0.0,NC1=CC(Cl)=C(NC2NCCN=2)C(Cl)=C1,1.5797835966168101,Apraclonidine hydrochloride
NC1=CC(Cl)=CC=C1,328.0,1.0,2.0,0.0,127.574,6.0,0.0,NC1=CC(Cl)=CC=C1,2.515873843711679,3-Chloroaniline hydrochloride
NC1=CC(Cl)=CC=C1O,690.0,1.0,2.0,0.0,143.573,6.0,1.0,NC1=CC(Cl)=CC=C1O,2.838849090737255,2-Amino-4-chlorophenol
NC1=CC(Cl)=NC(C(O)=O)=C1Cl,6251.0,3.0,2.0,0.0,207.016,6.0,2.0,NC1=CC(Cl)=NC(C(O)=O)=C1Cl,3.7959494989028033,Aminopyralid
NC1=CC(N)=C(C=C1)OCCO,1000.0,4.0,2.0,0.0,168.196,8.0,2.0,NC1=CC(N)=C(C=C1)OCCO,3.0,"Ethanol, 2-(2,4-diaminophenoxy)-, hydrochloride (1:2)"
NC1=CC(N)=CC=C1,465.0,1.0,2.0,0.0,108.144,6.0,0.0,NC1=CC(N)=CC=C1,2.667452952889954,"1,3-Benzenediamine, sulfate (1:1)"
NC1=CC(N)=CC=C1N=NC1C=CC(=CC=1)N=NC1=C(C=C2C=C(C(N=NC3C=CC(=CC=3)N=NC3=CC=C(N)C=C3N)=C(N)C2=C1O)S(O)(=O)=O)S(O)(=O)=O,2751.0,0.0,0.0,4.0,795.8239999999997,34.0,7.0,NC1=CC(N)=CC=C1N=NC1C=CC(=CC=1)N=NC1=C(C=C2C=C(C(N=NC3C=CC(=CC=3)N=NC3=CC=C(N)C=C3N)=C(N)C2=C1O)S(O)(=O)=O)S(O)(=O)=O,3.4394905903896835,"C.I. Direct Black 19, disodium salt"
NC1=CC(NC(=O)C2=CN=CC=C2)=C(C=C1)C(F)(F)F,800.0,4.0,3.0,0.0,281.237,13.0,1.0,NC1=CC(NC(=O)C2=CN=CC=C2)=C(C=C1)C(F)(F)F,2.9030899869919438,"3-Pyridinecarboxamide, N-(5-amino-2-(trifluoromethyl)phenyl)-, dihydrochloride"
NC1=CC(O)=CC=C1,943.0,1.0,2.0,0.0,109.128,6.0,1.0,NC1=CC(O)=CC=C1,2.9745116927373285,3-Aminophenol
NC1=CC2=C(C=C(C=C2C=C1S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O,10001.0,4.0,2.0,0.0,383.3810000000001,10.0,9.0,NC1=CC2=C(C=C(C=C2C=C1S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O,4.000043427276863,"1,3,6-Naphthalenetrisulfonic acid, 7-amino-, diammonium salt"
NC1=CC2=CC(=CC(=C2C=C1)S(O)(=O)=O)S(O)(=O)=O,3500.0,4.0,3.0,0.0,303.317,10.0,6.0,NC1=CC2=CC(=CC(=C2C=C1)S(O)(=O)=O)S(O)(=O)=O,3.5440680443502757,"1,3-Naphthalenedisulfonic acid, 6-amino-"
NC1=CC2C(=CC(=CC=2S(O)(=O)=O)S(O)(=O)=O)C(=C1)S(O)(=O)=O,2751.0,4.0,2.0,0.0,383.3810000000001,10.0,9.0,NC1=CC2C(=CC(=CC=2S(O)(=O)=O)S(O)(=O)=O)C(=C1)S(O)(=O)=O,3.4394905903896835,"1,3,5-Naphthalenetrisulfonic acid, 7-amino-, trisodium salt"
NC1=CC2C=C(C=C(O)C=2C=C1)S(O)(=O)=O,10001.0,4.0,2.0,0.0,239.252,10.0,4.0,NC1=CC2C=C(C=C(O)C=2C=C1)S(O)(=O)=O,4.000043427276863,7-Amino-4-hydroxynaphthalene-2-sulfonic acid
NC1=CC2C=CC(=CC=2C=C1)S(O)(=O)=O,4625.0,4.0,2.0,0.0,223.253,10.0,3.0,NC1=CC2C=CC(=CC=2C=C1)S(O)(=O)=O,3.6651117370750512,"2-Naphthalenesulfonic acid, 6-amino-, monosodium salt"
NC1=CC2C=CC=CC=2C=C1,727.0,3.0,2.0,0.0,143.189,10.0,0.0,NC1=CC2C=CC=CC=2C=C1,2.8615344108590377,2-Naphthylamine
NC1=CC2N=C(N)OC=2C=C1,1000.0,2.0,2.0,0.0,149.15300000000002,7.0,1.0,NC1=CC2N=C(N)OC=2C=C1,3.0,"Benzoxazole, 2,5-diamino-"
NC1=CC=C(Br)C=C1,456.0,2.0,2.0,0.0,172.02500000000003,6.0,0.0,NC1=CC=C(Br)C=C1,2.658964842664435,"Benzenamine, 4-bromo-, hydrochloride (1:1)"
NC1=CC=C(C2=C1C(=O)C1=CC=CC=C1C2=O)C1=CC=C(N)C2=C1C(=O)C1=CC=CC=C1C2=O,10000.0,4.0,1.0,0.0,444.44600000000025,28.0,4.0,NC1=CC=C(C2=C1C(=O)C1=CC=CC=C1C2=O)C1=CC=C(N)C2=C1C(=O)C1=CC=CC=C1C2=O,4.0,Pigment Red 177
NC1=CC=C(C=C1)C#N,296.0,1.0,2.0,0.0,118.13899999999998,7.0,0.0,NC1=CC=C(C=C1)C#N,2.4712917110589387,"Benzonitrile, 4-amino-"
NC1=CC=C(C=C1)C(=O)CC#N,2263.0,4.0,2.0,0.0,160.17599999999996,9.0,1.0,NC1=CC=C(C=C1)C(=O)CC#N,3.3546845539547285,"Benzenepropanenitrile, 4-amino-.beta.-oxo-"
NC1=CC=C(C=C1)C(F)(F)F,128.0,2.0,2.0,0.0,161.12600000000003,7.0,0.0,NC1=CC=C(C=C1)C(F)(F)F,2.1072099696478683,4-(Trifluoromethyl)anilinium chloride
NC1=CC=C(C=C1)C(O)=O,7187.5,1.0,2.0,0.0,137.138,7.0,2.0,NC1=CC=C(C=C1)C(O)=O,3.856577857697687,"Benzoic acid, 4-amino-, monosodium salt"
NC1=CC=C(C=C1)S(=O)(=O)CCOS(O)(=O)=O,7500.0,4.0,3.0,0.0,281.311,8.0,6.0,NC1=CC=C(C=C1)S(=O)(=O)CCOS(O)(=O)=O,3.8750612633917,"Ethanol, 2-[(4-aminophenyl)sulfonyl]-, hydrogen sulfate (ester)"
NC1=CC=C(C=C1)S(O)(=O)=O,6376.0,3.0,2.0,0.0,173.193,6.0,3.0,NC1=CC=C(C=C1)S(O)(=O)=O,3.804548308388056,Potassium sulphanilate
NC1=CC=C(C=C1)[N+]([O-])=O,1705.0,1.0,2.0,0.0,138.126,6.0,2.0,NC1=CC=C(C=C1)[N+]([O-])=O,3.2317243833285163,4-Nitroaniline
NC1=CC=C(C=C1S(O)(=O)=O)C1C=CC(=CC=1)N1N=C2C=CC3C(=CC(=CC=3S(O)(=O)=O)S(O)(=O)=O)C2=N1,9500.0,2.0,1.0,1.0,576.5900000000003,22.0,9.0,NC1=CC=C(C=C1S(O)(=O)=O)C1C=CC(=CC=1)N1N=C2C=CC3C(=CC(=CC=3S(O)(=O)=O)S(O)(=O)=O)C2=N1,3.9777236052888476,"2H-Naphtho(1,2-d)triazole-6,8-disulfonic acid, 2-(4'-amino-3'-sulfo-1,1'-biphenyl-4-yl)-, tripotassium salt"
NC1=CC=C(C=C1S(O)(=O)=O)N=NC1=CC=C(N=NC2=CC=C(N=NC3C(=CC4=CC(=CC=C4C=3O)NC(=O)C3=CC=CC=C3)S(O)(=O)=O)C3=CC=C(C=C32)S(O)(=O)=O)C2=CC=C(C=C21)S(O)(=O)=O,9607.0,0.0,0.0,4.0,1011.0230000000004,43.0,14.0,NC1=CC=C(C=C1S(O)(=O)=O)N=NC1=CC=C(N=NC2=CC=C(N=NC3C(=CC4=CC(=CC=C4C=3O)NC(=O)C3=CC=CC=C3)S(O)(=O)=O)C3=CC=C(C=C32)S(O)(=O)=O)C2=CC=C(C=C21)S(O)(=O)=O,3.9825877907016625,"2-Naphthalenesulfonic acid, 8-[[4-[(4-amino-3-sulfophenyl)azo]-6-sulfo-1-naphthalenyl]azo]-5-[[6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-, tetrasodium salt"
NC1=CC=C(Cl)C=C1,321.0,1.0,2.0,0.0,127.574,6.0,0.0,NC1=CC=C(Cl)C=C1,2.506505032404872,4-Chloroaniline
NC1=CC=C(Cl)C=C1Cl,3110.0,3.0,2.0,0.0,162.019,6.0,0.0,NC1=CC=C(Cl)C=C1Cl,3.4927603890268375,"2,4-Dichloroaniline"
NC1=CC=C(F)C=C1,420.0,1.0,2.0,0.0,111.119,6.0,0.0,NC1=CC=C(F)C=C1,2.6232492903979003,4-Fluoroaniline
NC1=CC=C(F)C=C1F,820.0,1.0,2.0,0.0,129.109,6.0,0.0,NC1=CC=C(F)C=C1F,2.9138138523837167,"2,4-Difluoroaniline"
NC1=CC=C(I)C=C1,523.0,3.0,2.0,0.0,219.02500000000003,6.0,0.0,NC1=CC=C(I)C=C1,2.718501688867274,"Benzenamine, 4-iodo-"
NC1=CC=C(N)C2=C1C(=O)C1=CC=CC=C1C2=O,5790.0,4.0,2.0,0.0,238.246,14.0,2.0,NC1=CC=C(N)C2=C1C(=O)C1=CC=CC=C1C2=O,3.762678563727436,"1,4-Diaminoanthraquinone"
NC1=CC=C(N=NC2C=CC=CC=2)C(N)=N1,437.5,4.0,2.0,0.0,213.24400000000003,11.0,0.0,NC1=CC=C(N=NC2C=CC=CC=2)C(N)=N1,2.640978057358332,Phenazopyridine
NC1=CC=C(O)C(=C1)C(O)=O,2800.0,1.0,2.0,0.0,153.137,7.0,3.0,NC1=CC=C(O)C(=C1)C(O)=O,3.4471580313422194,5-Aminosalicylic acid
NC1=CC=C(O)C=C1,597.0,1.0,2.0,0.0,109.128,6.0,1.0,NC1=CC=C(O)C=C1,2.775974331129369,4-Aminophenol hydrochloride
NC1=CC=C2C=C(C=C(O)C2=C1N=NC1C=CC(=CC=1)C1C=CC(=CC=1)N=NC1C=C(C(O)=CC=1)C(O)=O)S(O)(=O)=O,10001.0,1.0,0.0,2.0,583.5820000000003,29.0,7.0,NC1=CC=C2C=C(C=C(O)C2=C1N=NC1C=CC(=CC=1)C1C=CC(=CC=1)N=NC1C=C(C(O)=CC=1)C(O)=O)S(O)(=O)=O,4.000043427276863,"C.I. Direct Red 1, disodium salt"
NC1=CC=C2C=CC3=CC=CC4=CC=C1C2=C34,1070.0,4.0,1.0,0.0,217.271,16.0,0.0,NC1=CC=C2C=CC3=CC=CC4=CC=C1C2=C34,3.0293837776852097,1-Aminopyrene
NC1=CC=C2C=CC=CC2=C1S(O)(=O)=O,10001.0,4.0,2.0,0.0,223.253,10.0,3.0,NC1=CC=C2C=CC=CC2=C1S(O)(=O)=O,4.000043427276863,2-Amino-1-naphthalenesulfonic acid
NC1=CC=CC2=C1NC1CCCCC=12,1375.0,4.0,2.0,0.0,186.25799999999995,12.0,0.0,NC1=CC=CC2=C1NC1CCCCC=12,3.1383026981662816,
NC1=CC=CC2=CC(=CC=C21)S(O)(=O)=O,10001.0,4.0,2.0,0.0,223.253,10.0,3.0,NC1=CC=CC2=CC(=CC=C21)S(O)(=O)=O,4.000043427276863,"2-Naphthalenesulfonic acid, 5-amino-"
NC1=CC=CC2C1=C(Cl)C=CC=2Cl,3490.0,4.0,1.0,0.0,212.079,10.0,0.0,NC1=CC=CC2C1=C(Cl)C=CC=2Cl,3.5428254269591797,"1-Naphthylamine, 5,8-dichloro-"
NC1=CC=CC2C=CC=C(N)C1=2,834.0,3.0,2.0,0.0,158.20399999999998,10.0,0.0,NC1=CC=CC2C=CC=C(N)C1=2,2.921166050637739,"1,8-Naphthalenediamine"
NC1=CC=CC2C=CC=CC=21,705.0,3.0,2.0,0.0,143.189,10.0,0.0,NC1=CC=CC2C=CC=CC=21,2.848189116991399,1-Naphthylamine
NC1=CC=CC=C1C(N)=O,2200.0,1.0,2.0,0.0,136.15399999999994,7.0,1.0,NC1=CC=CC=C1C(N)=O,3.342422680822206,2-Aminobenzamide
NC1=CC=CC=C1[N+]([O-])=O,2047.0,1.0,2.0,0.0,138.126,6.0,2.0,NC1=CC=CC=C1[N+]([O-])=O,3.311117842662506,2-Nitroaniline
NC1=CC=CC=N1,200.0,1.0,2.0,0.0,94.117,5.0,0.0,NC1=CC=CC=N1,2.3010299956639813,2-Aminopyridine
NC1=CN=CC=C1,28.0,1.0,2.0,0.0,94.117,5.0,0.0,NC1=CN=CC=C1,1.4471580313422192,3-Pyridinamine
NC1=C[N+](=NO1)N1CCOCC1,761.0,2.0,2.0,0.0,171.18,6.0,2.0,NC1=C[N+](=NO1)N1CCOCC1,2.8813846567705728,3-Morpholinosydnonimine hydrochloride
NC1=NC(=CS1)C(=CCC(O)=O)C(=O)NC1C2SCC=C(C(O)=O)N2C1=O,10000.0,4.0,2.0,0.0,410.4330000000001,15.0,6.0,NC1=NC(=CS1)C(=CCC(O)=O)C(=O)NC1C2SCC=C(C(O)=O)N2C1=O,4.0,Ceftibuten
NC1=NC(=CS1)C1=CC2=CC=CC=C2C=C1,3500.0,4.0,1.0,0.0,226.304,13.0,0.0,NC1=NC(=CS1)C1=CC2=CC=CC=C2C=C1,3.5440680443502757,"4-(Naphthalen-2-yl)-1,3-thiazol-2-amine"
NC1=NC(=NC(C(O)=O)=C1Cl)C1CC1,7500.0,4.0,2.0,0.0,213.624,8.0,2.0,NC1=NC(=NC(C(O)=O)=C1Cl)C1CC1,3.8750612633917,Aminocyclopyrachlor
NC1=NC(=NC(N)=N1)C1=CC(Cl)=CC=C1Cl,2898.0,4.0,3.0,0.0,256.096,9.0,0.0,NC1=NC(=NC(N)=N1)C1=CC(Cl)=CC=C1Cl,3.462098381135156,Irsogladine
NC1=NC(=NC(N)=N1)C1C=CC=CC=1,1272.0,4.0,2.0,0.0,187.206,9.0,0.0,NC1=NC(=NC(N)=N1)C1C=CC=CC=1,3.104487111312395,"6-Phenyl-1,3,5-triazine-2,4-diamine"
NC1=NC(=O)C(O1)C1C=CC=CC=1,436.0,4.0,2.0,0.0,176.17499999999998,9.0,2.0,NC1=NC(=O)C(O1)C1C=CC=CC=1,2.639486489268586,Pemoline
NC1=NC(=O)N=CC1F,9250.0,1.0,2.0,0.0,129.09399999999997,4.0,1.0,NC1=NC(=O)N=CC1F,3.9661417327390325,Flucytosine
NC1=NC(=S)SS1,3050.0,1.0,2.0,0.0,150.253,2.0,0.0,NC1=NC(=S)SS1,3.484299839346786,"1,2,4-Dithiazolidine-3-thione, 5-imino-"
NC1=NC(CC(O)=O)=CS1,3500.0,1.0,2.0,0.0,158.18199999999996,5.0,2.0,NC1=NC(CC(O)=O)=CS1,3.5440680443502757,2-Amino-4-thiazoleacetic acid
NC1=NC(N)=C(N=N1)C1=CC=CC(Cl)=C1Cl,205.0,4.0,3.0,0.0,256.09599999999995,9.0,0.0,NC1=NC(N)=C(N=N1)C1=CC=CC(Cl)=C1Cl,2.311753861055754,Lamotrigine
NC1=NC(NC1(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F,19.0,4.0,2.0,0.0,357.09799999999996,7.0,0.0,NC1=NC(NC1(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F,1.2787536009528289,Midaflur
NC1=NC(NC2CC2)=NC(N)=N1,3387.0,4.0,2.0,0.0,166.188,6.0,0.0,NC1=NC(NC2CC2)=NC(N)=N1,3.5298151966446305,Cyromazine
NC1=NC2=CC=CC=C2O1,600.0,1.0,2.0,0.0,134.13799999999995,7.0,1.0,NC1=NC2=CC=CC=C2O1,2.7781512503836434,Benzoxazol-2-amine
NC1=NC2C=C(Br)C=CC=2O1,1000.0,3.0,2.0,0.0,213.034,7.0,1.0,NC1=NC2C=C(Br)C=CC=2O1,3.0,"Benzoxazole, 2-amino-5-bromo-"
NC1=NC2C=C(Cl)C=CC=2O1,782.0,3.0,2.0,0.0,168.58299999999997,7.0,1.0,NC1=NC2C=C(Cl)C=CC=2O1,2.893206753059848,Zoxazolamine
NC1=NC2C=CC(=CC=2S1)OC(F)(F)F,45.0,4.0,2.0,0.0,234.2019999999999,8.0,1.0,NC1=NC2C=CC(=CC=2S1)OC(F)(F)F,1.6532125137753437,Riluzole
NC1=NC2C=CC(Br)=CC=2O1,500.0,3.0,2.0,0.0,213.03399999999996,7.0,1.0,NC1=NC2C=CC(Br)=CC=2O1,2.6989700043360187,"Benzoxazole, 2-amino-6-bromo-"
NC1=NC2CCC(N)CC=2S1,888.0,4.0,2.0,0.0,169.25299999999996,7.0,0.0,NC1=NC2CCC(N)CC=2S1,2.948412965778601,"(S)-2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole"
NC1=NC=C(Br)C=C1O,2751.0,2.0,2.0,0.0,189.012,5.0,1.0,NC1=NC=C(Br)C=C1O,3.4394905903896835,2-amino-5-bromopyridin-3-ol
NC1=NC=CN=C1C(O)=O,2751.0,1.0,2.0,0.0,139.114,5.0,2.0,NC1=NC=CN=C1C(O)=O,3.4394905903896835,3-Aminopyrazine-2-carboxylic acid
NC1=NC=CS1,480.0,1.0,2.0,0.0,100.146,3.0,0.0,NC1=NC=CS1,2.681241237375587,"2-Thiazolamine, nitrate (1:1)"
NC1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O,3500.0,3.0,3.0,0.0,267.245,10.0,4.0,NC1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O,3.5440680443502757,Adenosine
NC1=NC=NC2=C1N=CN2C1OC(COP(O)(O)=O)C(O)C1O,3500.0,3.0,2.0,0.0,347.224,10.0,7.0,NC1=NC=NC2=C1N=CN2C1OC(COP(O)(O)=O)C(O)C1O,3.5440680443502757,Adenosine-5-phosphate
NC1=NC=NC2=NC=CN=C21,745.0,1.0,2.0,0.0,147.14099999999996,6.0,0.0,NC1=NC=NC2=NC=CN=C21,2.8721562727482928,4-Pteridinamine (9CI)
NC1=NC=NC2NC=NC=21,227.0,1.0,2.0,0.0,135.13,5.0,0.0,NC1=NC=NC2NC=NC=21,2.3560258571931225,"9H-Purin-6-amine, hydrochloride (1:1)"
NC1=NCC(O1)C1C=CC=CC=1,25.0,4.0,2.0,0.0,162.19199999999998,9.0,1.0,NC1=NCC(O1)C1C=CC=CC=1,1.3979400086720377,
NC1=NCC2C3=CC=CC=C3CC3=CC=CC=C3N12,296.0,4.0,2.0,0.0,249.317,16.0,0.0,NC1=NCC2C3=CC=CC=C3CC3=CC=CC=C3N12,2.4712917110589387,Epinastine
NC1=NN=C(C=CC2=CC=C(O2)[N+]([O-])=O)S1,1875.0,4.0,2.0,0.0,238.228,8.0,3.0,NC1=NN=C(C=CC2=CC=C(O2)[N+]([O-])=O)S1,3.2730012720637376,
NC1=NN=CS1,253.0,1.0,2.0,0.0,101.134,2.0,0.0,NC1=NN=CS1,2.403120521175818,"2-Amino-1,3,4-thiadiazole"
NC1C(=CC(=C2C=CC=CC=12)S(O)(=O)=O)N=NC1C=CC(=CC=1)C1C=CC(=CC=1)N=NC1C=C(C2=CC=CC=C2C=1N)S(O)(=O)=O,10001.0,1.0,0.0,2.0,652.7140000000003,32.0,6.0,NC1C(=CC(=C2C=CC=CC=12)S(O)(=O)=O)N=NC1C=CC(=CC=1)C1C=CC(=CC=1)N=NC1C=C(C2=CC=CC=C2C=1N)S(O)(=O)=O,4.000043427276863,C.I. Direct Red 28 parent
NC1C(=CC(Cl)=CC=1Cl)C(O)=O,4120.0,3.0,2.0,0.0,206.028,7.0,2.0,NC1C(=CC(Cl)=CC=1Cl)C(O)=O,3.6148972160331345,"Anthranilic acid, 3,5-dichloro-"
NC1C(=CC(Cl)=CC=1[N+]([O-])=O)[N+]([O-])=O,400.0,3.0,2.0,0.0,217.568,6.0,4.0,NC1C(=CC(Cl)=CC=1[N+]([O-])=O)[N+]([O-])=O,2.6020599913279625,"4-Chloro-2,6-dinitroaniline"
NC1C(=CC=CC=1CC(O)=O)C(=O)C1C=CC=CC=1,311.0,4.0,3.0,0.0,255.273,15.0,3.0,NC1C(=CC=CC=1CC(O)=O)C(=O)C1C=CC=CC=1,2.4927603890268375,Amfenac sodium
NC1C(Br)=CC(=CC=1Br)[N+]([O-])=O,500.0,3.0,3.0,0.0,295.918,6.0,2.0,NC1C(Br)=CC(=CC=1Br)[N+]([O-])=O,2.6989700043360187,"2,6-Dibromo-4-nitroaniline"
NC1C(Br)=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O,4100.0,3.0,3.0,0.0,262.019,6.0,4.0,NC1C(Br)=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O,3.6127838567197355,"2-Bromo-4,6-dinitroaniline"
NC1C(Br)=CC(Br)=CC=1CNC1CCC(O)CC1,4203.0,4.0,2.0,0.0,378.10800000000023,13.0,1.0,NC1C(Br)=CC(Br)=CC=1CNC1CCC(O)CC1,3.623559390005437,Ambroxolhydrochloride
NC1C(CNC2CCC(O)CC2)=CC(Br)=CC=1Br,10001.0,4.0,2.0,0.0,378.10800000000023,13.0,1.0,NC1C(CNC2CCC(O)CC2)=CC(Br)=CC=1Br,4.000043427276863,Ambroxol
NC1C(Cl)=C(C=CC=1[N+]([O-])=O)OC1C=CC=CC=1,6375.0,4.0,2.0,0.0,264.668,12.0,3.0,NC1C(Cl)=C(C=CC=1[N+]([O-])=O)OC1C=CC=CC=1,3.804480189105993,Aclonifen
NC1C(Cl)=C(N=C(Cl)C=1Cl)C(O)=O,768.0,3.0,2.0,0.0,241.461,6.0,2.0,NC1C(Cl)=C(N=C(Cl)C=1Cl)C(O)=O,2.885361220031512,Picloram-potassium
NC1C(Cl)=C(N=C(F)C=1Cl)OCC(O)=O,3331.0,4.0,3.0,0.0,255.032,7.0,3.0,NC1C(Cl)=C(N=C(F)C=1Cl)OCC(O)=O,3.522574632691177,Fluroxypyr
NC1C(Cl)=CC(=CC=1Cl)C(=O)NC1CC1,170.0,4.0,2.0,0.0,245.109,10.0,1.0,NC1C(Cl)=CC(=CC=1Cl)C(=O)NC1CC1,2.230448921378274,"Benzamide, 4-amino-N-cyclopropyl-3,5-dichloro-"
NC1C(Cl)=CC(=CC=1Cl)C(F)(F)F,1978.0,3.0,1.0,0.0,230.01599999999996,7.0,0.0,NC1C(Cl)=CC(=CC=1Cl)C(F)(F)F,3.2962262872611605,"4-Amino-3,5-dichlorobenzotrifluoride"
NC1C(Cl)=CC(=CC=1Cl)C(O)=O,4618.0,3.0,2.0,0.0,206.028,7.0,2.0,NC1C(Cl)=CC(=CC=1Cl)C(O)=O,3.6644539285811577,"4-Amino-3,5-dichlorobenzoic acid"
NC1C(Cl)=CC(=CC=1Cl)[N+]([O-])=O,2400.0,3.0,2.0,0.0,207.016,6.0,2.0,NC1C(Cl)=CC(=CC=1Cl)[N+]([O-])=O,3.380211241711606,Dicloran
NC1C(Cl)=CC(Cl)=CC=1Cl,2400.0,3.0,2.0,0.0,196.464,6.0,0.0,NC1C(Cl)=CC(Cl)=CC=1Cl,3.380211241711606,"2,4,6-Trichloroaniline hydrochloride"
NC1C(Cl)=CC(N)=CC=1Cl,700.0,3.0,2.0,0.0,177.03400000000002,6.0,0.0,NC1C(Cl)=CC(N)=CC=1Cl,2.845098040014257,"2,6-Dichloro-1,4-benzenediamine"
NC1C(I)=C(C(I)=C(C=1I)C(=O)Cl)C(=O)Cl,2751.0,2.0,1.0,1.0,595.7270000000001,8.0,2.0,NC1C(I)=C(C(I)=C(C=1I)C(=O)Cl)C(=O)Cl,3.4394905903896835,"5-Amino-2,4,6-triiodoisophthaloyl dichloride"
NC1C(I)=C(C(I)=C(C=1I)C(O)=O)C(O)=O,4063.0,3.0,2.0,1.0,558.835,8.0,4.0,NC1C(I)=C(C(I)=C(C=1I)C(O)=O)C(O)=O,3.6088468223264116,"5-Amino-2,4,6-triiodoisophthalic acid"
NC1C(N=NC2C=CC(=CC=2)[N+]([O-])=O)=C(C=C2C=C(C(N=NC3C=CC(=CC=3)C3C=CC(=CC=3)N=NC3C=CC(O)=CC=3)=C(O)C2=1)S(O)(=O)=O)S(O)(=O)=O,10001.0,0.0,0.0,4.0,768.7460000000001,34.0,10.0,NC1C(N=NC2C=CC(=CC=2)[N+]([O-])=O)=C(C=C2C=C(C(N=NC3C=CC(=CC=3)C3C=CC(=CC=3)N=NC3C=CC(O)=CC=3)=C(O)C2=1)S(O)(=O)=O)S(O)(=O)=O,4.000043427276863,Direct Green 6
NC1C2=C(C(=CC=1S(O)(=O)=O)NC1=CC(NC3N=C(Cl)N=C(Cl)N=3)=C(C=C1)S(O)(=O)=O)C(=O)C1=CC=CC=C1C2=O,8980.0,2.0,0.0,3.0,637.4390000000002,23.0,8.0,NC1C2=C(C(=CC=1S(O)(=O)=O)NC1=CC(NC3N=C(Cl)N=C(Cl)N=3)=C(C=C1)S(O)(=O)=O)C(=O)C1=CC=CC=C1C2=O,3.9532763366673045,"2-Anthracenesulfonic acid, 1-amino-4-[[3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-"
NC1C2=C(C(=CC=1S(O)(=O)=O)NC1C=C(NC3N=C(Cl)N=C(Cl)N=3)C(=CC=1)S(O)(=O)=O)C(=O)C1=CC=CC=C1C2=O,8980.0,2.0,0.0,3.0,637.4390000000002,23.0,8.0,NC1C2=C(C(=CC=1S(O)(=O)=O)NC1C=C(NC3N=C(Cl)N=C(Cl)N=3)C(=CC=1)S(O)(=O)=O)C(=O)C1=CC=CC=C1C2=O,3.9532763366673045,"2-Anthracenesulfonic acid, 1-amino-4-[[3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-sulfophenyl]amino]-9,10-dihydro-9,10-dioxo-, disodium salt"
NC1C2=C(C(O)=CC=1OCCOC(=O)OC1C=CC=CC=1)C(=O)C1C=CC=CC=1C2=O,2751.0,4.0,2.0,0.0,419.38900000000024,23.0,7.0,NC1C2=C(C(O)=CC=1OCCOC(=O)OC1C=CC=CC=1)C(=O)C1C=CC=CC=1C2=O,3.4394905903896835,"Carbonic acid, 2-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]ethyl phenyl ester"
NC1C2C(O)CCCC=2N=C2C=CC=CC2=1,176.0,4.0,2.0,0.0,214.26799999999992,13.0,1.0,NC1C2C(O)CCCC=2N=C2C=CC=CC2=1,2.24551266781415,Hydroxytacrine maleate
NC1C2C=CC=CC=2N=C2CCCCC2=1,70.0,4.0,2.0,0.0,198.26899999999992,13.0,0.0,NC1C2C=CC=CC=2N=C2CCCCC2=1,1.845098040014257,Tacrine
NC1C=C(Br)C(O)=C2C=1C(O)=C1C(=C2O)C(N)=CC(Br)=C1O,10000.0,4.0,1.0,0.0,430.05200000000013,14.0,4.0,NC1C=C(Br)C(O)=C2C=1C(O)=C1C(=C2O)C(N)=CC(Br)=C1O,4.0,C.I. Disperse Blue 56
NC1C=C(C(=CC=1)[N+]([O-])=O)C(F)(F)F,175.0,3.0,2.0,0.0,206.123,7.0,2.0,NC1C=C(C(=CC=1)[N+]([O-])=O)C(F)(F)F,2.2430380486862944,3-Trifluoromethyl-4-nitroanilide
NC1C=C(C(O)=C2C=1C(=O)C1=C(C2=O)C(N)=CC(=C1O)S(O)(=O)=O)S(O)(=O)=O,3750.0,3.0,1.0,0.0,430.3720000000002,14.0,10.0,NC1C=C(C(O)=C2C=1C(=O)C1=C(C2=O)C(N)=CC(=C1O)S(O)(=O)=O)S(O)(=O)=O,3.574031267727719,Acid Blue 45
NC1C=C(C2=CC=CC(=C2C=1)S(O)(=O)=O)S(O)(=O)=O,10001.0,4.0,3.0,0.0,303.31700000000006,10.0,6.0,NC1C=C(C2=CC=CC(=C2C=1)S(O)(=O)=O)S(O)(=O)=O,4.000043427276863,"1,5-Naphthalenedisulfonic acid, 3-amino-"
NC1C=C(C=C(C=1)C(O)=O)C(O)=O,1600.0,4.0,2.0,0.0,181.147,8.0,4.0,NC1C=C(C=C(C=1)C(O)=O)C(O)=O,3.2041199826559246,5-Aminoisophthalic acid
NC1C=C(C=C(Cl)C=1O)[N+]([O-])=O,3500.0,3.0,2.0,0.0,188.57,6.0,3.0,NC1C=C(C=C(Cl)C=1O)[N+]([O-])=O,3.5440680443502757,2-Amino-6-chloro-4-nitrophenol
NC1C=C(C=C2C=C(C(N=NC3C=CC(=CC=3)C3C=CC(=CC=3)N=NC3C(=CC4=CC(=CC(N)=C4C=3O)S(O)(=O)=O)S(O)(=O)=O)=C(O)C=12)S(O)(=O)=O)S(O)(=O)=O,8760.0,0.0,0.0,4.0,844.8400000000003,32.0,14.0,NC1C=C(C=C2C=C(C(N=NC3C=CC(=CC=3)C3C=CC(=CC=3)N=NC3C(=CC4=CC(=CC(N)=C4C=3O)S(O)(=O)=O)S(O)(=O)=O)=C(O)C=12)S(O)(=O)=O)S(O)(=O)=O,3.9425041061680806,C.I. Direct Blue 6
NC1C=C(C=CC=1)N(CCO)CCO,246.0,4.0,1.0,0.0,196.25,10.0,2.0,NC1C=C(C=CC=1)N(CCO)CCO,2.3909351071033793,
NC1C=C(C=CC=1Cl)C(O)=O,8000.0,3.0,2.0,0.0,171.58299999999997,7.0,2.0,NC1C=C(C=CC=1Cl)C(O)=O,3.9030899869919438,3-Amino-4-chlorobenzoic acid
NC1C=C(C=CC=1N)[N+]([O-])=O,1821.0,2.0,2.0,0.0,153.141,6.0,2.0,NC1C=C(C=CC=1N)[N+]([O-])=O,3.26030994579492,"1,2-Benzenediamine, 4-nitro-, hydrochloride (1:2)"
NC1C=C(C=CC=1O)C1C=CC=CC=1,2262.0,4.0,2.0,0.0,185.226,12.0,1.0,NC1C=C(C=CC=1O)C1C=CC=CC=1,3.3544926005894364,"[1,1'-Biphenyl]-4-ol, 3-amino-"
NC1C=C(C=CC=1O)[N+]([O-])=O,2400.0,1.0,2.0,0.0,154.125,6.0,3.0,NC1C=C(C=CC=1O)[N+]([O-])=O,3.380211241711606,2-Amino-4-nitrophenol
NC1C=C(Cl)C(Cl)=CC=1S(O)(=O)=O,7500.0,3.0,2.0,0.0,242.083,6.0,3.0,NC1C=C(Cl)C(Cl)=CC=1S(O)(=O)=O,3.8750612633917,"Benzenesulfonic acid, 2-amino-4,5-dichloro-"
NC1C=C(Cl)C(N)=CC=1Cl,1750.0,3.0,2.0,0.0,177.03400000000002,6.0,0.0,NC1C=C(Cl)C(N)=CC=1Cl,3.2430380486862944,"1,4-Benzenediamine, 2,5-dichloro-"
NC1C=C(Cl)C=C(C(O)=O)C=1Cl,4030.0,3.0,2.0,0.0,206.028,7.0,2.0,NC1C=C(Cl)C=C(C(O)=O)C=1Cl,3.6053050461411096,Chloramben
NC1C=C(Cl)C=CC=1Cl,1600.0,3.0,2.0,0.0,162.019,6.0,0.0,NC1C=C(Cl)C=CC=1Cl,3.2041199826559246,"2,5-Dichloroaniline"
NC1C=C(Cl)C=CC=1OC1C=CC(Cl)=CC=1Cl,2287.0,4.0,2.0,1.0,288.56100000000004,12.0,1.0,NC1C=C(Cl)C=CC=1OC1C=CC(Cl)=CC=1Cl,3.3592661646067485,"5-Chloro-2-(2,4-dichlorophenoxy)aniline"
NC1C=C(N)C(=CC=1)N=NC1=CC(=CC=C1)N=NC1=CC=C(N)C=C1N,2530.0,4.0,1.0,0.0,346.39800000000014,18.0,0.0,NC1C=C(N)C(=CC=1)N=NC1=CC(=CC=C1)N=NC1=CC=C(N)C=C1N,3.403120521175818,Bismack brown Y- parent
NC1C=C(N)C(=CC=1)N=NC1C=CC(=CC=1)C1C=CC(=CC=1)N=NC1C(=CC2=CC(=C(N=NC3C=CC=CC=3)C(O)=C2C=1N)S(O)(=O)=O)S(O)(=O)=O,7600.0,0.0,0.0,4.0,737.7800000000001,34.0,7.0,NC1C=C(N)C(=CC=1)N=NC1C=CC(=CC=1)C1C=CC(=CC=1)N=NC1C(=CC2=CC(=C(N=NC3C=CC=CC=3)C(O)=C2C=1N)S(O)(=O)=O)S(O)(=O)=O,3.8808135922807914,C.I. Direct Black 38
NC1C=C(N)C(=CC=1)N=NC1C=CC=CC=1,3997.5,4.0,2.0,0.0,212.25600000000003,12.0,0.0,NC1C=C(N)C(=CC=1)N=NC1C=CC=CC=1,3.6017884724182725,"1,3-Benzenediamine, 4-(2-phenyldiazenyl)-, acetate (1:1)"
NC1C=C(N)C(=CC=1)S(O)(=O)=O,3480.0,4.0,2.0,0.0,188.208,6.0,3.0,NC1C=C(N)C(=CC=1)S(O)(=O)=O,3.5415792439465807,"2,4-Diaminobenzenesulfonic acid"
NC1C=C(N)C(=CC=1)[N+]([O-])=O,3150.0,2.0,2.0,0.0,153.141,6.0,2.0,NC1C=C(N)C(=CC=1)[N+]([O-])=O,3.4983105537896004,"4-Nitro-1,3-benzenediamine"
NC1C=C(N)C(=CC=1N=NC1=CC(=CC=C1O)[N+]([O-])=O)S(O)(=O)=O,3500.0,4.0,1.0,0.0,353.3160000000001,12.0,6.0,NC1C=C(N)C(=CC=1N=NC1=CC(=CC=C1O)[N+]([O-])=O)S(O)(=O)=O,3.5440680443502757,"Benzenesulfonic acid, 2,4-diamino-5-[(2-hydroxy-5-nitrophenyl)azo]-, monosodium salt"
NC1C=C(N)C(O)=CC=1,240.0,1.0,2.0,0.0,124.143,6.0,1.0,NC1C=C(N)C(O)=CC=1,2.380211241711606,"2,4-Diaminophenol"
NC1C=C(O)C(=CC=1)C(O)=O,8000.0,1.0,2.0,0.0,153.137,7.0,3.0,NC1C=C(O)C(=CC=1)C(O)=O,3.9030899869919438,Sodium 4-aminosalicylate dihydrate
NC1C=C2C(=CC=1)C(=O)C1C=CC=CC=1C2=O,3200.0,4.0,2.0,0.0,223.231,14.0,2.0,NC1C=C2C(=CC=1)C(=O)C1C=CC=CC=1C2=O,3.505149978319906,2-Aminoanthraquinone
NC1C=C2C(C=C(C(N=NC3C=CC(=CC=3)C3C=CC(=CC=3)N=NC3C(=CC4=CC(=CC(N)=C4C=3O)S(O)(=O)=O)S(O)(=O)=O)=C2O)S(O)(=O)=O)=CC=1,6450.0,0.0,0.0,4.0,764.7760000000003,32.0,11.0,NC1C=C2C(C=C(C(N=NC3C=CC(=CC=3)C3C=CC(=CC=3)N=NC3C(=CC4=CC(=CC(N)=C4C=3O)S(O)(=O)=O)S(O)(=O)=O)=C2O)S(O)(=O)=O)=CC=1,3.8095597146352675,C.I. Direct Blue 2
NC1C=C2C(C=C(C(N=NC3C=CC(=CC=3)C3C=CC(=CC=3)N=NC3C=C(C(O)=CC=3)C(O)=O)=C2O)S(O)(=O)=O)=CC=1,10000.0,1.0,0.0,2.0,583.5820000000003,29.0,7.0,NC1C=C2C(C=C(C(N=NC3C=CC(=CC=3)C3C=CC(=CC=3)N=NC3C=C(C(O)=CC=3)C(O)=O)=C2O)S(O)(=O)=O)=CC=1,4.0,C.I. Direct brown 2
NC1C=C2C(CCC2=CC=1C1CCCCC1)C(O)=O,54.0,4.0,3.0,0.0,259.3489999999999,16.0,2.0,NC1C=C2C(CCC2=CC=1C1CCCCC1)C(O)=O,1.7323937598229686,
NC1C=C2C=C(C(N=NC3C=CC(=CC=3)N=NC3C=CC(=CC=3)S(O)(=O)=O)=C(O)C2=CC=1)S(O)(=O)=O,2516.0,2.0,0.0,2.0,527.5400000000002,22.0,7.0,NC1C=C2C=C(C(N=NC3C=CC(=CC=3)N=NC3C=CC(=CC=3)S(O)(=O)=O)=C(O)C2=CC=1)S(O)(=O)=O,3.400710636773231,"7-Amino-4-hydroxy-3-(4-(4-(sulfophenyl)azo)phenylazo)-2-naphthalenesulfonic acid, disodium salt"
NC1C=C2N=C(NC2=CC=1)C1C=CC(N)=CC=1,7500.0,4.0,2.0,0.0,224.267,13.0,0.0,NC1C=C2N=C(NC2=CC=1)C1C=CC(N)=CC=1,3.8750612633917,"1H-Benzimidazol-5-amine, 2-(4-aminophenyl)-"
NC1C=C2NC(=O)NC2=CC=1,10001.0,2.0,2.0,0.0,149.15300000000002,7.0,1.0,NC1C=C2NC(=O)NC2=CC=1,4.000043427276863,"2H-Benzimidazol-2-one, 5-amino-1,3-dihydro-"
NC1C=CC(=C2C=CC=C(C2=1)S(O)(=O)=O)S(O)(=O)=O,10001.0,4.0,3.0,0.0,303.31700000000006,10.0,6.0,NC1C=CC(=C2C=CC=C(C2=1)S(O)(=O)=O)S(O)(=O)=O,4.000043427276863,"1,5-Naphthalenedisulfonic acid, 4-amino-"
NC1C=CC(=C2C=CC=C(O)C2=1)S(O)(=O)=O,6210.0,4.0,2.0,0.0,239.252,10.0,4.0,NC1C=CC(=C2C=CC=C(O)C2=1)S(O)(=O)=O,3.79309160017658,"1-Naphthalenesulfonic acid, 4-amino-5-hydroxy-"
NC1C=CC(=CC=1)/C(/O)=N/C1C=CC(=CC=1)C(N)=O,2751.0,4.0,3.0,0.0,255.277,14.0,2.0,NC1C=CC(=CC=1)/C(/O)=N/C1C=CC(=CC=1)C(N)=O,3.4394905903896835,4-amino-N-[4-(aminocarbonyl)phenyl]benzamide
NC1C=CC(=CC=1)C(=O)NC1=CC=CC=C1N,95.0,4.0,2.0,0.0,227.267,13.0,1.0,NC1C=CC(=CC=1)C(=O)NC1=CC=CC=C1N,1.9777236052888478,Dianiline
NC1C=CC(=CC=1)C(C1C=CC(N)=CC=1)C1C=CC(N)=CC=1,3500.0,4.0,2.0,0.0,289.382,19.0,0.0,NC1C=CC(=CC=1)C(C1C=CC(N)=CC=1)C1C=CC(N)=CC=1,3.5440680443502757,"Benzeneamine, 4,4',4''-methylidynetris- (9CI)"
NC1C=CC(=CC=1)C(N)=O,2751.0,1.0,2.0,0.0,136.154,7.0,1.0,NC1C=CC(=CC=1)C(N)=O,3.4394905903896835,4-Aminobenzamide
NC1C=CC(=CC=1)C1=CC=C(N)C=C1[N+]([O-])=O,3500.0,4.0,2.0,0.0,229.239,12.0,2.0,NC1C=CC(=CC=1)C1=CC=C(N)C=C1[N+]([O-])=O,3.5440680443502757,2-Nitrobenzidine
NC1C=CC(=CC=1)C1=CC=CC=C1N,311.0,4.0,2.0,0.0,184.242,12.0,0.0,NC1C=CC(=CC=1)C1=CC=CC=C1N,2.4927603890268375,"2,4'-Biphenyldiamine"
NC1C=CC(=CC=1)C1C=CC(N)=CC=1,309.0,4.0,2.0,0.0,184.242,12.0,0.0,NC1C=CC(=CC=1)C1C=CC(N)=CC=1,2.4899584794248346,Benzidine acetate
NC1C=CC(=CC=1)C1C=CC=CC=1,500.0,4.0,2.0,0.0,169.227,12.0,0.0,NC1C=CC(=CC=1)C1C=CC=CC=1,2.6989700043360187,4-Biphenylamine hydrochloride
NC1C=CC(=CC=1)C1NOC(=O)N=1,2300.0,4.0,2.0,0.0,177.16300000000004,8.0,2.0,NC1C=CC(=CC=1)C1NOC(=O)N=1,3.361727836017593,"3-(4-aminophenyl)-1,2,4-oxadiazol-5(4H)-one"
NC1C=CC(=CC=1)N(C1C=CC=CC=1)C1C=CC(N)=CC=1,330.0,4.0,2.0,0.0,275.355,18.0,0.0,NC1C=CC(=CC=1)N(C1C=CC=CC=1)C1C=CC(N)=CC=1,2.5185139398778875,"1,4-Benzenediamine, N-(4-aminophenyl)-N-phenyl-"
NC1C=CC(=CC=1)N=NC1C(=CC2=CC(=C(N=NC3C=CC=CC=3)C(O)=C2C=1N)S(O)(=O)=O)S(O)(=O)=O,3000.0,2.0,0.0,4.0,542.5550000000002,22.0,7.0,NC1C=CC(=CC=1)N=NC1C(=CC2=CC(=C(N=NC3C=CC=CC=3)C(O)=C2C=1N)S(O)(=O)=O)S(O)(=O)=O,3.4771212547196626,C.I. Acid Green 20
NC1C=CC(=CC=1)N=NC1C=CC(O)=CC=1,1950.0,4.0,2.0,0.0,213.24000000000004,12.0,1.0,NC1C=CC(=CC=1)N=NC1C=CC(O)=CC=1,3.290034611362518,"Phenol, 4-[(4-aminophenyl)azo]-"
NC1C=CC(=CC=1)N=NC1C=CC=CC=1,1250.0,4.0,1.0,0.0,197.24100000000004,12.0,0.0,NC1C=CC(=CC=1)N=NC1C=CC=CC=1,3.0969100130080562,"Benzenamine, 4-(2-phenyldiazenyl)-, hydrochloride (1:1)"
NC1C=CC(=CC=1)NC1C=CC(=CC=1S(O)(=O)=O)[N+]([O-])=O,7720.0,4.0,3.0,0.0,309.303,12.0,5.0,NC1C=CC(=CC=1)NC1C=CC(=CC=1S(O)(=O)=O)[N+]([O-])=O,3.887617300335736,"Benzenesulfonic acid, 2-[(4-aminophenyl)amino]-5-nitro-"
NC1C=CC(=CC=1)NC1C=CC=CC=1,560.0,4.0,2.0,0.0,184.242,12.0,0.0,NC1C=CC(=CC=1)NC1C=CC=CC=1,2.7481880270062002,"N-Phenyl-1,4-benzenediamine hydrochloride"
NC1C=CC(=CC=1)NS(=O)(=O)C1C=CC(N)=CC=1,7100.0,4.0,3.0,0.0,263.322,12.0,2.0,NC1C=CC(=CC=1)NS(=O)(=O)C1C=CC(N)=CC=1,3.8512583487190755,"Benzenesulfonamide, 4-amino-N-(4-aminophenyl)-"
NC1C=CC(=CC=1)OC1C=CC(=CC=1)C(C1C=CC(=CC=1)OC1C=CC(N)=CC=1)(C(F)(F)F)C(F)(F)F,1340.0,2.0,0.0,2.0,518.4570000000001,27.0,2.0,NC1C=CC(=CC=1)OC1C=CC(=CC=1)C(C1C=CC(=CC=1)OC1C=CC(N)=CC=1)(C(F)(F)F)C(F)(F)F,3.1271047983648077,"Benzenamine, 4,4'-[[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis(4,1-phenyleneoxy)]bis-"
NC1C=CC(=CC=1)OC1C=CC(=CC=1)S(=O)(=O)C1C=CC(=CC=1)OC1C=CC(N)=CC=1,220.0,4.0,0.0,1.0,432.50100000000015,24.0,4.0,NC1C=CC(=CC=1)OC1C=CC(=CC=1)S(=O)(=O)C1C=CC(=CC=1)OC1C=CC(N)=CC=1,2.342422680822206,"Benzenamine, 4,4'-[sulfonylbis(4,1-phenyleneoxy)]bis-"
NC1C=CC(=CC=1)OC1C=CC(N)=CC=1,725.0,4.0,2.0,0.0,200.241,12.0,1.0,NC1C=CC(=CC=1)OC1C=CC(N)=CC=1,2.8603380065709936,"4,4'-Oxydianiline"
NC1C=CC(=CC=1)S(=O)(=O)C1C=CC(N)=CC=1,1000.0,4.0,2.0,0.0,248.307,12.0,2.0,NC1C=CC(=CC=1)S(=O)(=O)C1C=CC(N)=CC=1,3.0,Dapsone
NC1C=CC(=CC=1)S(=O)(=O)N=C1N=CCC=N1,10000.0,4.0,3.0,0.0,250.283,10.0,2.0,NC1C=CC(=CC=1)S(=O)(=O)N=C1N=CCC=N1,4.0,Sulfadiazine silver
NC1C=CC(=CC=1)S(=O)(=O)NC(N)=S,3000.0,4.0,2.0,0.0,231.302,7.0,2.0,NC1C=CC(=CC=1)S(=O)(=O)NC(N)=S,3.4771212547196626,Sulfathiourea
NC1C=CC(=CC=1)S(=O)(=O)NC1=CC=CC=N1,10001.0,4.0,2.0,0.0,249.29500000000004,11.0,2.0,NC1C=CC(=CC=1)S(=O)(=O)NC1=CC=CC=N1,4.000043427276863,Sulfapyridine
NC1C=CC(=CC=1)S(=O)(=O)NC1=CN=C2C=CC=CC2=N1,1435.0,4.0,3.0,0.0,300.3430000000001,14.0,2.0,NC1C=CC(=CC=1)S(=O)(=O)NC1=CN=C2C=CC=CC2=N1,3.156851901070011,Sulfaquinoxaline
NC1C=CC(=CC=1)S(=O)(=O)NC1C=CC=CN=1,2994.0,4.0,2.0,0.0,249.29500000000004,11.0,2.0,NC1C=CC(=CC=1)S(=O)(=O)NC1C=CC=CN=1,3.4762517960070336,"Benzenesulfonamide, 4-amino-N-2-pyridinyl-, monosodium salt"
NC1C=CC(=CC=1)S(N)(=O)=O,3900.0,3.0,2.0,0.0,172.20900000000003,6.0,2.0,NC1C=CC(=CC=1)S(N)(=O)=O,3.591064607026499,Sulfanilamide
NC1C=CC(=CC=1)SC1C=CC(N)=CC=1,1000.0,4.0,2.0,0.0,216.30900000000003,12.0,0.0,NC1C=CC(=CC=1)SC1C=CC(N)=CC=1,3.0,"4,4'-Thiodianiline"
NC1C=CC(=CC=1C#N)[N+]([O-])=O,3884.0,3.0,2.0,0.0,163.136,7.0,2.0,NC1C=CC(=CC=1C#N)[N+]([O-])=O,3.589279221235967,2-Amino-5-nitrobenzonitrile
NC1C=CC(=CC=1C(=O)C1=CC=CC=C1Cl)[N+]([O-])=O,3500.0,4.0,3.0,0.0,276.679,13.0,3.0,NC1C=CC(=CC=1C(=O)C1=CC=CC=C1Cl)[N+]([O-])=O,3.5440680443502757,2-Amino-2'-chloro-5-nitrobenzophenone
NC1C=CC(=CC=1Cl)C1(C2=CC=CC=C2C2=CC=CC=C12)C1=CC(Cl)=C(N)C=C1,6251.0,3.0,1.0,1.0,417.33900000000017,25.0,0.0,NC1C=CC(=CC=1Cl)C1(C2=CC=CC=C2C2=CC=CC=C12)C1=CC(Cl)=C(N)C=C1,3.7959494989028033,"4,4'-(9H-Fluorene-9,9-diyl)bis(2-chloroaniline)"
NC1C=CC(=CC=1Cl)C1=CC(Cl)=C(N)C=C1,5039.0,4.0,2.0,0.0,253.132,12.0,0.0,NC1C=CC(=CC=1Cl)C1=CC(Cl)=C(N)C=C1,3.7023443583557687,"3,3'-Dichlorobenzidine"
NC1C=CC(=CC=1Cl)C1C=C(Cl)C(N)=CC=1,3660.0,4.0,2.0,0.0,253.132,12.0,0.0,NC1C=CC(=CC=1Cl)C1C=C(Cl)C(N)=CC=1,3.5634810853944106,"3,3'-Dichlorobenzidine dihydrochloride"
NC1C=CC(=CC=1Cl)[N+]([O-])=O,7415.0,3.0,2.0,0.0,172.571,6.0,2.0,NC1C=CC(=CC=1Cl)[N+]([O-])=O,3.870111155364401,2-Chloro-4-nitroaniline
NC1C=CC(=CC=1O)[N+]([O-])=O,3688.0,1.0,2.0,0.0,154.125,6.0,3.0,NC1C=CC(=CC=1O)[N+]([O-])=O,3.5667909123815917,2-Amino-5-nitrophenol
NC1C=CC(=CC=1S(O)(=O)=O)N=NC1C=CC(=CC=1)S(O)(=O)=O,10001.0,4.0,2.0,0.0,357.3690000000001,12.0,6.0,NC1C=CC(=CC=1S(O)(=O)=O)N=NC1C=CC(=CC=1)S(O)(=O)=O,4.000043427276863,C.I. Acid Yellow 9
NC1C=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O,285.0,3.0,2.0,0.0,183.123,6.0,4.0,NC1C=CC(=CC=1[N+]([O-])=O)[N+]([O-])=O,2.45484486000851,"2,4-Dinitroaniline"
NC1C=CC(CC2=CC(Cl)=C(N)C=C2)=CC=1Cl,1140.0,4.0,2.0,0.0,267.159,13.0,0.0,NC1C=CC(CC2=CC(Cl)=C(N)C=C2)=CC=1Cl,3.0569048513364727,"4,4'-Methylene-bis(2-chloroaniline) dihydrochloride"
NC1C=CC(CC2C=CC(N)=CC=2)=CC=1,408.0,4.0,2.0,0.0,198.269,13.0,0.0,NC1C=CC(CC2C=CC(N)=CC=2)=CC=1,2.61066016308988,"4,4'-Methylenedianiline dihydrochloride"
NC1C=CC(CCC2C=CC(N)=CC=2)=CC=1,2751.0,4.0,2.0,0.0,212.296,14.0,0.0,NC1C=CC(CCC2C=CC(N)=CC=2)=CC=1,3.4394905903896835,"Benzenamine, 4,4'-(1,2-ethanediyl)bis-"
NC1C=CC(Cl)=CC=1C(=O)C1C=CC=CC=1Cl,3500.0,4.0,2.0,0.0,266.127,13.0,1.0,NC1C=CC(Cl)=CC=1C(=O)C1C=CC=CC=1Cl,3.5440680443502757,"Methanone, (2-amino-5-chlorophenyl)(2-chlorophenyl)-"
NC1C=CC(Cl)=CC=1C(F)(F)F,1940.0,3.0,2.0,0.0,195.57099999999997,7.0,0.0,NC1C=CC(Cl)=CC=1C(F)(F)F,3.287801729930226,4-Chloro-2-(trifluoromethyl)aniline
NC1C=CC(Cl)=CC=1O,2900.0,1.0,2.0,0.0,143.573,6.0,1.0,NC1C=CC(Cl)=CC=1O,3.462397997898956,"Phenol, 2-amino-5-chloro-"
NC1C=CC(Cl)=CC=1[N+]([O-])=O,3638.0,3.0,2.0,0.0,172.571,6.0,2.0,NC1C=CC(Cl)=CC=1[N+]([O-])=O,3.5608626947274646,4-Chloro-2-nitroaniline
NC1C=CC(N)=C2C=1C(=O)C1=C(C2=O)C(N)=CC=C1N,3750.0,4.0,3.0,0.0,268.276,14.0,2.0,NC1C=CC(N)=C2C=1C(=O)C1=C(C2=O)C(N)=CC=C1N,3.574031267727719,C.I. Disperse Blue 1
NC1C=CC(N)=CC=1,128.0,1.0,2.0,0.0,108.144,6.0,0.0,NC1C=CC(N)=CC=1,2.1072099696478683,"1,4-Benzenediamine dihydrochloride"
NC1C=CC(O)=CC=1[N+]([O-])=O,750.0,1.0,2.0,0.0,154.125,6.0,3.0,NC1C=CC(O)=CC=1[N+]([O-])=O,2.8750612633917,4-Amino-3-nitrophenol
NC1C=CC2=CC(=CC(O)=C2C=1N=NC1C=CC=CC=1C(F)(F)F)S(O)(=O)=O,3500.0,4.0,1.0,0.0,411.3610000000001,17.0,4.0,NC1C=CC2=CC(=CC(O)=C2C=1N=NC1C=CC=CC=1C(F)(F)F)S(O)(=O)=O,3.5440680443502757,"2-Naphthalenesulfonic acid, 6-amino-4-hydroxy-5-[2-[2-(trifluoromethyl)phenyl]diazenyl]-, potassium salt (1:1)"
NC1C=CC2C(=CC=CC=2C=1S(O)(=O)=O)S(O)(=O)=O,5430.0,4.0,3.0,0.0,303.31700000000006,10.0,6.0,NC1C=CC2C(=CC=CC=2C=1S(O)(=O)=O)S(O)(=O)=O,3.734799829588847,"2-Aminonaphthalene-1,5-disulfonic acid"
NC1C=CC=C2C(=CC=CC2=1)S(O)(=O)=O,7500.0,4.0,2.0,0.0,223.253,10.0,3.0,NC1C=CC=C2C(=CC=CC2=1)S(O)(=O)=O,3.8750612633917,"1-Naphthalenesulfonic acid, 5-amino-"
NC1C=CC=C2C=1C=CC=C2N,1001.0,3.0,2.0,0.0,158.204,10.0,0.0,NC1C=CC=C2C=1C=CC=C2N,3.000434077479319,"1,5-Naphthalenediamine"
NC1C=CC=CC=1,819.0,1.0,2.0,0.0,93.129,6.0,0.0,NC1C=CC=CC=1,2.9132839017604186,Anilinium nitrate
NC1C=CC=CC=1C(=O)OCC=CC1C=CC=CC=1,7500.0,4.0,3.0,0.0,253.301,16.0,2.0,NC1C=CC=CC=1C(=O)OCC=CC1C=CC=CC=1,3.8750612633917,Cinnamyl anthranilate
NC1C=CC=CC=1C(F)(F)F,1875.0,2.0,2.0,0.0,161.12599999999998,7.0,0.0,NC1C=CC=CC=1C(F)(F)F,3.2730012720637376,o-(Trifluoromethyl)aniline
NC1C=CC=CC=1C(O)=O,5195.0,1.0,2.0,0.0,137.138,7.0,2.0,NC1C=CC=CC=1C(O)=O,3.7155855518931964,"Benzoic acid, 2-amino-, dihydrochloride"
NC1C=CC=CC=1C1C=CC=CC=1,2340.0,4.0,2.0,0.0,169.227,12.0,0.0,NC1C=CC=CC=1C1C=CC=CC=1,3.369215857410143,2-Biphenylamine hydrochloride
NC1C=CC=CC=1Cl,1016.0,1.0,2.0,0.0,127.574,6.0,0.0,NC1C=CC=CC=1Cl,3.0068937079479006,"Benzenamine, 2-chloro-, hydrochloride"
NC1C=CC=CC=1N,1326.0,1.0,2.0,0.0,108.144,6.0,0.0,NC1C=CC=CC=1N,3.1225435240687545,"1,2-Phenylenediamine"
NC1C=CC=CC=1O,1806.0,1.0,2.0,0.0,109.128,6.0,1.0,NC1C=CC=CC=1O,3.256717745977487,2-Aminophenol
NC1C=CN(C2OC(CO)C(O)C2O)C(=O)N=1,5350.0,3.0,2.0,0.0,243.219,9.0,5.0,NC1C=CN(C2OC(CO)C(O)C2O)C(=O)N=1,3.7283537820212285,Cytarabine hydrochloride
NC1C=CN=CC=1,20.0,1.0,2.0,0.0,94.117,5.0,0.0,NC1C=CN=CC=1,1.3010299956639813,4-Aminopyridine
NC1CC(N)CCC1,390.0,2.0,2.0,0.0,114.192,6.0,0.0,NC1CC(N)CCC1,2.591064607026499,CERAPP_30783
NC1CC1,445.0,1.0,2.0,0.0,57.096,3.0,0.0,NC1CC1,2.6483600109809315,Cyclopropanamine
NC1CC2=CC=CC=C2CC1,100.0,3.0,2.0,0.0,147.22099999999995,10.0,0.0,NC1CC2=CC=CC=C2CC1,2.0,
NC1CCC(CC2CCC(N)CC2)CC1,429.0,4.0,2.0,0.0,210.36499999999995,13.0,0.0,NC1CCC(CC2CCC(N)CC2)CC1,2.6324572921847245,"4,4'-Diaminodicyclohexylmethane"
NC1CCC(CN)OC1OC1C(O)C(OC2OC(CO)C(O)C(N)C2O)C(CC1N)NC(=O)C(O)CCN,7500.0,0.0,1.0,3.0,552.6260000000003,22.0,10.0,NC1CCC(CN)OC1OC1C(O)C(OC2OC(CO)C(O)C(N)C2O)C(CC1N)NC(=O)C(O)CCN,3.8750612633917,Arbekacin
NC1CCCC1,309.0,1.0,2.0,0.0,85.15,5.0,0.0,NC1CCCC1,2.4899584794248346,Cyclopentanamine
NC1CCCCC1,892.0,2.0,2.0,0.0,99.177,6.0,0.0,NC1CCCCC1,2.950364854376123,Cyclohexylamine sulfate
NC1CCCCC1N,1814.0,2.0,2.0,0.0,114.192,6.0,0.0,NC1CCCCC1N,3.2586372827240764,"1,2-Cyclohexanediamine, acetate (1:2)"
NC1CCN(CC1)C1C=CC=C(Cl)N=1,190.0,4.0,2.0,0.0,211.6959999999999,10.0,0.0,NC1CCN(CC1)C1C=CC=C(Cl)N=1,2.278753600952829,SR 57227A hydrochloride
NC1CN(CC1)C1=NC2=C(C=C1F)C(=O)C(=CN2C1=CC=C(F)C=C1F)C(O)=O,6000.0,4.0,2.0,0.0,404.34800000000007,19.0,3.0,NC1CN(CC1)C1=NC2=C(C=C1F)C(=O)C(=CN2C1=CC=C(F)C=C1F)C(O)=O,3.7781512503836434,Tosufloxacin
NC1CONC1=O,7500.0,0.0,2.0,0.0,102.093,3.0,2.0,NC1CONC1=O,3.8750612633917,Cycloserine
NC1CS(=O)(=O)CC1,10001.0,0.0,2.0,0.0,135.188,4.0,2.0,NC1CS(=O)(=O)CC1,4.000043427276863,"3-Thiophenamine, tetrahydro-, 1,1-dioxide"
NC1N=C(C(Br)C(=O)N=1)C1C=CC=CC=1,3200.0,4.0,3.0,0.0,266.098,10.0,1.0,NC1N=C(C(Br)C(=O)N=1)C1C=CC=CC=1,3.505149978319906,Bropirimine
NC1N=C(C=C(N)[N+]=1[O-])N1CCCCC1,1321.0,4.0,2.0,0.0,209.253,9.0,1.0,NC1N=C(C=C(N)[N+]=1[O-])N1CCCCC1,3.1209028176145273,Minoxidil
NC1N=C(N)N=C(N)C=1N=O,3500.0,2.0,2.0,0.0,154.13299999999998,4.0,1.0,NC1N=C(N)N=C(N)C=1N=O,3.5440680443502757,"2,4,6-Pyrimidinetriamine, 5-nitroso-"
NC1N=C(N)N=C(N)N=1,3423.5,0.0,2.0,0.0,126.12300000000002,3.0,0.0,NC1N=C(N)N=C(N)N=1,3.5344703322033375,"1,3,5-Triazine-2,4,6-triamine, ethanedioate (1:1)"
NC1N=C(N)N=C2N=C(N)C(=NC=12)C1C=CC=CC=1,400.0,4.0,3.0,0.0,253.26900000000003,12.0,0.0,NC1N=C(N)N=C2N=C(N)C(=NC=12)C1C=CC=CC=1,2.6020599913279625,Triamterene
NC1N=C2N=CNC2=CN=1,723.0,1.0,2.0,0.0,135.13,5.0,0.0,NC1N=C2N=CNC2=CN=1,2.859138297294531,2-Aminopurine
NC1N=CC(=CC=1Cl)C(F)(F)F,249.0,2.0,2.0,0.0,196.559,6.0,0.0,NC1N=CC(=CC=1Cl)C(F)(F)F,2.3961993470957363,3-Chloro-5-(trifluoromethyl)pyridin-2-amine
NC1N=CC=CC=1O,500.0,1.0,2.0,0.0,110.11599999999996,5.0,1.0,NC1N=CC=CC=1O,2.6989700043360187,2-Amino-3-hydroxypyridine
NC1N=CN=C2C=1N=CN2C1OC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1O,2751.0,2.0,1.0,3.0,507.1820000000001,10.0,13.0,NC1N=CN=C2C=1N=CN2C1OC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1O,3.4394905903896835,Adenosine triphosphate disodium
NC1N=CN=C2C=1N=CN2C1OC(COP(O)(O)=O)C(O)C1O,10001.0,3.0,2.0,0.0,347.224,10.0,7.0,NC1N=CN=C2C=1N=CN2C1OC(COP(O)(O)=O)C(O)C1O,4.000043427276863,Adenosine phosphate disodium
NC1N=CN=C2NN=CC2=1,141.0,1.0,2.0,0.0,135.13,5.0,0.0,NC1N=CN=C2NN=CC2=1,2.1492191126553797,"1H-Pyrazolo[3,4-d]pyrimidin-4-amine"
NC1N=CNN=1,5901.0,0.0,2.0,0.0,84.082,2.0,0.0,NC1N=CNN=1,3.7709256146389993,Amitrole
NC1NC(=O)C2N=CN(C3OC(COP(O)(O)=O)C(O)C3O)C=2N=1,10001.0,3.0,1.0,0.0,363.223,10.0,8.0,NC1NC(=O)C2N=CN(C3OC(COP(O)(O)=O)C(O)C3O)C=2N=1,4.000043427276863,5'-Guanylic acid
NC1NC(=O)C2N=CN(COCCO)C=2N=1,10001.0,3.0,2.0,0.0,225.20799999999997,8.0,3.0,NC1NC(=O)C2N=CN(COCCO)C=2N=1,4.000043427276863,Acyclovir
NC1NC(=O)CC(=O)N=1,10001.0,0.0,2.0,0.0,127.10299999999998,4.0,2.0,NC1NC(=O)CC(=O)N=1,4.000043427276863,2-Amino-6-hydroxy-1H-pyrimidin-4-one
NC1NC2=NCC(CNC3C=CC(=CC=3)C(=O)NC(CCC(O)=O)C(O)=O)N(C=O)C2C(=O)N=1,8000.0,3.0,1.0,0.0,473.4460000000002,20.0,7.0,NC1NC2=NCC(CNC3C=CC(=CC=3)C(=O)NC(CCC(O)=O)C(O)=O)N(C=O)C2C(=O)N=1,3.9030899869919438,Calcium (6S)-folinate
NC1NN=NN=1,3500.0,0.0,2.0,0.0,85.07,1.0,0.0,NC1NN=NN=1,3.5440680443502757,Tetrazol-5-ylamine
NC=O,5555.0,0.0,2.0,0.0,45.041,1.0,1.0,NC=O,3.7446840632768863,Formamide
NCC(CC(O)=O)C1C=CC(Cl)=CC=1,145.0,4.0,2.0,0.0,213.664,10.0,2.0,NCC(CC(O)=O)C1C=CC(Cl)=CC=1,2.161368002234975,Baclofen
NCC(CCCCN)CCCN,760.0,4.0,1.0,0.0,173.30399999999997,9.0,0.0,NCC(CCCCN)CCCN,2.8808135922807914,"1,8-Octanediamine, 4-(aminomethyl)-"
NCC(O)=O,5635.0,0.0,2.0,0.0,75.067,2.0,2.0,NCC(O)=O,3.750893920382125,"Glycine, sodium salt (1:1)"
NCC(O)C1=CC=C(O)C=C1,1165.0,3.0,2.0,0.0,153.18099999999998,8.0,2.0,NCC(O)C1=CC=C(O)C=C1,3.0663259253620376,Octopamine
NCC(O)C1C=C(O)C=CC=1,390.0,3.0,2.0,0.0,153.18099999999998,8.0,2.0,NCC(O)C1C=C(O)C=CC=1,2.591064607026499,Norfenefrine
NCC(O)CO,5313.0,0.0,2.0,0.0,91.11,3.0,2.0,NCC(O)CO,3.725339815909737,CERAPP_28261
NCC1(CC(O)=O)CCCCC1,2751.0,4.0,2.0,0.0,171.23999999999992,9.0,2.0,NCC1(CC(O)=O)CCCCC1,3.4394905903896835,Gabapentin hydrochloride
NCC1=CC(O)=NO1,45.0,1.0,2.0,0.0,114.10399999999998,4.0,2.0,NCC1=CC(O)=NO1,1.6532125137753437,Muscimol
NCC1=CC=C(C=C1)S(N)(=O)=O,9212.0,4.0,2.0,0.0,186.236,7.0,2.0,NCC1=CC=C(C=C1)S(N)(=O)=O,3.9643539292921934,Mafenide
NCC1C=C(CN)C=CC=1,1014.75,3.0,2.0,0.0,136.198,8.0,0.0,NCC1C=C(CN)C=CC=1,3.006359059989323,"1,3-Benzenedimethanamine"
NCC1C=CC(CN)=CC=1,1250.0,3.0,2.0,0.0,136.198,8.0,0.0,NCC1C=CC(CN)=CC=1,3.0969100130080562,"1,4-Benzenedimethanamine"
NCC1C=CC=CC=1,1127.0,1.0,2.0,0.0,107.15599999999996,7.0,0.0,NCC1C=CC=CC=1,3.0519239160461065,"BENZYLAMINE, HYDROCHLORIDE"
NCC1CC(CCC1)CN,1124.75,3.0,2.0,0.0,142.24599999999998,8.0,0.0,NCC1CC(CCC1)CN,3.0510560018376043,"1,3-Cyclohexanedimethanamine"
NCC1CCC(CC1)C(=O)OC1=CC=C(CCC(O)=O)C=C1,1503.0,4.0,3.0,0.0,305.374,17.0,4.0,NCC1CCC(CC1)C(=O)OC1=CC=C(CCC(O)=O)C=C1,3.176958980586908,Cetraxate hydrochloride
NCC1CCC(CC1)C(O)=O,10001.0,3.0,2.0,0.0,157.21299999999997,8.0,2.0,NCC1CCC(CC1)C(O)=O,4.000043427276863,
NCC1CCC(CC1)CN,530.0,3.0,2.0,0.0,142.24599999999998,8.0,0.0,NCC1CCC(CC1)CN,2.724275869600789,"1,4-Cyclohexanedimethanamine"
NCC1CCC(N)C(O1)OC1C(O)C(OC2OC(CO)C(O)C(N)C2O)C(N)CC1N,6950.0,3.0,1.0,2.0,451.5210000000002,18.0,8.0,NCC1CCC(N)C(O1)OC1C(O)C(OC2OC(CO)C(O)C(N)C2O)C(N)CC1N,3.8419848045901137,Dibekacin
NCC1OC(OC2C(CO)OC(OC3C(OC4OC(CO)C(O)C(O)C4N)C(N)CC(N)C3O)C2O)C(N)C(O)C1O,10001.0,0.0,1.0,3.0,615.6340000000004,23.0,14.0,NCC1OC(OC2C(CO)OC(OC3C(OC4OC(CO)C(O)C(O)C4N)C(N)CC(N)C3O)C2O)C(N)C(O)C1O,4.000043427276863,Paromomycin sulfate
NCC1OC(OC2C(O)C(OC3OC(CO)C(O)C(N)C3O)C(N)CC2N)C(N)C(O)C1O,10000.0,2.0,1.0,2.0,483.5190000000001,18.0,10.0,NCC1OC(OC2C(O)C(OC3OC(CO)C(O)C(N)C3O)C(N)CC2N)C(N)C(O)C1O,4.0,Bekanamycin sulfate
NCC1OC(OC2C(O)C(OC3OC(CO)C(O)C(N)C3O)C(N)CC2N)C(N)CC1O,7500.0,3.0,1.0,2.0,467.52000000000015,18.0,9.0,NCC1OC(OC2C(O)C(OC3OC(CO)C(O)C(N)C3O)C(N)CC2N)C(N)CC1O,3.8750612633917,Tobramycin
NCC1OC(OC2C(O)C(OC3OC(CO)C(O)C(N)C3O)C(N)CC2N)C(O)C(O)C1O,7000.0,2.0,1.0,2.0,484.5030000000001,18.0,11.0,NCC1OC(OC2C(O)C(OC3OC(CO)C(O)C(N)C3O)C(N)CC2N)C(O)C(O)C1O,3.845098040014257,Kanamycin A sulfate
NCC1OC(OC2C(OC3OC(CO)C(O)C3O)C(O)C(N)CC2N)C(N)C(O)C1O,8500.0,3.0,1.0,2.0,454.4770000000001,17.0,10.0,NCC1OC(OC2C(OC3OC(CO)C(O)C3O)C(O)C(N)CC2N)C(N)C(O)C1O,3.929418925714293,Ribostamycin sulfate
NCCBr,1050.0,1.0,2.0,0.0,123.981,2.0,0.0,NCCBr,3.0211892990699383,"Ethanamine, 2-bromo-, hydrobromide (1:1)"
NCCC(O)=O,6251.0,0.0,2.0,0.0,89.09399999999998,3.0,2.0,NCCC(O)=O,3.7959494989028033,".beta.-Alanine, sodium salt (1:1)"
NCCC1=CC=C(C=C1)S(N)(=O)=O,3500.0,4.0,2.0,0.0,200.263,8.0,2.0,NCCC1=CC=C(C=C1)S(N)(=O)=O,3.5440680443502757,4-(2-Aminoethyl)benzenesulfonamide
NCCC1=CNC2=CC=CC=C21,619.0,4.0,2.0,0.0,160.21999999999997,10.0,0.0,NCCC1=CNC2=CC=CC=C21,2.791690649020118,"1H-Indole-3-ethanamine, monohydrochloride"
NCCC1C=C(O)C(O)=CC=1,2859.0,3.0,2.0,0.0,153.18099999999998,8.0,2.0,NCCC1C=C(O)C(O)=CC=1,3.456214155357989,Dopamine hydrochloride
NCCC1C=CC=CC=1,287.0,2.0,2.0,0.0,121.18299999999996,8.0,0.0,NCCC1C=CC=CC=1,2.4578818967339924,Phenethylamine
NCCCC(N)(C(F)F)C(O)=O,7500.0,3.0,2.0,0.0,182.17,6.0,2.0,NCCCC(N)(C(F)F)C(O)=O,3.8750612633917,Eflornithine hydrochloride
NCCCC(N)C(O)=O,10000.0,1.0,2.0,0.0,132.163,5.0,2.0,NCCCC(N)C(O)=O,4.0,"L-Ornithine, hydrochloride (1:2)"
NCCCCC(N)C(O)=O,10000.5,1.0,2.0,0.0,146.19,6.0,2.0,NCCCCC(N)C(O)=O,4.000021714181245,Lysine monohydrate
NCCCCC(NC(CCC1C=CC=CC=1)C(O)=O)C(=O)N1CCCC1C(O)=O,8500.0,4.0,1.0,0.0,405.49500000000023,21.0,5.0,NCCCCC(NC(CCC1C=CC=CC=1)C(O)=O)C(=O)N1CCCC1C(O)=O,3.929418925714293,Lisinopril
NCCCCCC#N,820.0,2.0,2.0,0.0,112.17600000000002,6.0,0.0,NCCCCCC#N,2.9138138523837167,"Hexanenitrile, 6-amino-"
NCCCCCCC(O)=O,9000.0,2.0,2.0,0.0,145.202,7.0,2.0,NCCCCCCC(O)=O,3.9542425094393248,omega-Aminoenantic acid
NCCCCCCCCCCC(O)=O,10001.0,4.0,1.0,0.0,201.30999999999997,11.0,2.0,NCCCCCCCCCCC(O)=O,4.000043427276863,11-Aminoundecanoic acid
NCCCCCCCCCCCC(O)=O,2751.0,4.0,1.0,0.0,215.33699999999996,12.0,2.0,NCCCCCCCCCCCC(O)=O,3.4394905903896835,"Dodecanoic acid, 12-amino-"
NCCCCCCCCN,650.0,3.0,1.0,0.0,144.262,8.0,0.0,NCCCCCCCCN,2.8129133566428557,"1,8-Octanediamine"
NCCCCCCN,923.0,2.0,2.0,0.0,116.208,6.0,0.0,NCCCCCCN,2.965201701025912,"Acetic acid--hexane-1,6-diamine (2/1)"
NCCCCCCNC(O)=O,2875.0,4.0,2.0,0.0,160.217,7.0,2.0,NCCCCCCNC(O)=O,3.4586378490256493,"Carbamic acid, (6-aminohexyl)-"
NCCCCCCNCCCCCCN,810.0,4.0,1.0,0.0,215.38499999999993,12.0,0.0,NCCCCCCNCCCCCCN,2.90848501887865,"N-(6-Aminohexyl)hexane-1,6-diamine"
NCCCCCNCCSP(O)(O)=O,2037.0,4.0,1.0,0.0,242.281,7.0,3.0,NCCCCCNCCSP(O)(O)=O,3.3089910290001643,
NCCCCN,601.0,1.0,2.0,0.0,88.15400000000001,4.0,0.0,NCCCCN,2.7788744720027396,"1,4-Diaminobutane dihydrochloride"
NCCCN,548.0,0.0,2.0,0.0,74.127,3.0,0.0,NCCCN,2.738780558484369,"1,3-Diaminopropane"
NCCCN(CCO)CCO,3500.0,3.0,1.0,0.0,162.23299999999998,7.0,2.0,NCCCN(CCO)CCO,3.5440680443502757,"2,2'-[(3-Aminopropyl)imino]diethanol"
NCCCN1C=NC=C1,1780.0,2.0,2.0,0.0,125.17499999999995,6.0,0.0,NCCCN1C=NC=C1,3.250420002308894,1H-Imidazole-1-propanamine
NCCCN1CCN(CC1)CCCN,1990.0,3.0,1.0,0.0,200.32999999999993,10.0,0.0,NCCCN1CCN(CC1)CCCN,3.298853076409707,"1,4-bis(3-Aminopropyl)piperazine"
NCCCN1CCOCC1,2950.0,3.0,2.0,0.0,144.21799999999996,7.0,1.0,NCCCN1CCOCC1,3.469822015978163,4-Morpholinepropanamine
NCCCNCCCN,700.0,2.0,1.0,0.0,131.22299999999998,6.0,0.0,NCCCNCCCN,2.845098040014257,Iminobis-3-propylamine
NCCCNCCNCCCN,1170.0,3.0,1.0,0.0,174.29199999999994,8.0,0.0,NCCCNCCNCCCN,3.0681858617461617,"1,3-Propanediamine, N,N''-1,2-ethanediylbis-"
NCCCNCCSP(O)(O)=O,826.0,4.0,1.0,0.0,214.227,5.0,3.0,NCCCNCCSP(O)(O)=O,2.9169800473203824,Amifostine
NCCCO,1348.0,0.0,2.0,0.0,75.11099999999999,3.0,1.0,NCCCO,3.129689892199301,3-Aminopropanol
NCCCOCCCCOCCCN,3450.0,4.0,1.0,0.0,204.3139999999999,10.0,2.0,NCCCOCCCCOCCCN,3.537819095073274,"1-Propanamine, 3,3'-[1,4-butanediylbis(oxy)]bis-"
NCCCOCCOCCCN,1569.0,4.0,1.0,0.0,176.25999999999996,8.0,2.0,NCCCOCCOCCCN,3.1956229435869368,"Hexanedioic acid, compd. with 3,3'-[1,2-ethanediylbis(oxy)]bis[1-propanamine] (1:1)"
NCCCOCCOCCO,6500.0,3.0,1.0,0.0,163.21699999999998,7.0,3.0,NCCCOCCOCCO,3.8129133566428557,"Ethanol, 2-[2-(3-aminopropoxy)ethoxy]-, hydrochloride"
NCCCOCCOCCOCCCN,3160.0,4.0,1.0,0.0,220.31299999999993,10.0,3.0,NCCCOCCOCCOCCCN,3.499687082618404,"3,3'-[Oxybis(ethane-2,1-diyloxy)]dipropan-1-amine"
NCCC[Si]12OCCN(CCO1)CCO2,5800.0,4.0,2.0,0.0,232.3559999999999,9.0,3.0,NCCC[Si]12OCCN(CCO1)CCO2,3.7634279935629373,"2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane, 1-(3-aminopropyl)-"
NCCN,876.0,0.0,2.0,0.0,60.09999999999999,2.0,0.0,NCCN,2.9425041061680806,"1,2-Ethanediamine, hydrochloride (1:1)"
NCCN(CCN)CCN,246.0,2.0,1.0,0.0,146.238,6.0,0.0,NCCN(CCN)CCN,2.3909351071033793,"1,2-Ethanediamine, N,N-bis(2-aminoethyl)-"
NCCN1CCNCC1,2140.0,1.0,2.0,0.0,129.207,6.0,0.0,NCCN1CCNCC1,3.330413773349191,"1-Piperazineethanamine, monoacetate"
NCCN1CCOCC1,3000.0,1.0,2.0,0.0,130.19099999999997,6.0,1.0,NCCN1CCOCC1,3.4771212547196626,2-Morpholinoethylamine
NCCNCC1=CC=CC=C1O,3700.0,4.0,2.0,0.0,166.224,9.0,1.0,NCCNCC1=CC=CC=C1O,3.568201724066995,Agidol AF-2
NCCNCCCN,654.0,1.0,2.0,0.0,117.196,5.0,0.0,NCCNCCCN,2.815577748324267,"1,3-Propanediamine, N-(2-aminoethyl)-"
NCCNCCN,1422.0,1.0,2.0,0.0,103.169,4.0,0.0,NCCNCCN,3.1528995963937474,"1,2-Ethanediamine, N1-(2-aminoethyl)-, hydrochloride (1:3)"
NCCNCCNCC1=CC=CC=C1O,2300.0,4.0,1.0,0.0,209.29300000000003,11.0,1.0,NCCNCCNCC1=CC=CC=C1O,3.361727836017593,"N,N-bis(2-aminoethyl(aminomethyl))phenol"
NCCNCCNCCN,2356.6666666666665,2.0,1.0,0.0,146.238,6.0,0.0,NCCNCCNCCN,3.372298159077237,Trientine hydrochloride
NCCNCCNCCNCCN,3045.0,3.0,1.0,0.0,189.307,8.0,0.0,NCCNCCNCCNCCN,3.4835872969688944,Tetraethylenepentamine
NCCNCCNCCNCCNCCN,1653.0,3.0,1.0,0.0,232.376,10.0,0.0,NCCNCCNCCNCCNCCN,3.2182728535714475,Pentaethylenehexamine
NCCNCCNCCO,4630.0,2.0,1.0,0.0,147.222,6.0,1.0,NCCNCCNCCO,3.6655809910179533,CERAPP_29811
NCCNCCO,2575.0,0.0,2.0,0.0,104.153,4.0,1.0,NCCNCCO,3.41077723337721,N-(Hydroxyethyl)ethylenediamine
NCCNS(=O)(=O)C1=CC=CC2C=NC=CC=21,1000.0,4.0,3.0,0.0,251.311,11.0,2.0,NCCNS(=O)(=O)C1=CC=CC2C=NC=CC=21,3.0,"5-Isoquinolinesulfonamide, N-(2-aminoethyl)-, monohydrochloride"
NCCO,1935.0,0.0,2.0,0.0,61.084,2.0,1.0,NCCO,3.28668096935493,2-Hydroxyethylammonium hydrogen sulphite
NCCOC(=O)C=CC(=O)OCCN,4920.0,3.0,1.0,0.0,202.20999999999992,8.0,4.0,NCCOC(=O)C=CC(=O)OCCN,3.69196510276736,
NCCOCCN,961.0,0.0,2.0,0.0,104.153,4.0,1.0,NCCOCCN,2.9827233876685453,"Ethanamine, 2,2'-oxybis-, acetate (1:2)"
NCCOCCO,3400.0,0.0,2.0,0.0,105.137,4.0,2.0,NCCOCCO,3.531478917042255,2-(2-Aminoethoxy)ethanol
NCCOCCOCCN,1569.0,1.0,1.0,0.0,148.206,6.0,2.0,NCCOCCOCCN,3.1956229435869368,"2,2'-[Ethane-1,2-diylbis(oxy)]diethanamine"
NCCOCNC1C=CC=CC=1,0.62,4.0,2.0,0.0,166.224,9.0,1.0,NCCOCNC1C=CC=CC=1,-0.20760831050174613,
NCCS,500.0,1.0,2.0,0.0,77.15199999999999,2.0,0.0,NCCS,2.6989700043360187,Cysteamine
NCCS(O)(=O)=O,6188.0,0.0,2.0,0.0,125.14899999999996,2.0,3.0,NCCS(O)(=O)=O,3.79155030502733,l-Taurine
NCCSSCCN,896.0,3.0,2.0,0.0,152.28799999999998,4.0,0.0,NCCSSCCN,2.9523080096621253,Cystamine
NN1C(=O)CSC1=S,2.21,1.0,2.0,0.0,148.21200000000002,3.0,1.0,NN1C(=O)CSC1=S,0.3443922736851107,"4-Thiazolidinone, 3-amino-2-thioxo-"
NN1C=NN=C1,10001.0,0.0,2.0,0.0,84.082,2.0,0.0,NN1C=NN=C1,4.000043427276863,"4-Amino-1,2,4-triazole"
NNC(=O)C1=CC(=CC=C1)C(=O)NN,3500.0,3.0,2.0,0.0,194.194,8.0,2.0,NNC(=O)C1=CC(=CC=C1)C(=O)NN,3.5440680443502757,"1,3-Benzenedicarboxylic acid, dihydrazide"
NNC(=O)C1C=CN=CC=1,1296.25,1.0,2.0,0.0,137.142,6.0,1.0,NNC(=O)C1C=CN=CC=1,3.1126887693970975,Isoniazid
NNC(=O)CCCCC(=O)NN,2751.0,3.0,2.0,0.0,174.204,6.0,2.0,NNC(=O)CCCCC(=O)NN,3.4394905903896835,Hexanedihydrazide
NNC(=O)CCCCCCCCC(=O)NN,2500.0,4.0,1.0,0.0,230.31199999999995,10.0,2.0,NNC(=O)CCCCCCCCC(=O)NN,3.3979400086720375,"Decanedioic acid, 1,10-dihydrazide"
NNC(=O)CSC1C=C(N=CN=1)OC1C=CC(F)=CC=1,400.0,4.0,3.0,0.0,294.311,12.0,2.0,NNC(=O)CSC1C=C(N=CN=1)OC1C=CC(F)=CC=1,2.6020599913279625,"Acetic acid, ((6-(4-fluorophenoxy)-4-pyrimidinyl)thio)-, hydrazide"
NNC(=O)CSC1C=C(N=CN=1)OC1C=CC=CC=1,220.0,4.0,3.0,0.0,276.321,12.0,2.0,NNC(=O)CSC1C=C(N=CN=1)OC1C=CC=CC=1,2.342422680822206,"Acetic acid, ((6-phenoxy-4-pyrimidinyl)thio)-, hydrazide"
NNC(=O)NN,6251.0,0.0,2.0,0.0,90.086,1.0,1.0,NNC(=O)NN,3.7959494989028033,Carbonic dihydrazide
NNC(=O)OC1CC2CCC(C1)N2C(=O)OC1C=CC=CC=1,7500.0,4.0,3.0,0.0,305.33399999999995,15.0,4.0,NNC(=O)OC1CC2CCC(C1)N2C(=O)OC1C=CC=CC=1,3.8750612633917,
NNC(=S)NN,21.6,0.0,2.0,0.0,106.154,1.0,0.0,NNC(=S)NN,1.334453751150931,Thiocarbazide
NNC(N)=N,7500.0,0.0,2.0,0.0,74.087,1.0,0.0,NNC(N)=N,3.8750612633917,Aminoguanidine
NNC(N)=S,11.08,0.0,2.0,0.0,91.139,1.0,0.0,NNC(N)=S,1.044539760392411,Thiosemicarbazide
NNC1=NN=CC2=CC=CC=C21,138.5,4.0,2.0,0.0,160.17999999999998,8.0,0.0,NNC1=NN=CC2=CC=CC=C21,2.1414497734004674,Hydralazine
NNC1C=CC(=CC=1)C(O)=O,2550.0,2.0,2.0,0.0,152.153,7.0,2.0,NNC1C=CC(=CC=1)C(O)=O,3.406540180433955,4-Hydrazinobenzoic acid hydrochloride
NNC1C=CC(=NN=1)N(CCO)CCO,1800.0,3.0,1.0,0.0,213.241,8.0,2.0,NNC1C=CC(=NN=1)N(CCO)CCO,3.255272505103306,Oxdralazine dihydrochloride
NNC1C=CC(Cl)=CC=1,112.0,1.0,2.0,0.0,142.58900000000003,6.0,0.0,NNC1C=CC(Cl)=CC=1,2.0492180226701815,4-Chlorophenylhydrazine
NNC1C=CC=CC=1,188.0,1.0,2.0,0.0,108.14399999999998,6.0,0.0,NNC1C=CC=CC=1,2.27415784926368,Phenylhydrazine
NNCCC1C=CC=CC=1,210.0,3.0,2.0,0.0,136.19799999999998,8.0,0.0,NNCCC1C=CC=CC=1,2.322219294733919,Phenelzine
NNS(=O)(=O)C1C=CC(=CC=1)OC1C=CC(=CC=1)S(=O)(=O)NN,2650.0,4.0,1.0,0.0,358.40100000000007,12.0,5.0,NNS(=O)(=O)C1C=CC(=CC=1)OC1C=CC(=CC=1)S(=O)(=O)NN,3.423245873936808,"4,4'-Oxybis(benzenesulfonhydrazide)"
NP(=S)(N1CC1)N1CC1,66.0,3.0,2.0,0.0,163.18599999999998,4.0,0.0,NP(=S)(N1CC1)N1CC1,1.8195439355418688,Dimatiph
NP(N)(=O)NC1=CC=CC=C1[N+]([O-])=O,2751.0,4.0,2.0,0.0,216.137,6.0,3.0,NP(N)(=O)NC1=CC=CC=C1[N+]([O-])=O,3.4394905903896835,(2-Nitrophenyl)-phosphoric triamide
NP(N)(=O)OC1C=CC=CC=1,400.0,4.0,2.0,0.0,172.124,6.0,2.0,NP(N)(=O)OC1C=CC=CC=1,2.6020599913279625,"Phosphorodiamidic acid, phenyl ester"
NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,172.0,3.0,0.0,0.0,499.14199999999994,8.0,2.0,NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,2.2355284469075487,PFOSA
NS(=O)(=O)C1=CC(=CC=C1Cl)S(N)(=O)=O,340.0,4.0,3.0,0.0,270.719,6.0,4.0,NS(=O)(=O)C1=CC(=CC=C1Cl)S(N)(=O)=O,2.531478917042255,Clofenamide
NS(=O)(=O)C1=CC(C2NN=NN=2)=C(C=C1Cl)NCC1=CC=CS1,2545.0,4.0,2.0,0.0,370.8470000000001,12.0,2.0,NS(=O)(=O)C1=CC(C2NN=NN=2)=C(C=C1Cl)NCC1=CC=CS1,3.4056877866727775,Azosemide
NS(=O)(=O)C1=CC(Cl)=C(Cl)C(=C1)S(N)(=O)=O,10001.0,4.0,3.0,0.0,305.16400000000004,6.0,4.0,NS(=O)(=O)C1=CC(Cl)=C(Cl)C(=C1)S(N)(=O)=O,4.000043427276863,Dichlorphenamide
NS(=O)(=O)C1=CC2=C(C=C1Cl)N=CNS2(=O)=O,10000.0,4.0,3.0,0.0,295.72900000000004,7.0,4.0,NS(=O)(=O)C1=CC2=C(C=C1Cl)N=CNS2(=O)=O,4.0,Chlorothiazide
NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(CC1=CC=CC=C1)NS2(=O)=O,10000.0,4.0,2.0,0.0,387.87000000000006,14.0,4.0,NS(=O)(=O)C1=CC2=C(C=C1Cl)NC(CC1=CC=CC=C1)NS2(=O)=O,4.0,Benzylhydrochlorothiazide
NS(=O)(=O)C1=CC2=C(C=C1Cl)NCNS2(=O)=O,2750.0,4.0,3.0,0.0,297.74500000000006,7.0,4.0,NS(=O)(=O)C1=CC2=C(C=C1Cl)NCNS2(=O)=O,3.439332693830263,Hydrochlorothiazide
NS(=O)(=O)C1=CC2=C(CN(C3CCCCC3)C2=O)C=C1Cl,6000.0,4.0,3.0,0.0,328.8210000000002,14.0,3.0,NS(=O)(=O)C1=CC2=C(CN(C3CCCCC3)C2=O)C=C1Cl,3.7781512503836434,Chlorexolone
NS(=O)(=O)C1=CC=CC=C1C(F)(F)F,1150.0,4.0,2.0,0.0,225.19099999999997,7.0,2.0,NS(=O)(=O)C1=CC=CC=C1C(F)(F)F,3.060697840353612,2-(Trifluoromethyl)benzenesulfonamide
NS(=O)(=O)C1C=C(C(O)=O)C(=CC=1Cl)NCC1=CC=CO1,2650.0,4.0,3.0,0.0,330.749,12.0,5.0,NS(=O)(=O)C1C=C(C(O)=O)C(=CC=1Cl)NCC1=CC=CO1,3.423245873936808,Furosemide
NS(=O)(=O)C1C=C(C=C(C=1OC1C=CC=CC=1)N1CCCC1)C(O)=O,5601.0,4.0,2.0,0.0,362.407,17.0,5.0,NS(=O)(=O)C1C=C(C=C(C=1OC1C=CC=CC=1)N1CCCC1)C(O)=O,3.748265572668741,Piretanide
NS(=O)(=O)C1C=C(C=CC=1Cl)C(=O)NN1CC2C3CC(CC3)C2C1,8000.0,4.0,2.0,0.0,369.87400000000014,16.0,3.0,NS(=O)(=O)C1C=C(C=CC=1Cl)C(=O)NN1CC2C3CC(CC3)C2C1,3.9030899869919438,Tripamide
NS(=O)(=O)C1C=C(C=CC=1Cl)C1(O)NC(=O)C2=CC=CC=C12,7500.0,4.0,3.0,0.0,338.77200000000005,14.0,4.0,NS(=O)(=O)C1C=C(C=CC=1Cl)C1(O)NC(=O)C2=CC=CC=C12,3.8750612633917,Chlorthalidone
NS(=O)(=O)C1C=C2C(=CC=1Cl)N=C(CSCC1C=CC=CC=1)NS2(=O)=O,10000.0,4.0,2.0,0.0,431.9480000000001,15.0,4.0,NS(=O)(=O)C1C=C2C(=CC=1Cl)N=C(CSCC1C=CC=CC=1)NS2(=O)=O,4.0,Benzthiazide
NS(=O)(=O)C1C=C2C(=CC=1Cl)NC(CC1CCCC1)NS2(=O)=O,1000.0,4.0,2.0,0.0,379.8910000000002,13.0,4.0,NS(=O)(=O)C1C=C2C(=CC=1Cl)NC(CC1CCCC1)NS2(=O)=O,3.0,Cyclopenthiazide
NS(=O)(=O)C1C=C2C(=CC=1Cl)NC(NS2(=O)=O)C(Cl)Cl,5600.0,4.0,2.0,0.0,380.662,8.0,4.0,NS(=O)(=O)C1C=C2C(=CC=1Cl)NC(NS2(=O)=O)C(Cl)Cl,3.7481880270062002,Trichlormethiazide
NS(=O)(=O)C1C=C2C(=CC=1Cl)NC(NS2(=O)=O)C1CC2CC1C=C2,7500.0,4.0,2.0,0.0,389.8860000000001,14.0,4.0,NS(=O)(=O)C1C=C2C(=CC=1Cl)NC(NS2(=O)=O)C1CC2CC1C=C2,3.8750612633917,Cyclothiazide
NS(=O)(=O)C1C=CC(=CC=1)N1CCCCS1(=O)=O,7500.0,4.0,3.0,0.0,290.36599999999993,10.0,4.0,NS(=O)(=O)C1C=CC(=CC=1)N1CCCCS1(=O)=O,3.8750612633917,Sulthiame
NS(=O)(=O)C1C=CC=CC=1,991.0,1.0,2.0,0.0,157.194,6.0,2.0,NS(=O)(=O)C1C=CC=CC=1,2.9960736544852753,Benzenesulfonamide
NS(=O)(=O)CC1=NOC2C=CC=CC=21,1996.0,4.0,2.0,0.0,212.23,8.0,3.0,NS(=O)(=O)CC1=NOC2C=CC=CC=21,3.3001605369513523,Zonisamide
O/C(/CO)=NC1C=CC=CC=1,1700.0,3.0,2.0,0.0,151.165,8.0,2.0,O/C(/CO)=NC1C=CC=CC=1,3.230448921378274,
O/C(=NC1=CC=CC(Cl)=C1Cl)/C1=C(C(Cl)=C(Cl)C(Cl)=C1Cl)C(O)=O,2340.0,3.0,1.0,1.0,447.91600000000017,14.0,3.0,O/C(=NC1=CC=CC(Cl)=C1Cl)/C1=C(C(Cl)=C(Cl)C(Cl)=C1Cl)C(O)=O,3.369215857410143,Tecloftalam
O=C(C(C1C=CC=CC=1)C1C=CC(Cl)=CC=1)C1C(=O)C2C=CC=CC=2C1=O,9.0,4.0,1.0,0.0,374.8230000000001,23.0,3.0,O=C(C(C1C=CC=CC=1)C1C=CC(Cl)=CC=1)C1C(=O)C2C=CC=CC=2C1=O,0.9542425094393249,Chlorophacinone
O=C(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,1098.0,3.0,3.0,0.0,264.75,3.0,1.0,O=C(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,3.040602340114073,Hexachloroacetone
O=C(C(Cl)Cl)C(Cl)(Cl)Cl,200.0,3.0,2.0,0.0,230.305,3.0,1.0,O=C(C(Cl)Cl)C(Cl)(Cl)Cl,2.3010299956639813,"1,1,1,3,3-Pentachloropropanone"
O=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F,3500.0,2.0,2.0,0.0,316.04099999999994,6.0,1.0,O=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F,3.5440680443502757,"3-Pentanone, 1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)-"
O=C(C(F)(F)Cl)C(F)(F)Cl,61.0,2.0,2.0,0.0,198.93,3.0,1.0,O=C(C(F)(F)Cl)C(F)(F)Cl,1.7853298350107671,"2-Propanone, 1,3-dichloro-1,1,3,3-tetrafluoro-"
O=C(C(F)(F)F)C(F)(F)F,191.0,2.0,2.0,0.0,166.01999999999998,3.0,1.0,O=C(C(F)(F)F)C(F)(F)F,2.2810333672477277,Hexafluoroacetone
O=C(C1=CC(Cl)=CC=C1NC(=O)CBr)C1C=CC=CC=1F,3500.0,4.0,1.0,0.0,370.60500000000013,15.0,2.0,O=C(C1=CC(Cl)=CC=C1NC(=O)CBr)C1C=CC=CC=1F,3.5440680443502757,2-Bromo-4'-chloro-2'-(2-fluorobenzoyl)acetanilide
O=C(C1=CC2=C(C=C1)C(=O)OC2=O)C1=CC2=C(C=C1)C(=O)OC2=O,10001.0,4.0,3.0,0.0,322.22800000000007,17.0,7.0,O=C(C1=CC2=C(C=C1)C(=O)OC2=O)C1=CC2=C(C=C1)C(=O)OC2=O,4.000043427276863,Benzophenonetetracarboxylic dianhydride
O=C(C1=CC=CC=C1C1NC=CN=1)C1=CC(Cl)=C(Cl)C=C1,400.0,4.0,2.0,0.0,317.175,16.0,1.0,O=C(C1=CC=CC=C1C1NC=CN=1)C1=CC(Cl)=C(Cl)C=C1,2.6020599913279625,"Methanone, (3,4-dichlorophenyl)(2-(1H-imidazol-2-yl)phenyl)-, monohydrochloride"
O=C(C1=CC=CC=C1C1NC=CN=1)C1C=CC(Cl)=CC=1,600.0,4.0,2.0,0.0,282.73,16.0,1.0,O=C(C1=CC=CC=C1C1NC=CN=1)C1C=CC(Cl)=CC=1,2.7781512503836434,"Benzophenone, 4'-chloro-2-(2-imidazol-2-yl)-"
O=C(C1C(=O)C2C=CC=CC=2C1=O)C(C1C=CC=CC=1)C1C=CC=CC=1,1.4,4.0,2.0,0.0,340.37800000000004,23.0,3.0,O=C(C1C(=O)C2C=CC=CC=2C1=O)C(C1C=CC=CC=1)C1C=CC=CC=1,0.146128035678238,Diphacinone
O=C(C1C=C(C=CC=1)C(=O)N1CCCCCC1=O)N1CCCCCC1=O,2751.0,4.0,2.0,0.0,356.42200000000025,20.0,4.0,O=C(C1C=C(C=CC=1)C(=O)N1CCCCCC1=O)N1CCCCCC1=O,3.4394905903896835,CERAPP_32976
O=C(C1C=C(I)C=CC=1Cl)C1C=CC(F)=CC=1,2751.0,4.0,1.0,0.0,360.553,13.0,1.0,O=C(C1C=C(I)C=CC=1Cl)C1C=CC(F)=CC=1,3.4394905903896835,(2-chloro-5-iodophenyl)(4-fluorophenyl)methanone
O=C(C1C=CC(Cl)=CC=1)N1C=CN=C1C1C=CC=CC=1,400.0,4.0,2.0,0.0,282.73,16.0,1.0,O=C(C1C=CC(Cl)=CC=1)N1C=CN=C1C1C=CC=CC=1,2.6020599913279625,"1H-Imidazole, 1-(4-chlorobenzoyl)-2-phenyl-"
O=C(C1C=CC(F)=CC=1)C1C=CC(F)=CC=1,3500.0,4.0,2.0,0.0,218.202,13.0,1.0,O=C(C1C=CC(F)=CC=1)C1C=CC(F)=CC=1,3.5440680443502757,"4,4'-Difluorobenzophenone"
O=C(C1C=CC2=CC=CC=C2N=1)N1CCN=C1NC1C(Cl)=CC=CC=1Cl,44.0,4.0,1.0,0.0,385.254,19.0,1.0,O=C(C1C=CC2=CC=CC=C2N=1)N1CCN=C1NC1C(Cl)=CC=CC=1Cl,1.6434526764861874,"1H-Imidazol-2-amine, 4,5-dihydro-N-(2,6-dichlorophenyl)-1-(2-quinolinylcarbonyl)-"
O=C(C1C=CC=CC=1)C1C=CC(=CC=1)C1C=CC=CC=1,3500.0,4.0,2.0,0.0,258.32,19.0,1.0,O=C(C1C=CC=CC=1)C1C=CC(=CC=1)C1C=CC=CC=1,3.5440680443502757,"Methanone, [1,1'-biphenyl]-4-ylphenyl-"
O=C(C1C=CC=CC=1)C1C=CC=CC=1,5950.0,4.0,2.0,0.0,182.222,13.0,1.0,O=C(C1C=CC=CC=1)C1C=CC=CC=1,3.7745169657285498,Benzophenone
O=C(C1C=CC=CC=1)N1CCN=C1NC1C(Cl)=CC=CC=1Cl,68.1,4.0,2.0,0.0,334.206,16.0,1.0,O=C(C1C=CC=CC=1)N1CCN=C1NC1C(Cl)=CC=CC=1Cl,1.8331471119127851,Benclonidine
O=C(C1CCCC1)C1=CC=CC=C1Cl,1150.0,4.0,1.0,0.0,208.68799999999993,12.0,1.0,O=C(C1CCCC1)C1=CC=CC=C1Cl,3.060697840353612,2-Chlorophenyl cyclopentyl ketone
O=C(C1CCCCC1)C1C=CC=CC=1,2751.0,4.0,2.0,0.0,188.2699999999999,13.0,1.0,O=C(C1CCCCC1)C1C=CC=CC=1,3.4394905903896835,Cyclohexylphenylketone
O=C(C1CCCCC1)N1CC2C3C=CC=CC=3CCN2C(=O)C1,2840.0,4.0,3.0,0.0,312.41300000000007,19.0,2.0,O=C(C1CCCCC1)N1CC2C3C=CC=CC=3CCN2C(=O)C1,3.4533183400470375,Praziquantel
O=C(C1CCNCC1)C1C=CC(F)=CC=1,175.0,4.0,2.0,0.0,207.24799999999996,12.0,1.0,O=C(C1CCNCC1)C1C=CC(F)=CC=1,2.2430380486862944,p-Fluorophenyl 4-piperidyl ketone hydrochloride
O=C(C=CC1C=CC=CC=1)OCC1C=CC=CC=1,4367.0,4.0,2.0,0.0,238.286,16.0,2.0,O=C(C=CC1C=CC=CC=1)OCC1C=CC=CC=1,3.64018319192134,Benzyl cinnamate
O=C(C=CC1C=CC=CC=1)OCC=CC1C=CC=CC=1,4200.0,4.0,2.0,0.0,264.324,18.0,2.0,O=C(C=CC1C=CC=CC=1)OCC=CC1C=CC=CC=1,3.6232492903979003,3-Phenyl-2-propen-1-yl 3-phenylacrylate
O=C(C=CC1C=CC=CC=1)OCCC1C=CC=CC=1,7500.0,4.0,3.0,0.0,252.313,17.0,2.0,O=C(C=CC1C=CC=CC=1)OCCC1C=CC=CC=1,3.8750612633917,2-Phenylethyl 3-phenylprop-2-enoate
O=C(C=CC1C=CC=CC=1)OCCCC1C=CC=CC=1,7500.0,4.0,2.0,0.0,266.34,18.0,2.0,O=C(C=CC1C=CC=CC=1)OCCCC1C=CC=CC=1,3.8750612633917,3-Phenylpropyl cinnamate
O=C(C=CC=CC1C=C2OCOC2=CC=1)N1CCCCC1,514.0,4.0,3.0,0.0,285.343,17.0,3.0,O=C(C=CC=CC1C=C2OCOC2=CC=1)N1CCCCC1,2.710963118995276,Piperine
O=C(CC(=O)C1C=CC=CC=1)C1C=CC=CC=1,2751.0,4.0,2.0,0.0,224.259,15.0,2.0,O=C(CC(=O)C1C=CC=CC=1)C1C=CC=CC=1,3.4394905903896835,"1,3-Diphenyl-1,3-propanedione"
O=C(CC1C=CC(=CC=1)C1C=CC=CC=1)NC1=CC=CC=N1,1857.0,4.0,2.0,0.0,288.35,19.0,1.0,O=C(CC1C=CC(=CC=1)C1C=CC=CC=1)NC1=CC=CC=N1,3.2688119037397803,Difenpiramide
O=C(CC1C=CC=CC=1)CC1C=CC=CC=1,3500.0,4.0,2.0,0.0,210.276,15.0,1.0,O=C(CC1C=CC=CC=1)CC1C=CC=CC=1,3.5440680443502757,"2-Propanone, 1,3-diphenyl-"
O=C(CC1C=CC=CC=1)OCC1C=CC=CC=1,7500.0,4.0,2.0,0.0,226.275,15.0,2.0,O=C(CC1C=CC=CC=1)OCC1C=CC=CC=1,3.8750612633917,Benzyl phenylacetate
O=C(CC1C=CC=CC=1)OCCC1C=CC=CC=1,10001.0,4.0,2.0,0.0,240.30199999999996,16.0,2.0,O=C(CC1C=CC=CC=1)OCCC1C=CC=CC=1,4.000043427276863,2-Phenylethyl phenylacetate
O=C(CCBr)N1CCN(CC1)C(=O)CCBr,220.0,4.0,2.0,0.0,356.058,10.0,2.0,O=C(CCBr)N1CCN(CC1)C(=O)CCBr,2.342422680822206,Pipobroman
O=C(CCC1C=CC=CC=1)OC1=C(OC(=O)CCC2C=CC=CC=2)C(=O)OC1=O,10000.0,4.0,1.0,0.0,394.3790000000001,22.0,7.0,O=C(CCC1C=CC=CC=1)OC1=C(OC(=O)CCC2C=CC=CC=2)C(=O)OC1=O,4.0,"Maleic anhydride, dihydroxy-, bis(hydrocinnamate)"
O=C(CCCCC(=O)OC1CCCCC1)OC1CCCCC1,10001.0,4.0,2.0,0.0,310.4340000000001,18.0,4.0,O=C(CCCCC(=O)OC1CCCCC1)OC1CCCCC1,4.000043427276863,Dicyclohexyl adipate
O=C(CCCCC(=O)OCC1CC2OC2CC1)OCC1CC2OC2CC1,5625.0,4.0,1.0,0.0,366.4540000000002,20.0,6.0,O=C(CCCCC(=O)OCC1CC2OC2CC1)OCC1CC2OC2CC1,3.7501225267834,"Bis[(3,4-epoxycyclohexyl)methyl] adipate"
O=C(CCCCl)C1C=CC(F)=CC=1,3500.0,4.0,2.0,0.0,200.64,10.0,1.0,O=C(CCCCl)C1C=CC(F)=CC=1,3.5440680443502757,4-Chloro-1-(4-fluorophenyl)-1-butanone
O=C(CCCN1CC2CC3C4C=CC=CC=4NC=3CN2CC1)C1C=CC(F)=CC=1,700.0,4.0,1.0,0.0,391.4900000000002,24.0,1.0,O=C(CCCN1CC2CC3C4C=CC=CC=4NC=3CN2CC1)C1C=CC(F)=CC=1,2.845098040014257,
O=C(CCCN1CC=C(CC1)C1C=CC=CC=1)C1C=C2CCC(=O)NC2=CC=1,500.0,4.0,1.0,0.0,374.484,24.0,2.0,O=C(CCCN1CC=C(CC1)C1C=CC=CC=1)C1C=C2CCC(=O)NC2=CC=1,2.6989700043360187,
O=C(CCCN1CCC(CC1)N1C(=S)NC2C=CC=CC1=2)C1C=CC(F)=CC=1,232.0,4.0,1.0,1.0,397.5190000000002,22.0,1.0,O=C(CCCN1CCC(CC1)N1C(=S)NC2C=CC=CC1=2)C1C=CC(F)=CC=1,2.3654879848909,Timiperone
O=C(CCCN1CCN(CC1)C(=O)OC1CCCCC1)C1C=CC(F)=CC=1,1080.0,4.0,1.0,0.0,376.4720000000001,21.0,3.0,O=C(CCCN1CCN(CC1)C(=O)OC1CCCCC1)C1C=CC(F)=CC=1,3.03342375548695,Fenaperone hydrochloride
O=C(CCCN1CCN(CC1)C1=CC=CC=N1)C1C=CC(F)=CC=1,245.0,4.0,3.0,0.0,327.403,19.0,1.0,O=C(CCCN1CCN(CC1)C1=CC=CC=N1)C1C=CC(F)=CC=1,2.3891660843645326,Azaperone
O=C(CCCl)NCC1C=CC=CC=1,3200.0,4.0,2.0,0.0,197.665,10.0,1.0,O=C(CCCl)NCC1C=CC=CC=1,3.505149978319906,Beclamide
O=C(CCN1CCC(CC2C=CC=CC=2)CC1)C1=CC2CCC(=O)NC=2C=C1,500.0,4.0,1.0,0.0,376.50000000000006,24.0,2.0,O=C(CCN1CCC(CC2C=CC=CC=2)CC1)C1=CC2CCC(=O)NC=2C=C1,2.6989700043360187,"2(1H)-Quinolinone, 3,4-dihydro-6-(1-oxo-3-(4-(phenylmethyl)-1-piperidinyl)propyl)-"
O=C(CCNNC(=O)C1=CC=NC=C1)NCC1C=CC=CC=1,1700.0,4.0,3.0,0.0,298.346,16.0,2.0,O=C(CCNNC(=O)C1=CC=NC=C1)NCC1C=CC=CC=1,3.230448921378274,Nialamide
O=C(CCS)OCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS,1500.0,3.0,1.0,2.0,488.67100000000033,17.0,8.0,O=C(CCS)OCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS,3.1760912590556813,"3-[(3-Sulfanylpropanoyl)oxy]-2,2-bis{[(3-sulfanylpropanoyl)oxy]methyl}propyl 3-sulfanylpropanoate"
O=C(CCS)OCCN1C(=O)N(CCOC(=O)CCS)C(=O)N(CCOC(=O)CCS)C1=O,194.0,2.0,1.0,3.0,525.6270000000003,18.0,9.0,O=C(CCS)OCCN1C(=O)N(CCOC(=O)CCS)C(=O)N(CCOC(=O)CCS)C1=O,2.287801729930226,"Propanoic acid, 3-mercapto-, (2,4,6-trioxo-1,3,5-triazine-1,3,5(2H,4H,6H)-triyl)tri-2,1-ethanediyl ester"
O=C(CCS)OCCOC(=O)CCS,310.0,4.0,1.0,0.0,238.32999999999996,8.0,4.0,O=C(CCS)OCCOC(=O)CCS,2.4913616938342726,"1,2-Ethanediyl 3'-mercaptopropionate"
O=C(CCl)C1C=CC(Cl)=CC=1Cl,619.0,3.0,2.0,0.0,223.486,8.0,1.0,O=C(CCl)C1C=CC(Cl)=CC=1Cl,2.791690649020118,"2,2',4'-Trichloroacetophenone"
O=C(CCl)C1C=CC(F)=CC=1,235.0,3.0,2.0,0.0,172.58599999999998,8.0,1.0,O=C(CCl)C1C=CC(F)=CC=1,2.3710678622717363,2-Chloro-4'-fluoroacetophenone
O=C(CCl)C1C=CC=CC=1,108.0,2.0,2.0,0.0,154.596,8.0,1.0,O=C(CCl)C1C=CC=CC=1,2.03342375548695,2-Chloroacetophenone
O=C(CCl)CC(=O)NC1C=CC=CC=1,1825.0,4.0,2.0,0.0,211.648,10.0,2.0,O=C(CCl)CC(=O)NC1C=CC=CC=1,3.2612628687924934,"Butanamide, 4-chloro-3-oxo-N-phenyl-"
O=C(CCl)CCl,20.0,1.0,2.0,0.0,126.97,3.0,1.0,O=C(CCl)CCl,1.3010299956639813,"1,3-Dichloropropanone"
O=C(CCl)N(C1C(Cl)=CC=CC=1Cl)C1C=CC=CC=1,7500.0,4.0,2.0,0.0,314.59900000000005,14.0,1.0,O=C(CCl)N(C1C(Cl)=CC=CC=1Cl)C1C=CC=CC=1,3.8750612633917,"2-Chloro-N-(2,6-dichlorophenyl)-N-phenylacetamide"
O=C(CF)NNC1C=CC=CC=1,9.1,4.0,2.0,0.0,168.17100000000002,8.0,1.0,O=C(CF)NNC1C=CC=CC=1,0.9590413923210935,Faniline
O=C(CN1CC1)NCCCCCCCCNC(=O)CN1CC1,225.0,4.0,2.0,0.0,310.44200000000006,16.0,2.0,O=C(CN1CC1)NCCCCCCCCNC(=O)CN1CC1,2.3521825181113627,SRI-5
O=C(CN1CCNCC1)NC1CCCCC1,3900.0,4.0,2.0,0.0,225.33599999999996,12.0,1.0,O=C(CN1CCNCC1)NC1CCCCC1,3.591064607026499,Esaprazole
O=C(COC1C=CC(CC2C=CC(Cl)=CC=2)=CC=1)OCC1=CN=CC=C1,2700.0,4.0,1.0,0.0,367.8320000000001,21.0,3.0,O=C(COC1C=CC(CC2C=CC(Cl)=CC=2)=CC=1)OCC1=CN=CC=C1,3.4313637641589874,"Acetic acid, 2-(4-(4-chlorobenzyl)phenoxy)-, 3-pyridinylmethyl ester"
O=C(COC1C=CC(Cl)=CC=1)N1CCN(CC2=CC3OCOC=3C=C2)CC1,4482.0,4.0,2.0,0.0,388.85100000000017,20.0,4.0,O=C(COC1C=CC(Cl)=CC=1)N1CCN(CC2=CC3OCOC=3C=C2)CC1,3.6514718521990424,Fipexide hydrochloride
O=C(COC1C=CC(Cl)=CC=1Cl)OCC=CCCl,547.0,4.0,2.0,0.0,309.576,12.0,3.0,O=C(COC1C=CC(Cl)=CC=1Cl)OCC=CCCl,2.737987326333431,"2,4-D chlorocrotyl ester"
O=C(CS(=O)CC1=CC=CO1)NCC=CCOC1C=C(CN2CCCCC2)C=CN=1,1248.0,4.0,1.0,0.0,431.55800000000033,22.0,4.0,O=C(CS(=O)CC1=CC=CO1)NCC=CCOC1C=C(CN2CCCCC2)C=CN=1,3.0962145853464054,Lafutidine
O=C(CS)OCC(COC(=O)CS)(COC(=O)CS)COC(=O)CS,1500.0,4.0,1.0,2.0,432.56300000000016,13.0,8.0,O=C(CS)OCC(COC(=O)CS)(COC(=O)CS)COC(=O)CS,3.1760912590556813,"Acetic acid, mercapto-, 2,2-bis[[(mercaptoacetyl)oxy]methyl]-1,3-propanediyl ester"
O=C(CS)OCCCCOC(=O)CS,405.0,4.0,1.0,0.0,238.32999999999996,8.0,4.0,O=C(CS)OCCCCOC(=O)CS,2.6074550232146687,"Acetic acid, mercapto-, 1,4-butanediyl ester"
O=C(CS)OCCOC(=O)CS,318.0,4.0,2.0,0.0,210.276,6.0,4.0,O=C(CS)OCCOC(=O)CS,2.5024271199844326,"Ethane-1,2-diyl bis(sulfanylacetate)"
O=C(Cl)C(C1C=CC=CC=1)C1C=CC=CC=1,6330.0,4.0,1.0,0.0,230.694,14.0,1.0,O=C(Cl)C(C1C=CC=CC=1)C1C=CC=CC=1,3.801403710017355,"2,2-Diphenylacetyl chloride"
O=C(Cl)C(Cl)(Cl)Cl,1121.0,2.0,2.0,0.0,181.833,2.0,1.0,O=C(Cl)C(Cl)(Cl)Cl,3.049605612594973,Trichloroacetyl chloride
O=C(Cl)C(Cl)Cl,1855.0,1.0,2.0,0.0,147.388,2.0,1.0,O=C(Cl)C(Cl)Cl,3.268343913951065,Dichloroacetyl chloride
O=C(Cl)C1=CC=C(Cl)C=C1,3200.0,3.0,2.0,0.0,175.014,7.0,1.0,O=C(Cl)C1=CC=C(Cl)C=C1,3.505149978319906,4-Chlorobenzoyl chloride
O=C(Cl)C1=CC=CC=C1C(F)(F)F,8200.0,3.0,2.0,0.0,208.56599999999997,8.0,1.0,O=C(Cl)C1=CC=CC=C1C(F)(F)F,3.9138138523837167,"alpha,alpha,alpha-Trifluoro-o-toluoyl chloride"
O=C(Cl)C1=CC=CC=C1F,3500.0,1.0,2.0,0.0,158.55899999999997,7.0,1.0,O=C(Cl)C1=CC=CC=C1F,3.5440680443502757,2-Fluorobenzoyl chloride
O=C(Cl)C1C=C(C=CC=1)C(=O)Cl,2200.0,3.0,2.0,0.0,203.02399999999997,8.0,2.0,O=C(Cl)C1C=C(C=CC=1)C(=O)Cl,3.342422680822206,"1,3-Benzenedicarbonyl dichloride"
O=C(Cl)C1C=C(C=CC=1)S(=O)(=O)Cl,1780.0,3.0,2.0,0.0,239.079,7.0,3.0,O=C(Cl)C1C=C(C=CC=1)S(=O)(=O)Cl,3.250420002308894,"Benzoyl chloride, 3-(chlorosulfonyl)-"
O=C(Cl)C1C=C(Cl)C=C(Cl)C=1,794.0,3.0,2.0,0.0,209.459,7.0,1.0,O=C(Cl)C1C=C(Cl)C=C(Cl)C=1,2.8998205024270964,"3,5-Dichlorobenzoyl chloride"
O=C(Cl)C1C=CC(=CC=1)C(=O)Cl,2500.0,3.0,2.0,0.0,203.024,8.0,2.0,O=C(Cl)C1C=CC(=CC=1)C(=O)Cl,3.3979400086720375,"1,4-Benzenedicarbonyl dichloride"
O=C(Cl)C1C=CC(Cl)=CC=1Cl,4640.0,3.0,2.0,0.0,209.459,7.0,1.0,O=C(Cl)C1C=CC(Cl)=CC=1Cl,3.6665179805548807,"2,4-Dichlorobenzoyl chloride"
O=C(Cl)C1C=CC=CC=1,2550.0,1.0,2.0,0.0,140.569,7.0,1.0,O=C(Cl)C1C=CC=CC=1,3.406540180433955,Benzoyl chloride
O=C(Cl)CCCCCCCCC(=O)Cl,400.0,4.0,0.0,0.0,239.14199999999997,10.0,2.0,O=C(Cl)CCCCCCCCC(=O)Cl,2.6020599913279625,Decanedioyl dichloride
O=C(Cl)CCCCCl,1250.0,1.0,2.0,0.0,155.024,5.0,1.0,O=C(Cl)CCCCCl,3.0969100130080562,"Valeryl chloride, 5-chloro-"
O=C(Cl)CCCCl,1426.0,1.0,2.0,0.0,140.997,4.0,1.0,O=C(Cl)CCCCl,3.154119525515847,4-Chlorobutyryl chloride
O=C(Cl)CCCl,1156.0,1.0,2.0,0.0,126.97,3.0,1.0,O=C(Cl)CCCl,3.0629578340845103,"Propanoyl chloride, 3-chloro-"
O=C(Cl)CCl,204.0,1.0,2.0,0.0,112.943,2.0,1.0,O=C(Cl)CCl,2.3096301674258988,Chloroacetyl chloride
O=C(Cl)OC1C=CC=C2C=CC=CC2=1,2550.0,4.0,1.0,0.0,206.628,11.0,2.0,O=C(Cl)OC1C=CC=C2C=CC=CC2=1,3.406540180433955,"Carbonochloridic acid, 1-naphthalenyl ester"
O=C(Cl)OCC1C=CC=CC=1,3000.0,3.0,2.0,0.0,170.59500000000003,8.0,2.0,O=C(Cl)OCC1C=CC=CC=1,3.4771212547196626,Benzyl chloroformate
O=C(Cl)OCCOCCOC(=O)Cl,1020.0,4.0,2.0,0.0,231.031,6.0,5.0,O=C(Cl)OCCOCCOC(=O)Cl,3.0086001717619175,"Carbonochloridic acid, oxydi-2,1-ethanediyl ester"
O=C(N=NC1C=CC(C=C1)N=O)C1C=CC=CC=1,100.0,4.0,2.0,0.0,241.25000000000003,13.0,2.0,O=C(N=NC1C=CC(C=C1)N=O)C1C=CC=CC=1,2.0,Benquinox
O=C(NC(=O)NC1=CC(Cl)=C(OC(F)(F)C(F)C(F)(F)F)C(Cl)=C1F)C1C(F)=CC=CC=1F,5500.0,2.0,1.0,2.0,529.142,17.0,3.0,O=C(NC(=O)NC1=CC(Cl)=C(OC(F)(F)C(F)C(F)(F)F)C(Cl)=C1F)C1C(F)=CC=CC=1F,3.7403626894942437,Noviflumuron
O=C(NC(=O)NC1C=C(Cl)C(OC(F)(F)C(F)F)=C(Cl)C=1)C1C(F)=CC=CC=1F,7500.0,4.0,1.0,1.0,461.1450000000001,16.0,3.0,O=C(NC(=O)NC1C=C(Cl)C(OC(F)(F)C(F)F)=C(Cl)C=1)C1C(F)=CC=CC=1F,3.8750612633917,Hexaflumuron
O=C(NC(CCC1=CC2OCOC=2C=C1)CCC1=CC2OCOC=2C=C1)C1=CC2=CC=CC=C2O1,4000.0,4.0,0.0,1.0,471.5090000000002,28.0,6.0,O=C(NC(CCC1=CC2OCOC=2C=C1)CCC1=CC2OCOC=2C=C1)C1=CC2=CC=CC=C2O1,3.6020599913279625,"2-Benzofurancarboxamide, N-(3-(1,3-benzodioxol-5-yl)-1-(2-(1,3-benzodioxol-5-yl)ethyl)propyl)-"
O=C(NC1=CC(Cl)=NC=C1)NC1C=CC=CC=1,4917.0,4.0,2.0,0.0,247.68499999999997,12.0,1.0,O=C(NC1=CC(Cl)=NC=C1)NC1C=CC=CC=1,3.6917002082901615,Forchlorfenuron
O=C(NC1=CC2=C(NC3C4=C(C=CC2=3)C(=O)C2C(=CC=CC=2C4=O)NC(=O)C2C=CC=CC=2)C2=C1C(=O)C1C=CC=CC=1C2=O)C1C=CC=CC=1,6274.0,0.0,1.0,2.0,665.6610000000002,42.0,6.0,O=C(NC1=CC2=C(NC3C4=C(C=CC2=3)C(=O)C2C(=CC=CC=2C4=O)NC(=O)C2C=CC=CC=2)C2=C1C(=O)C1C=CC=CC=1C2=O)C1C=CC=CC=1,3.7975445143617264,C.I. Vat brown 3
O=C(NC1=CC=C(F)C=C1F)C1C=CC=NC=1OC1=CC(=CC=C1)C(F)(F)F,4126.0,4.0,1.0,1.0,394.299,19.0,2.0,O=C(NC1=CC=C(F)C=C1F)C1C=CC=NC=1OC1=CC(=CC=C1)C(F)(F)F,3.615529223637133,Diflufenican
O=C(NC1=CN=NS1)NC1C=CC=CC=1,4469.0,4.0,2.0,0.0,220.257,9.0,1.0,O=C(NC1=CN=NS1)NC1C=CC=CC=1,3.6502103546603593,Thidiazuron
O=C(NC1=NN=C(CCN2C3=CC=CC=C3SC3=CC=CC=C23)S1)C1C=CC=CC=1,3225.0,3.0,1.0,1.0,430.55800000000016,23.0,1.0,O=C(NC1=NN=C(CCN2C3=CC=CC=C3SC3=CC=CC=C23)S1)C1C=CC=CC=1,3.5085297189712867,"Benzamide, N-(5-(2-(10H-phenothiazin-10-yl)ethyl)-1,3,4-thiodiazol-2-yl)-"
O=C(NC1C=C(Cl)C(Cl)=CC=1)C1CC1,1449.0,4.0,2.0,0.0,230.09399999999997,10.0,1.0,O=C(NC1C=C(Cl)C(Cl)=CC=1)C1CC1,3.1610683854711747,Cypromid
O=C(NC1C=C(Cl)C(Cl)=CC=1)NC1C=CC(Cl)=CC=1,2751.0,4.0,2.0,1.0,315.587,13.0,1.0,O=C(NC1C=C(Cl)C(Cl)=CC=1)NC1C=CC(Cl)=CC=1,3.4394905903896835,Triclocarban
O=C(NC1C=C(Cl)C(F)=C(Cl)C=1F)NC(=O)C1C(F)=CC=CC=1F,7500.0,4.0,1.0,0.0,381.1120000000001,14.0,2.0,O=C(NC1C=C(Cl)C(F)=C(Cl)C=1F)NC(=O)C1C(F)=CC=CC=1F,3.8750612633917,Teflubenzuron
O=C(NC1C=C(Cl)C(OC2=NC=C(C=C2Cl)C(F)(F)F)=C(Cl)C=1)NC(=O)C1C(F)=CC=CC=1F,445.0,2.0,1.0,2.0,540.6590000000002,20.0,3.0,O=C(NC1C=C(Cl)C(OC2=NC=C(C=C2Cl)C(F)(F)F)=C(Cl)C=1)NC(=O)C1C(F)=CC=CC=1F,2.6483600109809315,Chlorfluazuron
O=C(NC1C=C(Cl)C=CC=1)OCC#CCCl,964.75,4.0,3.0,0.0,258.1039999999999,11.0,2.0,O=C(NC1C=C(Cl)C=CC=1)OCC#CCCl,2.984414787243434,Barban
O=C(NC1C=CC(=CC=1)OC(F)(F)F)NC(=O)C1=CC=CC=C1Cl,7500.0,4.0,1.0,0.0,358.70300000000003,15.0,3.0,O=C(NC1C=CC(=CC=1)OC(F)(F)F)NC(=O)C1=CC=CC=C1Cl,3.8750612633917,Triflumuron
O=C(NC1C=CC(=CC=1F)OC1C=CC(=CC=1Cl)C(F)(F)F)NC(=O)C1C(F)=CC=CC=1F,4875.0,2.0,1.0,1.0,488.7710000000001,21.0,3.0,O=C(NC1C=CC(=CC=1F)OC1C=CC(=CC=1Cl)C(F)(F)F)NC(=O)C1C(F)=CC=CC=1F,3.687974620034556,Flufenoxuron
O=C(NC1C=CC(CC2C=CC(=CC=2)NC(=O)N2CC2)=CC=1)N1CC1,662.0,4.0,3.0,0.0,336.3950000000001,19.0,2.0,O=C(NC1C=CC(CC2C=CC(=CC=2)NC(=O)N2CC2)=CC=1)N1CC1,2.8208579894397,"1-Aziridinecarboxamide, N,N'-(methylenedi-4,1-phenylene)bis-"
O=C(NC1C=CC(CC2C=CC(=CC=2)NC(=O)NC2CCCCC2)=CC=1)NC1CCCCC1,2751.0,2.0,1.0,1.0,448.6110000000004,27.0,2.0,O=C(NC1C=CC(CC2C=CC(=CC=2)NC(=O)NC2CCCCC2)=CC=1)NC1CCCCC1,3.4394905903896835,ST50987637
O=C(NC1C=CC(Cl)=CC=1)NC(=O)C1C(F)=CC=CC=1F,3768.0,4.0,2.0,0.0,310.687,14.0,2.0,O=C(NC1C=CC(Cl)=CC=1)NC(=O)C1C(F)=CC=CC=1F,3.57611089412084,Diflubenzuron
O=C(NC1C=CC=CC=1)C1C=CC=CC=1I,6400.0,4.0,2.0,0.0,323.133,13.0,1.0,O=C(NC1C=CC=CC=1)C1C=CC=CC=1I,3.806179973983887,Benodanil
O=C(NC1C=CC=CC=1)N(CC1C=CC(Cl)=CC=1)C1CCCC1,7500.0,4.0,2.0,1.0,328.84300000000013,19.0,1.0,O=C(NC1C=CC=CC=1)N(CC1C=CC(Cl)=CC=1)C1CCCC1,3.8750612633917,Pencycuron
O=C(NC1C=CC=CC=1C1C=CC(Cl)=CC=1)C1C=CC=NC=1Cl,7500.0,4.0,2.0,1.0,343.21299999999997,18.0,1.0,O=C(NC1C=CC=CC=1C1C=CC(Cl)=CC=1)C1C=CC=NC=1Cl,3.8750612633917,Boscalid
O=C(NC1C=CC=CC=1SSC1=CC=CC=C1NC(=O)C1C=CC=CC=1)C1C=CC=CC=1,4250.0,2.0,1.0,1.0,456.59200000000016,26.0,2.0,O=C(NC1C=CC=CC=1SSC1=CC=CC=C1NC(=O)C1C=CC=CC=1)C1C=CC=CC=1,3.6283889300503116,"2,2'-Dibenzoylaminodiphenyl disulfide"
O=C(NC1CCN(CCC2=CNC3C=CC=CC2=3)CC1)C1C=CC=CC=1,1800.0,4.0,2.0,0.0,347.46200000000016,22.0,1.0,O=C(NC1CCN(CCC2=CNC3C=CC=CC2=3)CC1)C1C=CC=CC=1,3.255272505103306,Indoramin
O=C(NCC1=NC=C(C=C1Cl)C(F)(F)F)C1C(Cl)=CC=CC=1Cl,3500.0,4.0,1.0,0.0,383.58400000000006,14.0,1.0,O=C(NCC1=NC=C(C=C1Cl)C(F)(F)F)C1C(Cl)=CC=CC=1Cl,3.5440680443502757,Fluopicolide
O=C(NCC1C=CC=CC=1)NCCCCCCNC(=O)NCC1C=CC=CC=1,3500.0,4.0,0.0,0.0,382.5080000000001,22.0,2.0,O=C(NCC1C=CC=CC=1)NCCCCCCNC(=O)NCC1C=CC=CC=1,3.5440680443502757,"Urea, N,N''-1,6-hexanediylbis[N'-(phenylmethyl)-"
O=C(NCC1CCCCN1)C1C=C(C=CC=1OCC(F)(F)F)OCC(F)(F)F,1346.0,4.0,2.0,0.0,414.34600000000006,17.0,3.0,O=C(NCC1CCCCN1)C1C=C(C=CC=1OCC(F)(F)F)OCC(F)(F)F,3.1290450598879582,Flecainide
O=C(NCCCCCCN=C=O)N(CCCCCCN=C=O)C(=O)NCCCCCCN=C=O,10001.0,3.0,1.0,0.0,478.5940000000004,23.0,5.0,O=C(NCCCCCCN=C=O)N(CCCCCCN=C=O)C(=O)NCCCCCCN=C=O,4.000043427276863,"Imidodicarbonic diamide, N,N',2-tris(6-isocyanatohexyl)-"
O=C(NCCN1CCOCC1)C1C=CC(Cl)=CC=1,707.0,4.0,3.0,0.0,268.74399999999997,13.0,2.0,O=C(NCCN1CCOCC1)C1C=CC(Cl)=CC=1,2.8494194137968996,Moclobemide
O=C(NN1CCCC1)NS(=O)(=O)C1C=CC(Cl)=CC=1,4100.0,4.0,3.0,0.0,303.771,11.0,3.0,O=C(NN1CCCC1)NS(=O)(=O)C1C=CC(Cl)=CC=1,3.6127838567197355,Glyclopyramide
O=C(OC(=O)C(Cl)Cl)C(Cl)Cl,2820.0,3.0,2.0,0.0,239.869,4.0,3.0,O=C(OC(=O)C(Cl)Cl)C(Cl)Cl,3.450249108319361,Dichloroacetic anhydride
O=C(OC1C(OC(=O)C2C=CC=CC=2)C(OC2(COC(=O)C3C=CC=CC=3)OC(COC(=O)C3C=CC=CC=3)C(OC(=O)C3C=CC=CC=3)C2OC(=O)C2C=CC=CC=2)OC(COC(=O)C2C=CC=CC=2)C1OC(=O)C1C=CC=CC=1)C1C=CC=CC=1,2547.0,0.0,0.0,4.0,1175.1610000000005,68.0,19.0,O=C(OC1C(OC(=O)C2C=CC=CC=2)C(OC2(COC(=O)C3C=CC=CC=3)OC(COC(=O)C3C=CC=CC=3)C(OC(=O)C3C=CC=CC=3)C2OC(=O)C2C=CC=CC=2)OC(COC(=O)C2C=CC=CC=2)C1OC(=O)C1C=CC=CC=1)C1C=CC=CC=1,3.406028944963615,Sucrose octabenzoate
O=C(OC1C(OC(=O)C2C=NC=CC=2)C(OC(=O)C2C=NC=CC=2)C(OC(=O)C2C=NC=CC=2)C(OC(=O)C2C=NC=CC=2)C1OC(=O)C1C=NC=CC=1)C1C=NC=CC=1,10001.0,1.0,0.0,3.0,810.7320000000001,42.0,12.0,O=C(OC1C(OC(=O)C2C=NC=CC=2)C(OC(=O)C2C=NC=CC=2)C(OC(=O)C2C=NC=CC=2)C(OC(=O)C2C=NC=CC=2)C1OC(=O)C1C=NC=CC=1)C1C=NC=CC=1,4.000043427276863,Inositol niacinate
O=C(OC1C=CC=CC=1)C1=CC=CC=C1C(=O)OC1C=CC=CC=1,8000.0,4.0,2.0,0.0,318.328,20.0,4.0,O=C(OC1C=CC=CC=1)C1=CC=CC=C1C(=O)OC1C=CC=CC=1,3.9030899869919438,Diphenyl phthalate
O=C(OC1C=CC=CC=1)N1C(=NC2C=C(Cl)C(Cl)=CC1=2)C(F)(F)F,240.0,4.0,1.0,1.0,375.133,15.0,2.0,O=C(OC1C=CC=CC=1)N1C(=NC2C=C(Cl)C(Cl)=CC1=2)C(F)(F)F,2.380211241711606,Fenazaflor
O=C(OC1C=CC=CC=1)OC1C=CC=CC=1,1500.0,4.0,2.0,0.0,214.21999999999997,13.0,3.0,O=C(OC1C=CC=CC=1)OC1C=CC=CC=1,3.1760912590556813,Diphenylcarbonate
O=C(OC1CCC(CC1)N1CCCCC1)C1C=CC=CC=1,780.0,4.0,2.0,0.0,287.40299999999996,18.0,2.0,O=C(OC1CCC(CC1)N1CCCCC1)C1C=CC=CC=1,2.8920946026904804,"Cyclohexanol, 4-piperidino-, benzoate (ester)"
O=C(OC1CCCCC1)C(OC1=CC=C(Cl)C=C1)OC1=CC=C(Cl)C=C1,900.0,3.0,1.0,1.0,395.28200000000015,20.0,4.0,O=C(OC1CCCCC1)C(OC1=CC=C(Cl)C=C1)OC1=CC=C(Cl)C=C1,2.9542425094393248,"Acetic acid, bis(p-chlorophenoxy)-, cyclohexyl ester"
O=C(OC1CCCCC1)C1C=CC=CC=1C(=O)OC1CCCCC1,10001.0,4.0,2.0,0.0,330.4240000000002,20.0,4.0,O=C(OC1CCCCC1)C1C=CC=CC=1C(=O)OC1CCCCC1,4.000043427276863,Dicyclohexyl phthalate
O=C(OC1OC(=O)C2C=CC=CC=21)C1C=CC=NC=1NC1C=C(C=CC=1)C(F)(F)F,10001.0,4.0,1.0,0.0,414.3390000000001,21.0,4.0,O=C(OC1OC(=O)C2C=CC=CC=21)C1C=CC=NC=1NC1C=C(C=CC=1)C(F)(F)F,4.000043427276863,Talniflumate
O=C(OCC(COC(=O)C1C=CC=CC=1)(COC(=O)C1C=CC=CC=1)COC(=O)C1C=CC=CC=1)C1C=CC=CC=1,1158.0,2.0,0.0,2.0,552.5790000000003,33.0,8.0,O=C(OCC(COC(=O)C1C=CC=CC=1)(COC(=O)C1C=CC=CC=1)COC(=O)C1C=CC=CC=1)C1C=CC=CC=1,3.0637085593914173,"2,2-Bis[(benzoyloxy)methyl]dibenzoate propanediol"
O=C(OCC(Cl)(Cl)Cl)C1=CC=CO1,600.0,3.0,2.0,0.0,243.473,7.0,3.0,O=C(OCC(Cl)(Cl)Cl)C1=CC=CO1,2.7781512503836434,
O=C(OCC1C=CC=CC=1)C1C=CC=CC=1,2274.0,4.0,2.0,0.0,212.248,14.0,2.0,O=C(OCC1C=CC=CC=1)C1C=CC=CC=1,3.356790460351716,Benzyl benzoate
O=C(OCC1C=CC=CC=1)C1SC(Cl)=NC=1C(F)(F)F,5010.0,4.0,2.0,0.0,321.70699999999994,12.0,2.0,O=C(OCC1C=CC=CC=1)C1SC(Cl)=NC=1C(F)(F)F,3.699837725867246,Flurazole
O=C(OCC1CC2OC2CC1)C1CC2OC2CC1,5061.0,4.0,3.0,0.0,252.30999999999997,14.0,4.0,O=C(OCC1CC2OC2CC1)C1CC2OC2CC1,3.7042363373087874,UT-632
O=C(OCC1CO1)C1C=C(C=CC=1)C(=O)OCC1CO1,1000.0,4.0,3.0,0.0,278.26,14.0,6.0,O=C(OCC1CO1)C1C=C(C=CC=1)C(=O)OCC1CO1,3.0,Isophthalic diglycidyl ester
O=C(OCC1CO1)C1CC=CCC1C(=O)OCC1CO1,2938.0,4.0,3.0,0.0,282.29200000000003,14.0,6.0,O=C(OCC1CO1)C1CC=CCC1C(=O)OCC1CO1,3.4680517914542377,CERAPP_37136
O=C(OCC=CC1C=CC=CC=1)C1C=CC=CC=1,4000.0,4.0,1.0,0.0,238.286,16.0,2.0,O=C(OCC=CC1C=CC=CC=1)C1C=CC=CC=1,3.6020599913279625,3-Phenylprop-2-en-1-yl benzoate
O=C(OCCC1C=CC=CC=1)C1C=CC=CC=1,7500.0,4.0,2.0,0.0,226.275,15.0,2.0,O=C(OCCC1C=CC=CC=1)C1C=CC=CC=1,3.8750612633917,2-Phenylethyl benzoate
O=C(OCCCC1C=CC=CC=1)C1C=CC=CC=1,2751.0,4.0,2.0,0.0,240.302,16.0,2.0,O=C(OCCCC1C=CC=CC=1)C1C=CC=CC=1,3.4394905903896835,3-phenylpropyl benzoate
O=C(OCCCOCCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1,9800.0,4.0,2.0,0.0,342.391,20.0,5.0,O=C(OCCCOCCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1,3.9912260756924947,
O=C(OCCOC(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,7000.0,4.0,3.0,0.0,352.812,6.0,4.0,O=C(OCCOC(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,3.845098040014257,Ethylene glycol bis(trichloroacetate)
O=C(OCCOC1C=CC(Cl)=CC=1Cl)C1C=CC=CC=1,1700.0,4.0,2.0,0.0,311.164,15.0,3.0,O=C(OCCOC1C=CC(Cl)=CC=1Cl)C1C=CC=CC=1,3.230448921378274,"2-(2,4-Dichlorophenoxy)ethyl benzoate"
O=C(OCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1,3652.0,4.0,2.0,0.0,314.33700000000005,18.0,5.0,O=C(OCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1,3.562530768862261,Diethylene glycol dibenzoate
O=C(ON1C(=O)CCC1=O)ON1C(=O)CCC1=O,1150.0,3.0,3.0,0.0,256.16999999999996,9.0,7.0,O=C(ON1C(=O)CCC1=O)ON1C(=O)CCC1=O,3.060697840353612,Di(succinimido) carbonate
O=C(OOC(=O)C1C=CC(Cl)=CC=1Cl)C1C=CC(Cl)=CC=1Cl,3125.0,4.0,1.0,1.0,380.0100000000001,14.0,4.0,O=C(OOC(=O)C1C=CC(Cl)=CC=1Cl)C1C=CC(Cl)=CC=1Cl,3.494850021680094,"Bis(2,4-dichlorophenyl)peroxyanhydride"
O=C(OOC(=O)C1C=CC=CC=1)C1C=CC=CC=1,7710.0,4.0,2.0,0.0,242.23,14.0,4.0,O=C(OOC(=O)C1C=CC=CC=1)C1C=CC=CC=1,3.8870543780509568,Benzoyl peroxide
O=C(SC1=NN=C(S)S1)C1C=CC=CC=1,5500.0,4.0,3.0,0.0,254.36100000000005,9.0,1.0,O=C(SC1=NN=C(S)S1)C1C=CC=CC=1,3.7403626894942437,"Benzenecarbothioic acid, S-(4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl) ester"
O=C1C(=NC(=O)C(Cl)Cl)C(Cl)C(=O)C2C=CC=CC1=2,10001.0,4.0,3.0,0.0,318.543,12.0,3.0,O=C1C(=NC(=O)C(Cl)Cl)C(Cl)C(=O)C2C=CC=CC1=2,4.000043427276863,Quinonamid
O=C1C(=NC2=CC=CC=C12)C1NC2=CC=CC=C2C1=O,5976.0,4.0,3.0,0.0,262.268,16.0,2.0,O=C1C(=NC2=CC=CC=C12)C1NC2=CC=CC=C2C1=O,3.7764105888073423,Indigo
O=C1C(C2C=CC(Cl)=CC=2)C(=O)C2=CC=CC=C12,290.0,4.0,2.0,0.0,256.688,15.0,2.0,O=C1C(C2C=CC(Cl)=CC=2)C(=O)C2=CC=CC=C12,2.462397997898956,Clorindione
O=C1C(C2C=CC3=CC=CC=C3N=2)C(=O)C2=CC=CC=C12,7500.0,4.0,3.0,0.0,273.291,18.0,2.0,O=C1C(C2C=CC3=CC=CC=C3N=2)C(=O)C2=CC=CC=C12,3.8750612633917,D&C Yellow 11
O=C1C(C2C=CC=CC=2)C(=O)C2=CC=CC=C12,163.0,4.0,2.0,0.0,222.243,15.0,2.0,O=C1C(C2C=CC=CC=2)C(=O)C2=CC=CC=C12,2.2121876044039577,Phenindione
O=C1C(C2CC(CC3=CC=CC=C32)C2C=CC(=CC=2)C2C=CC=CC=2)C(=O)OC2=CC=CC=C12,2.0,2.0,1.0,1.0,444.53000000000014,31.0,3.0,O=C1C(C2CC(CC3=CC=CC=C32)C2C=CC(=CC=2)C2C=CC=CC=2)C(=O)OC2=CC=CC=C12,0.3010299956639812,Difenacoum
O=C1C(C2CC(CC3=CC=CC=C32)C2C=CC(=CC=2)OCC2C=CC(=CC=2)C(F)(F)F)C(=O)OC2=CC=CC=C12,0.34,1.0,1.0,2.0,542.5530000000002,33.0,4.0,O=C1C(C2CC(CC3=CC=CC=C32)C2C=CC(=CC=2)OCC2C=CC(=CC=2)C(F)(F)F)C(=O)OC2=CC=CC=C12,-0.46852108295774486,Flocoumafen
O=C1C(C2CC(CC3C=CC=CC=32)C2C=CC(=CC=2)C2C=CC(Br)=CC=2)C(=O)OC2C=CC=CC1=2,0.2,1.0,1.0,2.0,523.4260000000002,31.0,3.0,O=C1C(C2CC(CC3C=CC=CC=32)C2C=CC(=CC=2)C2C=CC(Br)=CC=2)C(=O)OC2C=CC=CC1=2,-0.6989700043360187,Brodifacoum
O=C1C(C2CC(CC3C=CC=CC=32)C2C=CC(=CC=2)C2C=CC(Br)=CC=2)C(=O)SC2C=CC=CC1=2,0.55,1.0,1.0,2.0,539.4940000000001,31.0,2.0,O=C1C(C2CC(CC3C=CC=CC=32)C2C=CC(=CC=2)C2C=CC(Br)=CC=2)C(=O)SC2C=CC=CC1=2,-0.2596373105057561,Difethialone
O=C1C(C2CCCC3C=CC=CC=32)C(=O)OC2C=CC=CC1=2,26.625,4.0,2.0,0.0,292.33399999999995,19.0,3.0,O=C1C(C2CCCC3C=CC=CC=32)C(=O)OC2C=CC=CC1=2,1.425289616446794,Coumatetralyl
O=C1C(C=NN2CCOC2=O)=C(N=C2C=CC=CN12)N1CCCCCC1,1000.0,4.0,2.0,0.0,355.398,18.0,3.0,O=C1C(C=NN2CCOC2=O)=C(N=C2C=CC=CN12)N1CCCCCC1,3.0,
O=C1C(CC2C=CC=CC=2)C(=O)N(C2C=CC=CC=2)N1C1C=CC=CC=1,297.0,4.0,2.0,0.0,342.398,22.0,2.0,O=C1C(CC2C=CC=CC=2)C(=O)N(C2C=CC=CC=2)N1C1C=CC=CC=1,2.4727564493172123,"3,5-Pyrazolidinedione, 4-benzyl-1,2-diphenyl-"
O=C1C(CCSC2C=CC=CC=2)C(=O)N(C2C=CC=CC=2)N1C1C=CC=CC=1,450.0,4.0,1.0,0.0,388.4920000000001,23.0,2.0,O=C1C(CCSC2C=CC=CC=2)C(=O)N(C2C=CC=CC=2)N1C1C=CC=CC=1,2.6532125137753435,G 25671
O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl,6214.0,3.0,2.0,0.0,245.876,6.0,2.0,O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl,3.7933712489189557,Chloranil
O=C1C(Cl)=C(Cl)C(=O)N1C1C=CC(F)=CC=1,10001.0,4.0,3.0,0.0,260.051,10.0,2.0,O=C1C(Cl)=C(Cl)C(=O)N1C1C=CC(F)=CC=1,4.000043427276863,Fluoroimide
O=C1C(Cl)=C(Cl)C=NN1C1C=CC=CC=1,2520.0,4.0,2.0,0.0,241.07700000000008,10.0,1.0,O=C1C(Cl)=C(Cl)C=NN1C1C=CC=CC=1,3.401400540781544,"2-Phenyl-4,5-dichloro-3-pyridazinone"
O=C1C(Cl)C(CN1C1=CC(=CC=C1)C(F)(F)F)CCl,3650.0,4.0,2.0,0.0,312.118,12.0,1.0,O=C1C(Cl)C(CN1C1=CC(=CC=C1)C(F)(F)F)CCl,3.5622928644564746,Flurochloridone
O=C1C2(Cl)C3(Cl)C4(Cl)C2(Cl)C2(Cl)C(Cl)(C3(Cl)C21Cl)C4(Cl)Cl,110.5,3.0,1.0,0.0,490.63900000000024,10.0,1.0,O=C1C2(Cl)C3(Cl)C4(Cl)C2(Cl)C2(Cl)C(Cl)(C3(Cl)C21Cl)C4(Cl)Cl,2.0433622780211294,Kepone
O=C1C2=C(C(Cl)=C(Cl)C(Cl)=C2Cl)C(=O)N1C1=CC=CC2=CC=C(N=C21)C1C(=O)C2=C(C(Cl)=C(Cl)C(Cl)=C2Cl)C1=O,10000.0,1.0,1.0,2.0,693.9680000000001,26.0,4.0,O=C1C2=C(C(Cl)=C(Cl)C(Cl)=C2Cl)C(=O)N1C1=CC=CC2=CC=C(N=C21)C1C(=O)C2=C(C(Cl)=C(Cl)C(Cl)=C2Cl)C1=O,4.0,C.I. Pigment Yellow 138
O=C1C2=C(C3=CC=C4C5=C3C1=CC=C5C1C=CC=CC=1C4=O)C(Br)=CC=C2Br,3570.0,2.0,1.0,1.0,490.15,24.0,2.0,O=C1C2=C(C3=CC=C4C5=C3C1=CC=C5C1C=CC=CC=1C4=O)C(Br)=CC=C2Br,3.552668216112193,C.I. Vat Orange 23
O=C1C2=C(C3=NC4C=CC=C5C=CC=C(C5=4)N31)C(Cl)=C(Cl)C(Cl)=C2Cl,6251.0,3.0,1.0,1.0,408.07100000000014,18.0,1.0,O=C1C2=C(C3=NC4C=CC=C5C=CC=C(C5=4)N31)C(Cl)=C(Cl)C(Cl)=C2Cl,3.7959494989028033,C.I. Solvent Red 135
O=C1C2=C3NC(=NC3=CC=C2C(=O)C2=CC=CC=C12)C1=CC(Cl)=C(C=C1Cl)C1NC2=C3C(=CC=C2N=1)C(=O)C1=CC=CC=C1C3=O,7900.0,1.0,1.0,2.0,639.4540000000002,36.0,4.0,O=C1C2=C3NC(=NC3=CC=C2C(=O)C2=CC=CC=C12)C1=CC(Cl)=C(C=C1Cl)C1NC2=C3C(=CC=C2N=1)C(=O)C1=CC=CC=C1C3=O,3.8976270912904414,"1H-Anthra[1,2-d]imidazole-6,11-dione, 2,2'-(2,5-dichloro-1,4-phenylene)bis-"
O=C1C2=C3NC4C(NC3=C(Cl)C=C2C(=O)C2C=CC=CC1=2)=C1C(=CC=4Cl)C(=O)C2C=CC=CC=2C1=O,10001.0,2.0,1.0,2.0,511.3200000000003,28.0,4.0,O=C1C2=C3NC4C(NC3=C(Cl)C=C2C(=O)C2C=CC=CC1=2)=C1C(=CC=4Cl)C(=O)C2C=CC=CC=2C1=O,4.000043427276863,D&C Blue No. 9
O=C1C2=CC(Br)=C3C=CC=C4C3=C2C2=C3C1=CC=CC3=C(Br)C=C2C4=O,10001.0,3.0,1.0,1.0,464.11200000000014,22.0,2.0,O=C1C2=CC(Br)=C3C=CC=C4C3=C2C2=C3C1=CC=CC3=C(Br)C=C2C4=O,4.000043427276863,C.I. Vat Orange 3
O=C1C2=CC=C3C4=C2C(=CC=C4C2=CC=C4C5=C2C3=CC=C5C(=O)N(C2C=CC(=CC=2)N=NC2C=CC=CC=2)C4=O)C(=O)N1C1C=CC(=CC=1)N=NC1C=CC=CC=1,6950.0,0.0,1.0,2.0,750.774,48.0,4.0,O=C1C2=CC=C3C4=C2C(=CC=C4C2=CC=C4C5=C2C3=CC=C5C(=O)N(C2C=CC(=CC=2)N=NC2C=CC=CC=2)C4=O)C(=O)N1C1C=CC(=CC=1)N=NC1C=CC=CC=1,3.8419848045901137,C.I. Pigment Red 178
O=C1C2=CC=C3C4=C2C(=CC=C4C2=NC4C=CC=CC=4N2C3=O)C2=NC3C=CC=CC=3N12,10001.0,4.0,1.0,0.0,412.4080000000002,26.0,2.0,O=C1C2=CC=C3C4=C2C(=CC=C4C2=NC4C=CC=CC=4N2C3=O)C2=NC3C=CC=CC=3N12,4.000043427276863,"Bisbenzimidazo[2,1-b:1',2'-j]benzo[lmn][3,8]phenanthroline-6,9-dione"
O=C1C2=CC=C3C4C2=C(C=CC=4C2=CC=C4C5C2=C3C=CC=5C(=O)N(C2C=CC(Cl)=CC=2)C4=O)C(=O)N1C1C=CC(Cl)=CC=1,3578.0,1.0,1.0,2.0,611.4400000000002,36.0,4.0,O=C1C2=CC=C3C4C2=C(C=CC=4C2=CC=C4C5C2=C3C=CC=5C(=O)N(C2C=CC(Cl)=CC=2)C4=O)C(=O)N1C1C=CC(Cl)=CC=1,3.553640336231354,C.I. Pigment Red 189
O=C1C2=CC=C3C4C2=C(C=CC=4C2=CC=C4C5C2=C3C=CC=5C(=O)N(CCC2C=CC=CC=2)C4=O)C(=O)N1CCC1C=CC=CC=1,6251.0,0.0,1.0,2.0,598.6580000000004,40.0,4.0,O=C1C2=CC=C3C4C2=C(C=CC=4C2=CC=C4C5C2=C3C=CC=5C(=O)N(CCC2C=CC=CC=2)C4=O)C(=O)N1CCC1C=CC=CC=1,3.7959494989028033,"Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(2-phenylethyl)-"
O=C1C2=CC=CC(Cl)=C2C(=O)C2=C1C=CC=C2Cl,3500.0,4.0,2.0,0.0,277.106,14.0,2.0,O=C1C2=CC=CC(Cl)=C2C(=O)C2=C1C=CC=C2Cl,3.5440680443502757,"1,8-Dichloroanthraquinone"
O=C1C2=CC=CC(NC(=O)C3C=CC(=CC=3)C3C=CC(=CC=3)N=NC3C=CC(=CC=3)C3C=CC(=CC=3)C(=O)NC3=CC=CC4=C3C(=O)C3=CC=CC=C3C4=O)=C2C(=O)C2=CC=CC=C12,10001.0,0.0,0.0,2.0,832.8720000000002,54.0,6.0,O=C1C2=CC=CC(NC(=O)C3C=CC(=CC=3)C3C=CC(=CC=3)N=NC3C=CC(=CC=3)C3C=CC(=CC=3)C(=O)NC3=CC=CC4=C3C(=O)C3=CC=CC=C3C4=O)=C2C(=O)C2=CC=CC=C12,4.000043427276863,C.I. Vat Yellow 33
O=C1C2=CC=CC(SC3C=CC=CC=3)=C2C(=O)C2C(=CC=CC1=2)SC1C=CC=CC=1,2345.0,3.0,1.0,1.0,424.5460000000001,26.0,2.0,O=C1C2=CC=CC(SC3C=CC=CC=3)=C2C(=O)C2C(=CC=CC1=2)SC1C=CC=CC=1,3.370142847051102,"9,10-Anthracenedione, 1,8-bis(phenylthio)-"
O=C1C2=CC=CC=C2C(=O)C(CC=C(Cl)Cl)C1=O,281.0,4.0,3.0,0.0,283.11,13.0,3.0,O=C1C2=CC=CC=C2C(=O)C(CC=C(Cl)Cl)C1=O,2.44870631990508,"2-OH NAPHTHOQUINONE,3(33DICLALLYL)"
O=C1C2=CC=CC=C2C2=CC3OCCOC4C=C5C6C7C=4C=3C3C2=C1C=CC=3C=7C=CC=6C(=O)C1=CC=CC=C15,8750.0,1.0,1.0,2.0,514.5360000000003,36.0,4.0,O=C1C2=CC=CC=C2C2=CC3OCCOC4C=C5C6C7C=4C=3C3C2=C1C=CC=3C=7C=CC=6C(=O)C1=CC=CC=C15,3.942008053022313,CERAPP_32484
O=C1C2=CC=CC=C2C2=CC=C3C4C2=C1C=CC=4C1C=CC2=C4C(=NN3C=14)C1=CC=CC=C1C2=O,10001.0,2.0,1.0,1.0,446.4650000000002,31.0,2.0,O=C1C2=CC=CC=C2C2=CC=C3C4C2=C1C=CC=4C1C=CC2=C4C(=NN3C=14)C1=CC=CC=C1C2=O,4.000043427276863,C.I. 70500
O=C1C2=CC=CC=C2C2=CC=C3NC4=C5C(=CC=C4C4=CC=C1C2=C43)C(=O)C1=CC=CC=C1C5=O,6750.0,2.0,1.0,1.0,449.4650000000002,31.0,3.0,O=C1C2=CC=CC=C2C2=CC=C3NC4=C5C(=CC=C4C4=CC=C1C2=C43)C(=O)C1=CC=CC=C1C5=O,3.829303772831025,"Anthra[2,1,9-mna]naphth[2,3-h]acridine-5,10,15(16H)-trione"
O=C1C2=CC=CC=C2C2=NC3C=CC=C4C=CC=C(C4=3)N21,6250.0,4.0,2.0,0.0,270.291,18.0,1.0,O=C1C2=CC=CC=C2C2=NC3C=CC=C4C=CC=C(C4=3)N21,3.7958800173440754,12H-Phthaloperin-12-one
O=C1C2=CC=CC=C2N(CN1C1C=CC=CC=1)C(=O)CN1CCOCC1,2220.0,4.0,2.0,0.0,351.406,20.0,3.0,O=C1C2=CC=CC=C2N(CN1C1C=CC=CC=1)C(=O)CN1CCOCC1,3.346352974450639,Moquizone
O=C1C2=CC=CC=C2S(=O)(=O)N1CCCCNCC1CCC2=CC=CC=C2O1,324.0,4.0,2.0,0.0,400.50000000000017,21.0,4.0,O=C1C2=CC=CC=C2S(=O)(=O)N1CCCCNCC1CCC2=CC=CC=C2O1,2.510545010206612,
O=C1C2C(=C(Br)C(Br)=C(Br)C=2Br)C(=O)N1CCN1C(=O)C2=C(C(Br)=C(Br)C(Br)=C2Br)C1=O,7500.0,1.0,1.0,2.0,951.472,18.0,4.0,O=C1C2C(=C(Br)C(Br)=C(Br)C=2Br)C(=O)N1CCN1C(=O)C2=C(C(Br)=C(Br)C(Br)=C2Br)C1=O,3.8750612633917,"1,2-Bis(tetrabromophthalimido)ethane"
O=C1C2C(=C(C=CC=2NC(=O)C2C=CC=CC=2)NC2=CC=C(NC(=O)C3C=CC=CC=3)C3=C2C(=O)C2=CC=CC=C2C3=O)C(=O)C2=CC=CC=C12,10001.0,0.0,1.0,2.0,667.6770000000004,42.0,6.0,O=C1C2C(=C(C=CC=2NC(=O)C2C=CC=CC=2)NC2=CC=C(NC(=O)C3C=CC=CC=3)C3=C2C(=O)C2=CC=CC=C2C3=O)C(=O)C2=CC=CC=C12,4.000043427276863,"Benzamide, N,N'-[iminobis(9,10-dihydro-9,10-dioxo-4,1-anthracenediyl)]bis-"
O=C1C2C(=NC3=CC=CC=C3C2=O)C(=O)C2C1=NC1=CC=CC=C1C2=O,3500.0,4.0,3.0,0.0,342.31000000000006,20.0,4.0,O=C1C2C(=NC3=CC=CC=C3C2=O)C(=O)C2C1=NC1=CC=CC=C1C2=O,3.5440680443502757,"Quino[2,3-b]acridine-6,7,13,14(5H,12H)-tetrone"
O=C1C2C(C3CC2C(Br)C3Br)C(=O)N1CCN1C(=O)C2C(C3CC2C(Br)C3Br)C1=O,10000.0,3.0,2.0,1.0,672.0060000000003,20.0,4.0,O=C1C2C(C3CC2C(Br)C3Br)C(=O)N1CCN1C(=O)C2C(C3CC2C(Br)C3Br)C1=O,4.0,"N,N'-(Ethylene)bis[4,5-dibromohexahydro-3,6-methanophthalimide]"
O=C1C2C3NC4C5=C(C=CC=4C=3C=CC=2C(=O)C2=CC=CC=C12)C(=O)C1C2NC3C4=C(C=CC=3C=2C=CC=1C5=O)C(=O)C1=CC=CC=C1C4=O,10000.0,1.0,1.0,2.0,646.614,42.0,6.0,O=C1C2C3NC4C5=C(C=CC=4C=3C=CC=2C(=O)C2=CC=CC=C12)C(=O)C1C2NC3C4=C(C=CC=3C=2C=CC=1C5=O)C(=O)C1=CC=CC=C1C4=O,4.0,"Dinaphtho[2,3-i:2',3'-i']benzo[1,2-a:4,5-a']dicarbazole-5,7,12,17,19,24(6H,18H)-hexone"
O=C1C2C3NC4C=CC5=C(C=4C=3C=CC=2C(=O)C2=CC=CC=C12)C(=O)C1=CC=C2C3=C1C5=CC=C3N1N=C3C4=C1C2=CC=C4C(=O)C1=CC=CC=C13,10001.0,0.0,1.0,2.0,665.6640000000001,45.0,4.0,O=C1C2C3NC4C=CC5=C(C=4C=3C=CC=2C(=O)C2=CC=CC=C12)C(=O)C1=CC=C2C3=C1C5=CC=C3N1N=C3C4=C1C2=CC=C4C(=O)C1=CC=CC=C13,4.000043427276863,"1H-Benz[6,7]indazolo[2,3,4-fgh]naphth[2'',3'':6',7']indolo[3',2':5,6]anthra[2,1,9-mna]acridine-2,7,10,15-tetrone"
O=C1C2C3NC4C=CC5=C(C=4NC=3C=CC=2C(=O)C2=CC=CC=C12)C(=O)C1C=CC=CC=1C5=O,3500.0,3.0,1.0,0.0,442.4300000000002,28.0,4.0,O=C1C2C3NC4C=CC5=C(C=4NC=3C=CC=2C(=O)C2=CC=CC=C12)C(=O)C1C=CC=CC=1C5=O,3.5440680443502757,Vat Blue 4
O=C1C2C=C(C=CC=2C(=O)N1CC1=CN=CC=C1)N(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1,3500.0,3.0,1.0,1.0,474.3470000000002,26.0,2.0,O=C1C2C=C(C=CC=2C(=O)N1CC1=CN=CC=C1)N(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1,3.5440680443502757,"1H-Isoindole-1,3(2H)-dione, 5-(bis(4-chlorophenyl)amino)-2-(3-pyridinylmethyl)-"
O=C1C2C=C3NC4C=CC(Cl)=CC=4C(=O)C3=CC=2NC2C=CC(Cl)=CC1=2,6876.0,4.0,1.0,0.0,381.2180000000001,20.0,2.0,O=C1C2C=C3NC4C=CC(Cl)=CC=4C(=O)C3=CC=2NC2C=CC(Cl)=CC1=2,3.837335868015015,"Quino[2,3-b]acridine-7,14-dione, 2,9-dichloro-5,12-dihydro-"
O=C1C2C=C3NC4C=CC=CC=4C(=O)C3=CC=2NC2C=CC=CC1=2,6876.0,4.0,2.0,0.0,312.32800000000003,20.0,2.0,O=C1C2C=C3NC4C=CC=CC=4C(=O)C3=CC=2NC2C=CC=CC1=2,3.837335868015015,Quinacridone
O=C1C2C=CC3=C4C=2C(=CC=C4C(=O)N2C3=NC3=CC=CC=C23)C2=NC3=CC=CC=C3N12,3500.0,4.0,1.0,0.0,412.4080000000002,26.0,2.0,O=C1C2C=CC3=C4C=2C(=CC=C4C(=O)N2C3=NC3=CC=CC=C23)C2=NC3=CC=CC=C3N12,3.5440680443502757,C.I. Pigment Orange 43
O=C1C2C=CC3CCC4=CC=C(C=2C=34)C(=O)C1(Cl)Cl,10001.0,4.0,3.0,0.0,291.13300000000004,15.0,2.0,O=C1C2C=CC3CCC4=CC=C(C=2C=34)C(=O)C1(Cl)Cl,4.000043427276863,Chlorketone
O=C1C2C=CC=C3C=CC=C(C4=NC5C=CC=C6C=CC=C(C6=5)N41)C3=2,7500.0,4.0,2.0,0.0,320.35100000000006,22.0,1.0,O=C1C2C=CC=C3C=CC=C(C4=NC5C=CC=C6C=CC=C(C6=5)N41)C3=2,3.8750612633917,"14H-Benz[4,5]isoquino[2,1-a]perimidin-14-one"
O=C1C2C=CC=CC=2C(=O)C(Cl)=C1Cl,588.0,3.0,2.0,0.0,227.046,10.0,2.0,O=C1C2C=CC=CC=2C(=O)C(Cl)=C1Cl,2.7693773260761385,Dichlone
O=C1C2C=CC=CC=2C(=O)C2C=CC=CC1=2,4001.0,4.0,2.0,0.0,208.216,14.0,2.0,O=C1C2C=CC=CC=2C(=O)C2C=CC=CC1=2,3.6021685513789974,Anthraquinone
O=C1C2C=CC=CC=2C(=O)N1CC1CO1,4700.0,4.0,2.0,0.0,203.19699999999995,11.0,3.0,O=C1C2C=CC=CC=2C(=O)N1CC1CO1,3.6720978579357175,"1H-Isoindole-1,3(2H)-dione, 2-(2-oxiranylmethyl)-"
O=C1C2C=CC=CC=2C(=O)N1SC(Cl)(Cl)Cl,3465.0,4.0,3.0,0.0,296.562,9.0,2.0,O=C1C2C=CC=CC=2C(=O)N1SC(Cl)(Cl)Cl,3.5397032389478253,Folpet
O=C1C2C=CC=CC=2C(=O)N1SC1CCCCC1,4160.0,4.0,3.0,0.0,261.34599999999995,14.0,2.0,O=C1C2C=CC=CC=2C(=O)N1SC1CCCCC1,3.6190933306267428,N-(Cyclohexylthio)phthalimide
O=C1C2C=CC=CC=2CN2C(=O)C3=CC=CC=C3CN21,10000.0,4.0,3.0,0.0,264.28399999999993,16.0,2.0,O=C1C2C=CC=CC=2CN2C(=O)C3=CC=CC=C3CN21,4.0,Diftalone
O=C1C2C=CC=CC=2NC(=O)N1CCCl,3500.0,4.0,2.0,0.0,224.6469999999999,10.0,2.0,O=C1C2C=CC=CC=2NC(=O)N1CCCl,3.5440680443502757,"3-(2-Chloroethyl)quinazoline-2,4(1H,3H)-dione"
O=C1C2C=CC=CC=2NC1=O,2751.0,1.0,2.0,0.0,147.13299999999995,8.0,2.0,O=C1C2C=CC=CC=2NC1=O,3.4394905903896835,Isatin
O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)C(Cl)Cl,2500.0,4.0,2.0,0.0,349.0659999999999,10.0,2.0,O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)C(Cl)Cl,3.3979400086720375,Captafol
O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)Cl,7625.0,4.0,3.0,0.0,300.59399999999994,9.0,2.0,O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)Cl,3.8822398480188234,Captan
O=C1C2CCCC2=NC(=O)N1C1CCCCC1,10001.0,4.0,2.0,0.0,234.29899999999992,13.0,2.0,O=C1C2CCCC2=NC(=O)N1C1CCCCC1,4.000043427276863,Lenacil
O=C1C2CCCCC2C(=O)N1CCCCN1CCN(CC1)C1=NSC2C=CC=CC=21,870.0,4.0,2.0,0.0,426.5860000000001,23.0,2.0,O=C1C2CCCCC2C(=O)N1CCCCN1CCN(CC1)C1=NSC2C=CC=CC=21,2.9395192526186187,Perospirone hydrochloride
O=C1C2CCCCC=2C(=O)N1C1C=CC(Cl)=CC=1,10001.0,4.0,3.0,0.0,261.708,14.0,2.0,O=C1C2CCCCC=2C(=O)N1C1C=CC(Cl)=CC=1,4.000043427276863,
O=C1C2N=CC=CC=2C2=CC=CN=C2C1=O,5.0,4.0,2.0,0.0,210.192,12.0,2.0,O=C1C2N=CC=CC=2C2=CC=CN=C2C1=O,0.6989700043360189,Phanquinone
O=C1C=C2C=CC3CC2(O1)C1CCCCN13,800.0,4.0,2.0,0.0,217.26799999999992,13.0,2.0,O=C1C=C2C=CC3CC2(O1)C1CCCCN13,2.9030899869919438,Securinine
O=C1C=CC(=O)C2C=CC=CC1=2,155.0,2.0,2.0,0.0,158.156,10.0,2.0,O=C1C=CC(=O)C2C=CC=CC1=2,2.1903316981702914,"1,4-Naphthoquinone"
O=C1C=CC(=O)C=C1,77.0,1.0,2.0,0.0,108.096,6.0,2.0,O=C1C=CC(=O)C=C1,1.8864907251724818,"1,4-Benzoquinone"
O=C1C=CC(=O)N1C1=CC(=CC=C1)N1C(=O)C=CC1=O,1370.0,4.0,3.0,0.0,268.228,14.0,4.0,O=C1C=CC(=O)N1C1=CC(=CC=C1)N1C(=O)C=CC1=O,3.1367205671564067,"N,N'-1,3-Phenylenedimaleimide"
O=C1C=CC(=O)N1C1=CC=CC=C1Cl,520.0,4.0,2.0,0.0,207.616,10.0,2.0,O=C1C=CC(=O)N1C1=CC=CC=C1Cl,2.716003343634799,"1-(2-Chlorophenyl)-1H-pyrrole-2,5-dione"
O=C1C=CC(=O)N1C1C=CC(CC2C=CC(=CC=2)N2C(=O)C=CC2=O)=CC=1,4001.0,4.0,2.0,0.0,358.35300000000007,21.0,4.0,O=C1C=CC(=O)N1C1C=CC(CC2C=CC(=CC=2)N2C(=O)C=CC2=O)=CC=1,3.6021685513789974,Bismaleimide
O=C1C=CC(=O)N1C1C=CC(Cl)=CC=1,440.0,4.0,2.0,0.0,207.616,10.0,2.0,O=C1C=CC(=O)N1C1C=CC(Cl)=CC=1,2.6434526764861874,"Maleimide, N-(p-chlorophenyl)-"
O=C1C=CC(=O)N1C1C=CC=CC=1,144.0,4.0,2.0,0.0,173.17100000000002,10.0,2.0,O=C1C=CC(=O)N1C1C=CC=CC=1,2.1583624920952498,"1-Phenyl-1H-pyrrole-2,5-dione"
O=C1C=CC(=O)N1C1CCCCC1,130.0,4.0,2.0,0.0,179.21899999999997,10.0,2.0,O=C1C=CC(=O)N1C1CCCCC1,2.113943352306837,"1H-Pyrrole-2,5-dione, 1-cyclohexyl-"
O=C1C=CC(=O)N1CCCCCCN1C(=O)C=CC1=O,550.0,4.0,3.0,0.0,276.29200000000003,14.0,4.0,O=C1C=CC(=O)N1CCCCCCN1C(=O)C=CC1=O,2.7403626894942437,"1H-Pyrrole-2,5-dione, 1,1'-(1,6-hexanediyl)bis-"
O=C1C=CC(=O)NN1,3875.0,0.0,2.0,0.0,112.088,4.0,2.0,O=C1C=CC(=O)NN1,3.588271706842329,Maleic hydrazide
O=C1C=CC(=O)O1,1012.0,1.0,2.0,0.0,98.057,4.0,3.0,O=C1C=CC(=O)O1,3.0051805125037805,"2,5-Furandione"
O=C1C=CC(C=C1)=NCl,100.0,1.0,2.0,0.0,141.55700000000002,6.0,1.0,O=C1C=CC(C=C1)=NCl,2.0,"2,5-Cyclohexadien-1-one, 4-(chloroimino)-"
O=C1C=CC2C=CC=CC=2O1,406.0,2.0,2.0,0.0,146.14499999999998,9.0,2.0,O=C1C=CC2C=CC=CC=2O1,2.6085260335771943,Coumarin
O=C1CC(=O)CCC1,4775.0,1.0,2.0,0.0,112.128,6.0,2.0,O=C1CC(=O)CCC1,3.678973375919765,"1,3-Cyclohexanedione"
O=C1CC(=O)N(C2C=CC=CC=2)N1C1C=CC=CC=1,1000.0,4.0,3.0,0.0,252.273,15.0,2.0,O=C1CC(=O)N(C2C=CC=CC=2)N1C1C=CC=CC=1,3.0,"2,5-PYRAZOLIDINDIONE,1,2-DIPHENYL"
O=C1CC(=O)NC(=S)N1,7500.0,0.0,2.0,0.0,144.155,4.0,2.0,O=C1CC(=O)NC(=S)N1,3.8750612633917,"4,6(1H,5H)-Pyrimidinedione, dihydro-2-thioxo-"
O=C1CC(C2C=C(Br)C=CC=2O1)C1C=CC=CC=1,2751.0,4.0,2.0,0.0,303.15500000000003,15.0,2.0,O=C1CC(C2C=C(Br)C=CC=2O1)C1C=CC=CC=1,3.4394905903896835,6-bromo-4-phenylchroman-2-one
O=C1CC(NC2C=CC(Cl)=CC=2Cl)=NN1C1C(Cl)=CC(Cl)=CC=1Cl,3200.0,3.0,1.0,1.0,423.5140000000001,15.0,1.0,O=C1CC(NC2C=CC(Cl)=CC=2Cl)=NN1C1C(Cl)=CC(Cl)=CC=1Cl,3.505149978319906,"3H-Pyrazol-3-one, 5-[(2,4-dichlorophenyl)amino]-2,4-dihydro-2-(2,4,6-trichlorophenyl)-"
O=C1CC2(CC(=O)N1CCCCN1CCN(CC1)C1N=CC=CN=1)CCCC2,196.0,4.0,2.0,0.0,385.5120000000001,21.0,2.0,O=C1CC2(CC(=O)N1CCCCN1CCN(CC1)C1N=CC=CN=1)CCCC2,2.292256071356476,Buspirone
O=C1CC2=CC(CCCl)=C(Cl)C=C2N1,3500.0,4.0,2.0,0.0,230.094,10.0,1.0,O=C1CC2=CC(CCCl)=C(Cl)C=C2N1,3.5440680443502757,"6-Chloro-5-(2-chloroethyl)-1,3-dihydro-2H-indol-2-one"
O=C1CC2=CC=CC=C2O1,2751.0,1.0,2.0,0.0,134.13399999999996,8.0,2.0,O=C1CC2=CC=CC=C2O1,3.4394905903896835,(3H)-Benzofuran-2-one
O=C1CC2OCC=C3CN4CCC56C(C2C3CC54)N1C1C=CC=CC6=1,11.1,4.0,3.0,0.0,334.41900000000004,21.0,2.0,O=C1CC2OCC=C3CN4CCC56C(C2C3CC54)N1C1C=CC=CC6=1,1.0453229787866574,Strychnine
O=C1CCC(=O)N1,10001.0,0.0,2.0,0.0,99.089,4.0,2.0,O=C1CCC(=O)N1,4.000043427276863,Succinimide
O=C1CCC(=O)N1Br,2751.0,2.0,2.0,0.0,177.985,4.0,2.0,O=C1CCC(=O)N1Br,3.4394905903896835,"1-Bromopyrrolidine-2,5-dione"
O=C1CCC(=O)N1Cl,1252.0,1.0,2.0,0.0,133.534,4.0,2.0,O=C1CCC(=O)N1Cl,3.097604328874411,N-Chlorosuccinimide
O=C1CCC(=O)N=N1,3900.0,1.0,2.0,0.0,112.088,4.0,2.0,O=C1CCC(=O)N=N1,3.591064607026499,"Maleic hydrazide, potassium salt"
O=C1CCC(=O)O1,1652.7,1.0,2.0,0.0,100.073,4.0,3.0,O=C1CCC(=O)O1,3.218194027092984,Succinic anhydride
O=C1CCC(C(=O)N1)N1C(=O)C2=CC=CC=C2C1=O,113.0,4.0,3.0,0.0,258.23299999999995,13.0,4.0,O=C1CCC(C(=O)N1)N1C(=O)C2=CC=CC=C2C1=O,2.0530784434834195,Thalidomide
O=C1CCC(N=N1)C1C=CC(=CC=1)N1C=NC=C1,125.0,4.0,2.0,0.0,240.266,13.0,1.0,O=C1CCC(N=N1)C1C=CC(=CC=1)N1C=NC=C1,2.0969100130080562,Imazodan
O=C1CCC2=CC(=CC=C2N1)OCCCCC1=NN=NN1C1CCCCC1,7500.0,4.0,2.0,0.0,369.4690000000002,20.0,2.0,O=C1CCC2=CC(=CC=C2N1)OCCCCC1=NN=NN1C1CCCCC1,3.8750612633917,Cilostazol
O=C1CCC2C=C(C=CC=2N1)C(=O)CCCN1CCN(CC1)C1C=CC=CC=1,500.0,4.0,2.0,0.0,377.48800000000006,23.0,2.0,O=C1CCC2C=C(C=CC=2N1)C(=O)CCCN1CCN(CC1)C1C=CC=CC=1,2.6989700043360187,"2(1H)-Quinolinone, 3,4-dihydro-6-(1-oxo-4-(4-phenyl-1-piperazinyl)butyl)-, monohydrochloride"
O=C1CCC2C=C(CCCCN3CCN(CC3)C3=CC=CC=C3Cl)C=CC=2N1,500.0,4.0,1.0,0.0,397.9500000000001,23.0,1.0,O=C1CCC2C=C(CCCCN3CCN(CC3)C3=CC=CC=C3Cl)C=CC=2N1,2.6989700043360187,"2(1H)-Quinolinone, 3,4-dihydro-6-(4-(4-(2-chlorophenyl)-1-piperazinyl)butyl)-"
O=C1CCC2C=C(CCCN3CCN(CC3)C3C=CC=CC=3)C=CC=2N1,500.0,4.0,3.0,0.0,349.47800000000007,22.0,1.0,O=C1CCC2C=C(CCCN3CCN(CC3)C3C=CC=CC=3)C=CC=2N1,2.6989700043360187,"2(1H)-Quinolinone, 3,4-dihydro-6-(3-(4-phenyl-1-piperazinyl)propyl)-"
O=C1CCC2C=CC=C3CCN1C=23,321.0,4.0,2.0,0.0,173.21499999999995,11.0,1.0,O=C1CCC2C=CC=C3CCN1C=23,2.506505032404872,Pyroquilon
O=C1CCC2C=CC=CC=2O1,1460.0,2.0,2.0,0.0,148.16099999999997,9.0,2.0,O=C1CCC2C=CC=CC=2O1,3.164352855784437,"3,4-Dihydrocoumarin"
O=C1CCC2CCCCC2O1,3900.0,3.0,2.0,0.0,154.209,9.0,2.0,O=C1CCC2CCCCC2O1,3.591064607026499,Octahydro-2H-1-benzopyran-2-one
O=C1CCCC(=O)O1,924.0,1.0,2.0,0.0,114.1,5.0,3.0,O=C1CCCC(=O)O1,2.9656719712201065,Glutaric anhydride
O=C1CCCC1,2980.0,1.0,2.0,0.0,84.11800000000001,5.0,1.0,O=C1CCCC1,3.4742162640762553,Cyclopentanone
O=C1CCCC=C1,220.0,1.0,2.0,0.0,96.12900000000002,6.0,1.0,O=C1CCCC=C1,2.342422680822206,2-Cyclohexen-1-one
O=C1CCCC=CCCCCCCCCCC1,3500.0,4.0,1.0,1.0,236.3989999999999,16.0,1.0,O=C1CCCC=CCCCCCCCCCC1,3.5440680443502757,5-Cyclohexadecen-1-one
O=C1CCCCC(=O)OCCOCCO1,3500.0,4.0,2.0,0.0,216.23299999999995,10.0,5.0,O=C1CCCCC(=O)OCCOCCO1,3.5440680443502757,"2,3,7,8-Tetrahydro-2,5,8-benzotrioxacycloundecine-1,9-dione"
O=C1CCCCC1,2270.0,1.0,2.0,0.0,98.145,6.0,1.0,O=C1CCCCC1,3.3560258571931225,Cyclohexanone
O=C1CCCCC1C1CCCCC1,7500.0,4.0,2.0,0.0,180.2909999999999,12.0,1.0,O=C1CCCCC1C1CCCCC1,3.8750612633917,"1,1'-Bi(cyclohexyl)-2-one"
O=C1CCCCCC=CCCCCCCCCO1,339.0,4.0,2.0,0.0,252.39799999999988,16.0,2.0,O=C1CCCCCC=CCCCCCCCCO1,2.530199698203082,Musk
O=C1CCCCCCCC=CCCCCCCO1,7500.0,4.0,2.0,0.0,252.3979999999999,16.0,2.0,O=C1CCCCCCCC=CCCCCCCO1,3.8750612633917,Oxacycloheptadec-10-en-2-one
O=C1CCCCCCCCCCC1,3750.0,4.0,1.0,0.0,182.30699999999996,12.0,1.0,O=C1CCCCCCCCCCC1,3.574031267727719,Cyclododecanone
O=C1CCCCCCCCCCC=CCC1,3500.0,4.0,1.0,0.0,222.3719999999999,15.0,1.0,O=C1CCCCCCCCCCC=CCC1,3.5440680443502757,(4Z)-Cyclopentadec-4-en-1-one
O=C1CCCCCCCCCCCC(=O)OCCO1,7500.0,4.0,3.0,0.0,270.3689999999999,15.0,4.0,O=C1CCCCCCCCCCCC(=O)OCCO1,3.8750612633917,"1,4-Dioxacycloheptadecane-5,17-dione"
O=C1CCCCCCCCCCCCCC1,7500.0,4.0,1.0,1.0,224.38799999999992,15.0,1.0,O=C1CCCCCCCCCCCCCC1,3.8750612633917,Cyclopentadecanone
O=C1CCCCCCCCCCCCCCCO1,7500.0,4.0,2.0,1.0,254.4139999999999,16.0,2.0,O=C1CCCCCCCCCCCCCCCO1,3.8750612633917,Oxacycloheptadecan-2-one
O=C1CCCCCCCCCCCCCCO1,7500.0,4.0,1.0,0.0,240.38699999999992,15.0,2.0,O=C1CCCCCCCCCCCCCCO1,3.8750612633917,Pentadecan-15-olide
O=C1CCCCCCCCCCCN1,2429.0,4.0,2.0,0.0,197.32199999999995,12.0,1.0,O=C1CCCCCCCCCCCN1,3.3854275148051305,"Azacyclotridecan-2-one, sodium salt (1:1)"
O=C1CCCCCCCCCCOCCCCO1,7500.0,4.0,2.0,0.0,256.3859999999999,15.0,3.0,O=C1CCCCCCCCCCOCCCCO1,3.8750612633917,12-Oxahexadecanolide
O=C1CCCCCCCCCOCCCCCO1,7500.0,4.0,2.0,0.0,256.3859999999999,15.0,3.0,O=C1CCCCCCCCCOCCCCCO1,3.8750612633917,"1,7-Dioxacycloheptadecan-8-one"
O=C1CCCCCN1,1356.0,1.0,2.0,0.0,113.16,6.0,1.0,O=C1CCCCCN1,3.1322596895310446,Sodium caprolactamate
O=C1CCCCCN1C(=O)NC1C=CC(CC2C=CC(=CC=2)NC(=O)N2CCCCCC2=O)=CC=1,2751.0,3.0,1.0,1.0,476.57700000000034,27.0,4.0,O=C1CCCCCN1C(=O)NC1C=CC(CC2C=CC(=CC=2)NC(=O)N2CCCCCC2=O)=CC=1,3.4394905903896835,"1H-Azepine-1-carboxamide, N,N'-(methylenedi-4,1-phenylene)bis[hexahydro-2-oxo-"
O=C1CCCCCN1C(=O)NCCCCCCNC(=O)N1CCCCCC1=O,2751.0,4.0,2.0,0.0,394.51600000000025,20.0,4.0,O=C1CCCCCN1C(=O)NCCCCCCNC(=O)N1CCCCCC1=O,3.4394905903896835,"1H-Azepine-1-carboxamide, N,N'-1,6-hexanediylbis[hexahydro-2-oxo-"
O=C1CCCCCN1SSN1CCCCCC1=O,2751.0,4.0,3.0,0.0,288.43800000000005,12.0,2.0,O=C1CCCCCN1SSN1CCCCCC1=O,3.4394905903896835,"1,1'-Disulfanediyldiazepan-2-one"
O=C1CCCCCO1,3984.0,1.0,2.0,0.0,114.144,6.0,2.0,O=C1CCCCCO1,3.600319329751661,2-Oxepanone
O=C1CCCCO1,3500.0,1.0,2.0,0.0,100.117,5.0,2.0,O=C1CCCCO1,3.5440680443502757,Tetrahydro-2H-pyran-2-one
O=C1CCCN1,7622.0,1.0,2.0,0.0,85.10600000000001,4.0,1.0,O=C1CCCN1,3.8820689444361483,2-Pyrrolidinone
O=C1CCCN1C1CCCCC1,370.0,4.0,2.0,0.0,167.25199999999998,10.0,1.0,O=C1CCCN1C1CCCCC1,2.568201724066995,1-Cyclohexylpyrrolidin-2-one
O=C1CCCO1,1747.0,1.0,2.0,0.0,86.09,4.0,2.0,O=C1CCCO1,3.2422929049829308,4-Butyrolactone
O=C1CCN(CC2C=CC=CC=2)CC1,1150.0,4.0,2.0,0.0,189.258,12.0,1.0,O=C1CCN(CC2C=CC=CC=2)CC1,3.060697840353612,1-Benzyl-4-piperidone
O=C1CCN(N1)C1C=CC=CC=1,331.0,4.0,2.0,0.0,162.192,9.0,1.0,O=C1CCN(N1)C1C=CC=CC=1,2.519827993775719,"3-Pyrazolidinone,1-phenyl-"
O=C1CCO1,75.0,1.0,2.0,0.0,72.063,3.0,2.0,O=C1CCO1,1.8750612633917,beta-Propiolactone
O=C1CCOC2=CC=CC=C21,2647.0,2.0,2.0,0.0,148.16099999999997,9.0,2.0,O=C1CCOC2=CC=CC=C21,3.422753941301348,"4H-1-Benzopyran-4-one, 2,3-dihydro-"
O=C1CN2CCC1CC2,2400.0,2.0,2.0,0.0,125.171,7.0,1.0,O=C1CN2CCC1CC2,3.380211241711606,"1-Azabicyclo[2.2.2]octan-3-one, hydrochloride"
O=C1CN2CCOC2(C2C=C(Cl)C=CC=2N1)C1C=CC=CC=1Cl,1780.0,4.0,3.0,0.0,349.21700000000004,17.0,2.0,O=C1CN2CCOC2(C2C=C(Cl)C=CC=2N1)C1C=CC=CC=1Cl,3.250420002308894,Cloxazolam
O=C1CN=C(C2=CC(Cl)=CC=C2N1CC1CC1)C1C=CC=CC=1,4000.0,4.0,2.0,0.0,324.8110000000001,19.0,1.0,O=C1CN=C(C2=CC(Cl)=CC=C2N1CC1CC1)C1C=CC=CC=1,3.6020599913279625,Prazepam
O=C1CN=C(C2=CC=CC=C2Cl)C2C=C(Cl)C=CC=2N1,3500.0,4.0,2.0,0.0,305.164,15.0,1.0,O=C1CN=C(C2=CC=CC=C2Cl)C2C=C(Cl)C=CC=2N1,3.5440680443502757,Delorazepam
O=C1CN=C(C2=CC=CC=N2)C2C=C(Br)C=CC=2N1,1950.0,4.0,3.0,0.0,316.15799999999996,14.0,1.0,O=C1CN=C(C2=CC=CC=N2)C2C=C(Br)C=CC=2N1,3.290034611362518,Bromazepam
O=C1CNC(=S)N1,420.0,0.0,2.0,0.0,116.145,3.0,1.0,O=C1CNC(=S)N1,2.6232492903979003,"4-Imidazolidinone, 2-thioxo-"
O=C1COC(=O)CO1,3500.0,0.0,2.0,0.0,116.072,4.0,4.0,O=C1COC(=O)CO1,3.5440680443502757,"1,4-Dioxane-2,5-dione"
O=C1CSC(=S)N1,320.0,1.0,2.0,0.0,133.197,3.0,1.0,O=C1CSC(=S)N1,2.505149978319906,Rhodanine
O=C1CSC2(CCN(CCCN3C4C=CC=CC=4SC4C=CC(Cl)=CC3=4)CC2)N1,3800.0,4.0,1.0,0.0,446.0410000000001,22.0,1.0,O=C1CSC2(CCN(CCCN3C4C=CC=CC=4SC4C=CC(Cl)=CC3=4)CC2)N1,3.57978359661681,Spiclomazine
O=C1CSC2N=CC=CC=2N1,1050.0,3.0,2.0,0.0,166.205,7.0,1.0,O=C1CSC2N=CC=CC=2N1,3.0211892990699383,Abbott 29590
O=C1N(C2C=C(CN=C=O)C=CC=2)C(=O)N1C1C=C(CN=C=O)C=CC=1,3750.0,4.0,3.0,0.0,348.31800000000004,18.0,4.0,O=C1N(C2C=C(CN=C=O)C=CC=2)C(=O)N1C1C=C(CN=C=O)C=CC=1,3.574031267727719,"1,3-Diazetidine-2,4-dione, 1,3-bis(3-isocyanatomethylphenyl)-"
O=C1N(CC(Br)CBr)C(=O)N(CC(Br)CBr)C(=O)N1CC(Br)CBr,10001.0,3.0,1.0,1.0,728.6939999999998,12.0,3.0,O=C1N(CC(Br)CBr)C(=O)N(CC(Br)CBr)C(=O)N1CC(Br)CBr,4.000043427276863,"1,3,5-Tris(2,3-dibromopropyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione"
O=C1N(CC2CO2)C(=O)N(CC2CO2)C(=O)N1CC1CO1,376.0,3.0,3.0,0.0,297.267,12.0,6.0,O=C1N(CC2CO2)C(=O)N(CC2CO2)C(=O)N1CC1CO1,2.575187844927661,Triglycidyl isocyanurate
O=C1N(Cl)C(=O)N(Cl)C(=O)N1Cl,713.0,2.0,2.0,0.0,232.41,3.0,3.0,O=C1N(Cl)C(=O)N(Cl)C(=O)N1Cl,2.8530895298518657,Symclosene
O=C1N(Cl)C(=O)NC(=O)N1Cl,1418.25,1.0,2.0,0.0,197.965,3.0,3.0,O=C1N(Cl)C(=O)NC(=O)N1Cl,3.15175279223674,Sodium dichloroisocyanurate
O=C1N(Cl)C2C(N(Cl)C(=O)N2Cl)N1Cl,2150.0,3.0,3.0,0.0,279.898,4.0,2.0,O=C1N(Cl)C2C(N(Cl)C(=O)N2Cl)N1Cl,3.3324384599156054,
O=C1N2C=CC=CC2=NN1CCCN1CCN(CC1)C1=CC(Cl)=CC=C1,690.0,4.0,2.0,0.0,371.8720000000001,19.0,1.0,O=C1N2C=CC=CC2=NN1CCCN1CCN(CC1)C1=CC(Cl)=CC=C1,2.838849090737255,Trazodone hydrochloride
O=C1N=C(C2C1=C(NC2=O)C1C=CC(=CC=1)C1C=CC=CC=1)C1C=CC(=CC=1)C1C=CC=CC=1,2376.0,3.0,1.0,1.0,440.5020000000001,30.0,2.0,O=C1N=C(C2C1=C(NC2=O)C1C=CC(=CC=1)C1C=CC=CC=1)C1C=CC(=CC=1)C1C=CC=CC=1,3.375846436309156,"3,6-bis({[1,1'-biphenyl]-4-yl})-1H,2H,4H,5H-pyrrolo[3,4-c]pyrrole-1,4-dione"
O=C1N=C(C2C1=C(NC2=O)C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1,7500.0,4.0,2.0,0.0,357.1960000000001,18.0,2.0,O=C1N=C(C2C1=C(NC2=O)C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1,3.8750612633917,Pigment Red 254
O=C1N=C(C2C1=C(NC2=O)C1C=CC=CC=1)C1C=CC=CC=1,6251.0,4.0,3.0,0.0,288.306,18.0,2.0,O=C1N=C(C2C1=C(NC2=O)C1C=CC=CC=1)C1C=CC=CC=1,3.7959494989028033,"Pyrrolo[3,4-c]pyrrole-1,4-dione, 2,5-dihydro-3,6-diphenyl-"
O=C1N=C2C3=CC=CC=C3N=CN2C1=CC1C=CC=CC=1,325.0,4.0,3.0,0.0,273.29499999999996,17.0,1.0,O=C1N=C2C3=CC=CC=C3N=CN2C1=CC1C=CC=CC=1,2.5118833609788744,
O=C1N=CCC(=O)O1,850.0,1.0,2.0,0.0,113.072,4.0,3.0,O=C1N=CCC(=O)O1,2.929418925714293,3-Oxauracil
O=C1N=CNC2NC(=O)N=C12,1759.0,0.0,2.0,0.0,152.113,5.0,2.0,O=C1N=CNC2NC(=O)N=C12,3.245265839457461,"1H-Purine-6,8-dione, 7,9-dihydro-"
O=C1N=NC(CO1)C1C=CC=CC=1,441.0,4.0,2.0,0.0,176.17499999999995,9.0,2.0,O=C1N=NC(CO1)C1C=CC=CC=1,2.6444385894678386,"2H-1,3,4-Oxadiazin-2-one, 3,6-dihydro-5-phenyl-"
O=C1N=NCC2=CC=CC=C21,370.0,1.0,2.0,0.0,146.14899999999997,8.0,1.0,O=C1N=NCC2=CC=CC=C21,2.568201724066995,1(2H)-Phthalazinone
O=C1N=NNC2C=CC=CC=21,595.0,2.0,2.0,0.0,147.13699999999997,7.0,1.0,O=C1N=NNC2C=CC=CC=21,2.7745169657285498,"1,2,3-Benzotriazin-4(1H)-one"
O=C1NC(=O)C(=O)C(=O)N1,5210.0,0.0,2.0,0.0,142.07,4.0,4.0,O=C1NC(=O)C(=O)C(=O)N1,3.7168377232995247,"2,4,5,6(1H,3H)-Pyrimidinetetrone, monohydrate"
O=C1NC(=O)C(C2=NC(=C3C(=O)NC(=O)NC3=O)C3C=CC=CC=32)C(=O)N1,10000.0,3.0,2.0,0.0,367.2770000000001,16.0,6.0,O=C1NC(=O)C(C2=NC(=C3C(=O)NC(=O)NC3=O)C3C=CC=CC=32)C(=O)N1,4.0,"2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5'-(1H-isoindole-1,3(2H)-diylidene)bis-"
O=C1NC(=O)C(N1)(C1C=CC=CC=1)C1C=CC=CC=1,1409.5,4.0,3.0,0.0,252.273,15.0,2.0,O=C1NC(=O)C(N1)(C1C=CC=CC=1)C1C=CC=CC=1,3.149065080207621,"5,5-Diphenylhydantoin"
O=C1NC(=O)C2=CC=C3C4=C2C1=CC=C4C1=CC=C2C4=C1C3=CC=C4C(=O)NC2=O,10000.0,4.0,1.0,0.0,390.35400000000016,24.0,4.0,O=C1NC(=O)C2=CC=C3C4=C2C1=CC=C4C1=CC=C2C4=C1C3=CC=C4C(=O)NC2=O,4.0,Pigment Violet 29
O=C1NC(=O)C2=CC=CC3C=CC=C1C=32,8125.0,4.0,2.0,0.0,197.193,12.0,2.0,O=C1NC(=O)C2=CC=CC3C=CC=C1C=32,3.909823369650912,"1H-Benzo[de]isoquinoline-1,3(2H)-dione"
O=C1NC(=O)C2C=CC3=C4C=2C1=CC=C4C1=CC=CC2C=CC=C3C=21,2751.0,4.0,2.0,0.0,321.3350000000001,22.0,2.0,O=C1NC(=O)C2C=CC3=C4C=2C1=CC=C4C1=CC=CC2C=CC=C3C=21,3.4394905903896835,"Perylene-3,4-dicarboximide"
O=C1NC(=O)C2C=CC=CC1=2,4501.0,1.0,2.0,0.0,147.13299999999998,8.0,2.0,O=C1NC(=O)C2C=CC=CC1=2,3.653309012938479,Phthalimide
O=C1NC(=O)C2CC=CCC12,6251.0,2.0,2.0,0.0,151.16499999999996,8.0,2.0,O=C1NC(=O)C2CC=CCC12,3.7959494989028033,"1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-, sodium salt"
O=C1NC(=O)C2NC(=O)N=C2N1,5000.0,1.0,2.0,0.0,168.112,5.0,3.0,O=C1NC(=O)C2NC(=O)N=C2N1,3.6989700043360187,Sodium urate
O=C1NC(=O)CC(=O)N1,4501.0,0.0,2.0,0.0,128.087,4.0,3.0,O=C1NC(=O)CC(=O)N1,3.653309012938479,Sodium barbiturate
O=C1NC(=O)CC=N1,6000.0,1.0,2.0,0.0,112.088,4.0,2.0,O=C1NC(=O)CC=N1,3.7781512503836434,Uracil
O=C1NC(=O)N=CC1F,230.0,1.0,2.0,0.0,130.078,4.0,2.0,O=C1NC(=O)N=CC1F,2.361727836017593,5-Fluorouracil
O=C1NC(=O)N=CC1N(CCCl)CCCl,3.55,4.0,3.0,0.0,252.101,8.0,2.0,O=C1NC(=O)N=CC1N(CCCl)CCCl,0.5502283530550941,Uracil mustard
O=C1NC(=O)NC(=O)N1,6251.0,0.0,2.0,0.0,129.075,3.0,3.0,O=C1NC(=O)NC(=O)N1,3.7959494989028033,"1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, trisodium salt"
O=C1NC(=O)OC2=CC=CC=C12,750.0,3.0,2.0,0.0,163.13199999999998,8.0,3.0,O=C1NC(=O)OC2=CC=CC=C12,2.8750612633917,Carsalam
O=C1NC(CCCl)OC2C=CC=CC=21,10000.0,4.0,2.0,0.0,211.648,10.0,2.0,O=C1NC(CCCl)OC2C=CC=CC=21,4.0,
O=C1NC(CCl)=NC2SC3CCCCC=3C=21,9000.0,4.0,3.0,0.0,254.74199999999996,11.0,1.0,O=C1NC(CCl)=NC2SC3CCCCC=3C=21,3.9542425094393248,"2-Chloromethyl-5,6,7,8-tetrahydrobenzo(b)thieno(2,3-d)pyrimidin-4(3H)-one"
O=C1NC(Cl)=NC(Cl)=N1,3500.0,2.0,2.0,0.0,165.967,3.0,1.0,O=C1NC(Cl)=NC(Cl)=N1,3.5440680443502757,"2,4-Dichloro-6-hydroxy-s-triazine sodium salt)"
O=C1NC2=C(O1)C(Cl)=CC(Cl)=C2Cl,500.0,3.0,2.0,0.0,238.457,7.0,2.0,O=C1NC2=C(O1)C(Cl)=CC(Cl)=C2Cl,2.6989700043360187,"2-Benzoxazolinone, 4,5,7-trichloro-"
O=C1NC2=CC(Cl)=C(Br)C=C2O1,500.0,3.0,2.0,0.0,248.46299999999997,7.0,2.0,O=C1NC2=CC(Cl)=C(Br)C=C2O1,2.6989700043360187,Bromchlorenone
O=C1NC2=CC(Cl)=CC=C2O1,763.0,3.0,2.0,0.0,169.56699999999998,7.0,2.0,O=C1NC2=CC(Cl)=CC=C2O1,2.8825245379548803,Chlorzoxazone
O=C1NC2=CC=CC=C2N1C1CCN(CC=1)CCCC(=O)C1C=CC(F)=CC=1,750.0,4.0,1.0,0.0,379.4350000000002,22.0,2.0,O=C1NC2=CC=CC=C2N1C1CCN(CC=1)CCCC(=O)C1C=CC(F)=CC=1,2.8750612633917,Droperidol
O=C1NC2=CC=CC=C2N1CCCCl,1037.0,4.0,2.0,0.0,210.66399999999993,10.0,1.0,O=C1NC2=CC=CC=C2N1CCCCl,3.015778756389041,"1-(3-Chloropropyl)-1,3-dihydro-2H-benzimidazol-2-one"
O=C1NC2=CC=CC=C2N1CCCN1CCC(CC1)N1C2=CC=CC=C2NC1=O,8000.0,4.0,2.0,0.0,391.4750000000001,22.0,2.0,O=C1NC2=CC=CC=C2N1CCCN1CCC(CC1)N1C2=CC=CC=C2NC1=O,3.9030899869919438,"2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-(4-(2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-1-piperidinyl)propyl)-"
O=C1NC2C=C(Cl)C=CC=2N1C1CCN(CCCN2C3C=CC=CC=3NC2=O)CC1,5243.0,4.0,2.0,0.0,425.9200000000002,22.0,2.0,O=C1NC2C=C(Cl)C=CC=2N1C1CCN(CCCN2C3C=CC=CC=3NC2=O)CC1,3.719579857713723,Domperidone
O=C1NC2C=C(Cl)C=CC=2N1C1CCNCC1,1150.0,4.0,3.0,0.0,251.71699999999996,12.0,1.0,O=C1NC2C=C(Cl)C=CC=2N1C1CCNCC1,3.060697840353612,5-Chloro-1-(4-piperidyl)-1H-benzimidazol-2(3H)-one
O=C1NC2C=CC(=CC=2O1)C(=O)C1C=CC=CC=1,3500.0,4.0,2.0,0.0,239.23,14.0,3.0,O=C1NC2C=CC(=CC=2O1)C(=O)C1C=CC=CC=1,3.5440680443502757,6-Benzoyl benzoxazolinone
O=C1NC2C=CC(Br)=CC=2O1,1000.0,3.0,2.0,0.0,214.01799999999997,7.0,2.0,O=C1NC2C=CC(Br)=CC=2O1,3.0,"2-Benzoxazolinone, 6-bromo-"
O=C1NC2C=CC(Cl)=CC=2O1,1200.0,3.0,2.0,0.0,169.56699999999998,7.0,2.0,O=C1NC2C=CC(Cl)=CC=2O1,3.0791812460476247,"6-Chloro-2,3-dihydrobenzoxazol-2-one"
O=C1NC2C=CC=CC=2N1C1CCN(CCCC(C2C=CC(F)=CC=2)C2C=CC(F)=CC=2)CC1,1100.0,2.0,1.0,1.0,461.5560000000001,28.0,1.0,O=C1NC2C=CC=CC=2N1C1CCN(CCCC(C2C=CC(F)=CC=2)C2C=CC(F)=CC=2)CC1,3.041392685158225,Pimozide
O=C1NC2C=CC=CC=2N1CCCN1CCN(CC1)C(C1C=CC=CC=1)C1C=CC=CC=1,1410.0,4.0,1.0,0.0,426.5640000000001,27.0,1.0,O=C1NC2C=CC=CC=2N1CCCN1CCN(CC1)C(C1C=CC=CC=1)C1C=CC=CC=1,3.1492191126553797,Oxatomide
O=C1NC2C=CC=CC=2O1,700.0,1.0,2.0,0.0,135.12199999999996,7.0,2.0,O=C1NC2C=CC=CC=2O1,2.845098040014257,2-Benzoxazolinone
O=C1NC2NC(=O)NC2N1,2000.0,0.0,2.0,0.0,142.118,4.0,2.0,O=C1NC2NC(=O)NC2N1,3.3010299956639813,Glycoluril
O=C1NC=NC2C=CC=CC=21,300.0,2.0,2.0,0.0,146.14899999999997,8.0,1.0,O=C1NC=NC2C=CC=CC=21,2.4771212547196626,4-Hydroxyquinazoline
O=C1NCC2(CCN(CCC3C=CC=CC=3)CC2)O1,708.5,4.0,3.0,0.0,260.337,15.0,2.0,O=C1NCC2(CCN(CCC3C=CC=CC=3)CC2)O1,2.850339854583479,Fenspiride
O=C1NCCCN1,6400.0,1.0,2.0,0.0,100.121,4.0,1.0,O=C1NCCCN1,3.806179973983887,Tetrahydro-2-pyrimidinone
O=C1NCCN1,5010.0,0.0,2.0,0.0,86.09400000000001,3.0,1.0,O=C1NCCN1,3.699837725867246,Ethylene urea
O=C1NCN(C2C=CC=CC=2)C21CCN(CCCC(=O)C1C=CC(F)=CC=1)CC2,1000.0,4.0,2.0,0.0,395.47800000000007,23.0,2.0,O=C1NCN(C2C=CC=CC=2)C21CCN(CCCC(=O)C1C=CC(F)=CC=1)CC2,3.0,Spiperone
O=C1NS(=O)(=O)C2=CC=CC=C12,9044.0,3.0,2.0,0.0,183.188,7.0,3.0,O=C1NS(=O)(=O)C2=CC=CC=C12,3.956360553673322,Sodium saccharin hydrate
O=C1NS(=O)(=O)C2C=CC=CC1=2,10001.0,3.0,2.0,0.0,183.188,7.0,3.0,O=C1NS(=O)(=O)C2C=CC=CC1=2,4.000043427276863,Saccharin
O=C1NSC2C=C(Cl)C=CC=21,4300.0,3.0,2.0,0.0,185.635,7.0,1.0,O=C1NSC2C=C(Cl)C=CC=21,3.6334684555795866,Ticlatone
O=C1NSC2C=CC=CC=21,755.0,2.0,2.0,0.0,151.18999999999997,7.0,1.0,O=C1NSC2C=CC=CC=21,2.8779469516291885,"1,2-Benzisothiazolin-3-one"
O=C1OC(=NC2=CC=CC=C12)C1C=CC(=CC=1)C1=NC2=CC=CC=C2C(=O)O1,7500.0,4.0,1.0,0.0,368.348,22.0,4.0,O=C1OC(=NC2=CC=CC=C12)C1C=CC(=CC=1)C1=NC2=CC=CC=C2C(=O)O1,3.8750612633917,CERAPP_36716
O=C1OC(=NC2=CC=CC=C12)C1C=CC=CC=1NS(=O)(=O)C1C=C2C=CC=CC2=CC=1,3500.0,4.0,1.0,0.0,428.4690000000001,24.0,4.0,O=C1OC(=NC2=CC=CC=C12)C1C=CC=CC=1NS(=O)(=O)C1C=C2C=CC=CC2=CC=1,3.5440680443502757,"2-Naphthalenesulfonamide, N-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-"
O=C1OC(=O)C2=CC(=CC=C12)C(=O)Cl,2956.0,3.0,2.0,0.0,210.57199999999995,9.0,4.0,O=C1OC(=O)C2=CC(=CC=C12)C(=O)Cl,3.470704429722788,"5-Isobenzofurancarbonyl chloride, 1,3-dihydro-1,3-dioxo-"
O=C1OC(=O)C2=CC3=C(C=C12)C(=O)OC3=O,2250.0,2.0,2.0,0.0,218.11999999999995,10.0,6.0,O=C1OC(=O)C2=CC3=C(C=C12)C(=O)OC3=O,3.3521825181113627,"1H,3H-Benzo(1,2-c:4,5-c')difuran-1,3,5,7-tetrone"
O=C1OC(=O)C2C(Cl)=CC=CC1=2,3500.0,3.0,2.0,0.0,182.562,8.0,3.0,O=C1OC(=O)C2C(Cl)=CC=CC1=2,3.5440680443502757,3-Chlorophthalic anhydride
O=C1OC(=O)C2C1=C(Br)C(Br)=C(Br)C=2Br,10000.0,3.0,1.0,0.0,463.7010000000001,8.0,3.0,O=C1OC(=O)C2C1=C(Br)C(Br)=C(Br)C=2Br,4.0,Tetrabromophthalic anhydride
O=C1OC(=O)C2C1=C(Cl)C(Cl)=C(Cl)C=2Cl,10001.0,3.0,2.0,0.0,285.897,8.0,3.0,O=C1OC(=O)C2C1=C(Cl)C(Cl)=C(Cl)C=2Cl,4.000043427276863,Tetrachlorophthalic anhydride
O=C1OC(=O)C2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl,2336.0,4.0,2.0,0.0,370.8299999999999,9.0,3.0,O=C1OC(=O)C2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl,3.3684728384403617,Chlorendic anhydride
O=C1OC(=O)C2C=C(C=CC1=2)C(=O)OCCOC(=O)C1=CC2=C(C=C1)C(=O)OC2=O,3500.0,4.0,2.0,0.0,410.2900000000002,20.0,10.0,O=C1OC(=O)C2C=C(C=CC1=2)C(=O)OCCOC(=O)C1=CC2=C(C=C1)C(=O)OC2=O,3.5440680443502757,"Ethylene bis(1,3-dihydro-1,3-dioxoisobenzofuran-5-carboxylate)"
O=C1OC(=O)C2C=C(C=CC1=2)C1=CC2=C(C=C1)C(=O)OC2=O,3500.0,4.0,3.0,0.0,294.218,16.0,6.0,O=C1OC(=O)C2C=C(C=CC1=2)C1=CC2=C(C=C1)C(=O)OC2=O,3.5440680443502757,"5,5'-Bi-2-benzofuran-1,1',3,3'-tetrone"
O=C1OC(=O)C2C=C(C=CC1=2)OC1=CC2=C(C=C1)C(=O)OC2=O,7500.0,4.0,3.0,0.0,310.21700000000004,16.0,7.0,O=C1OC(=O)C2C=C(C=CC1=2)OC1=CC2=C(C=C1)C(=O)OC2=O,3.8750612633917,"5,5'-Oxybis(2-benzofuran-1,3-dione)"
O=C1OC(=O)C2C=C(Cl)C=CC1=2,3500.0,3.0,2.0,0.0,182.562,8.0,3.0,O=C1OC(=O)C2C=C(Cl)C=CC1=2,3.5440680443502757,4-Chlorophthalic anhydride
O=C1OC(=O)C2C=CC3=C4C=2C1=CC=C4C(=O)OC3=O,7400.0,4.0,3.0,0.0,268.17999999999995,14.0,6.0,O=C1OC(=O)C2C=CC3=C4C=2C1=CC=C4C(=O)OC3=O,3.8692317197309762,"Naphthalene-1,8:4,5-tetracarboxylic dianhydride"
O=C1OC(=O)C2C=CC3=C4C=2C1=CC=C4C1C=CC2=C4C=1C3=CC=C4C(=O)OC2=O,10000.0,4.0,1.0,0.0,392.3220000000002,24.0,6.0,O=C1OC(=O)C2C=CC3=C4C=2C1=CC=C4C1C=CC2=C4C=1C3=CC=C4C(=O)OC2=O,4.0,"Perylo[3,4-cd:9,10-c'd']dipyran-1,3,8,10-tetrone"
O=C1OC(=O)C2C=CC=C3C(Cl)=CC=C1C=23,3460.0,4.0,2.0,0.0,232.622,12.0,3.0,O=C1OC(=O)C2C=CC=C3C(Cl)=CC=C1C=23,3.5390760987927767,4-Chloronapthalic anhydride
O=C1OC(=O)C2C=CC=C3C=CC=C1C3=2,10001.0,4.0,2.0,0.0,198.17699999999996,12.0,3.0,O=C1OC(=O)C2C=CC=C3C=CC=C1C3=2,4.000043427276863,"1H,3H-Naphtho(1,8-cd)pyran-1,3-dione"
O=C1OC(=O)C2C=CC=CC1=2,3385.0,1.0,2.0,0.0,148.11699999999996,8.0,3.0,O=C1OC(=O)C2C=CC=CC1=2,3.529558673021163,Phthalic anhydride
O=C1OC(=O)C2CC=CCC12,4305.0,1.0,2.0,0.0,152.14899999999997,8.0,3.0,O=C1OC(=O)C2CC=CCC12,3.6339731557896737,Tetrahydrophthalic anhydride
O=C1OC(=O)C2CCCCC12,3395.0,2.0,2.0,0.0,154.165,8.0,3.0,O=C1OC(=O)C2CCCCC12,3.5308397786165204,Hexahydrophthalic anhydride
O=C1OC(=O)NC2C=CC=CC1=2,5075.0,3.0,2.0,0.0,163.13199999999995,8.0,3.0,O=C1OC(=O)NC2C=CC=CC1=2,3.7054360465852505,"2H-3,1-Benzoxazine-2,4(1H)-dione"
O=C1OC(CC21CC(CN1CCOCC1)OC2=O)CN1CCOCC1,3000.0,3.0,2.0,0.0,354.40300000000013,17.0,6.0,O=C1OC(CC21CC(CN1CCOCC1)OC2=O)CN1CCOCC1,3.4771212547196626,
O=C1OC(CCN2CCCCC2)OC1(C1C=CC=CC=1)C1C=CC=CC=1,1500.0,4.0,1.0,0.0,351.446,22.0,3.0,O=C1OC(CCN2CCCCC2)OC1(C1C=CC=CC=1)C1C=CC=CC=1,3.1760912590556813,Pipoxolan hydrochloride
O=C1OC(OC2OC(=O)C(Cl)=C2Cl)C(Cl)=C1Cl,3500.0,3.0,3.0,0.0,319.91100000000006,8.0,5.0,O=C1OC(OC2OC(=O)C(Cl)=C2Cl)C(Cl)=C1Cl,3.5440680443502757,"5,5'-Oxybis[3,4-dichloro-2(5H)-furanone]"
O=C1OC2=CC3=C(C4C=CC(=CC=4)OCC4CCCO4)C(=O)OC3=CC2=C1C1C=CC=CC=1,7500.0,4.0,2.0,0.0,440.4510000000003,27.0,6.0,O=C1OC2=CC3=C(C4C=CC(=CC=4)OCC4CCCO4)C(=O)OC3=CC2=C1C1C=CC=CC=1,3.8750612633917,"3-{4-[(Oxolan-2-yl)methoxy]phenyl}-7-phenylbenzo[1,2-b:4,5-b']difuran-2,6-dione"
O=C1OC2C=C(Cl)C=CC=2N1CCl,2350.0,3.0,2.0,0.0,218.039,8.0,2.0,O=C1OC2C=C(Cl)C=CC=2N1CCl,3.3710678622717363,"2(3H)-Benzoxazolone, 6-chloro-3-(chloromethyl)-"
O=C1OC2C=CC=CC=2C(=O)C1CC1C(=O)C2C=CC=CC=2OC1=O,250.0,4.0,3.0,0.0,336.29900000000004,19.0,6.0,O=C1OC2C=CC=CC=2C(=O)C1CC1C(=O)C2C=CC=CC=2OC1=O,2.3979400086720375,Dicumarol
O=C1OC=CO1,338.0,1.0,2.0,0.0,86.04599999999999,3.0,3.0,O=C1OC=CO1,2.5289167002776547,"1,3-Dioxol-2-one"
O=C1OCC(CCl)O1,80.0,1.0,2.0,0.0,136.534,4.0,3.0,O=C1OCC(CCl)O1,1.9030899869919435,"1,3-Dioxolan-2-one, 4-(chloromethyl)-"
O=C1OCC(F)O1,500.0,1.0,2.0,0.0,106.052,3.0,3.0,O=C1OCC(F)O1,2.6989700043360187,"1,3-Dioxolan-2-one, 4-fluoro-"
O=C1OCC2=C1C(Cl)=C(Cl)C(Cl)=C2Cl,10001.0,3.0,2.0,0.0,271.91400000000004,8.0,2.0,O=C1OCC2=C1C(Cl)=C(Cl)C(Cl)=C2Cl,4.000043427276863,Fthalide
O=C1OCC2=CC=CC=C21,5600.0,1.0,2.0,0.0,134.13399999999996,8.0,2.0,O=C1OCC2=CC=CC=C21,3.7481880270062002,Phthalide
O=C1OCC2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl,105.0,4.0,1.0,0.0,356.847,9.0,2.0,O=C1OCC2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl,2.0211892990699383,Endosulfan lactone
O=C1OCCO1,10000.0,1.0,2.0,0.0,88.062,3.0,3.0,O=C1OCCO1,4.0,"1,3-Dioxolan-2-one"
O=C1SC2C=CC(Cl)=CC=2N1CC(=O)N1CCNCC1,734.0,4.0,3.0,0.0,311.7940000000001,13.0,2.0,O=C1SC2C=CC(Cl)=CC=2N1CC(=O)N1CCNCC1,2.8656960599160706,Rhc 3281
O=C=NC1=CC(=C(Cl)C=C1)C(F)(F)F,500.0,3.0,2.0,0.0,221.5649999999999,8.0,1.0,O=C=NC1=CC(=C(Cl)C=C1)C(F)(F)F,2.6989700043360187,4-Chloro-3-(trifluoromethyl)phenyl isocyanate
O=C=NC1=CC(Cl)=C(Cl)C=C1,208.0,3.0,2.0,0.0,188.013,7.0,1.0,O=C=NC1=CC(Cl)=C(Cl)C=C1,2.3180633349627615,"3,4-Dichlorophenyl isocyanate"
O=C=NC1=CC=CC2=CC=CC=C21,2751.0,4.0,2.0,0.0,169.18299999999996,11.0,1.0,O=C=NC1=CC=CC2=CC=CC=C21,3.4394905903896835,1-Isocyanatonaphthalene
O=C=NC1C=C(C=CC=1)C(F)(F)F,3790.0,2.0,2.0,0.0,187.11999999999995,8.0,1.0,O=C=NC1C=C(C=CC=1)C(F)(F)F,3.578639209968072,1-Isocyanato-3-(trifluoromethyl)benzene
O=C=NC1C=C(Cl)C=C(Cl)C=1,7000.0,3.0,2.0,0.0,188.013,7.0,1.0,O=C=NC1C=C(Cl)C=C(Cl)C=1,3.845098040014257,"3,5-Dichlorophenyl isocyanate"
O=C=NC1C=CC(=CC=1)C(C1C=CC(=CC=1)N=C=O)C1C=CC(=CC=1)N=C=O,540.0,4.0,1.0,0.0,367.3640000000001,22.0,3.0,O=C=NC1C=CC(=CC=1)C(C1C=CC(=CC=1)N=C=O)C1C=CC(=CC=1)N=C=O,2.7323937598229686,"Benzene, 1,1',1''-methylidynetris[4-isocyanato-"
O=C=NC1C=CC(=CC=1)OC(F)(F)F,1767.0,3.0,2.0,0.0,203.11899999999991,8.0,2.0,O=C=NC1C=CC(=CC=1)OC(F)(F)F,3.247236549506764,4-(Trifluoromethoxy)phenyl isocyanate
O=C=NC1C=CC(=CC=1)OP(=S)(OC1C=CC(=CC=1)N=C=O)OC1C=CC(=CC=1)N=C=O,1338.0,4.0,0.0,1.0,465.38300000000015,21.0,6.0,O=C=NC1C=CC(=CC=1)OP(=S)(OC1C=CC(=CC=1)N=C=O)OC1C=CC(=CC=1)N=C=O,3.1264561134318045,"Phenol, 4-isocyanato-, phosphorothioate (3:1) (ester)"
O=C=NC1C=CC(Br)=CC=1,3200.0,3.0,2.0,0.0,198.019,7.0,1.0,O=C=NC1C=CC(Br)=CC=1,3.505149978319906,p-Bromophenyl isocyanate
O=C=NC1C=CC(CC2C=CC(=CC=2)N=C=O)=CC=1,9200.0,4.0,3.0,0.0,250.257,15.0,2.0,O=C=NC1C=CC(CC2C=CC(=CC=2)N=C=O)=CC=1,3.963787827345555,"4,4'-Diphenylmethane diisocyanate"
O=C=NC1C=CC(Cl)=CC=1,1882.0,1.0,2.0,0.0,153.56799999999998,7.0,1.0,O=C=NC1C=CC(Cl)=CC=1,3.274619619091238,4-Chlorophenyl isocyanate
O=C=NC1C=CC=C(Cl)C=1,4200.0,1.0,2.0,0.0,153.56799999999998,7.0,1.0,O=C=NC1C=CC=C(Cl)C=1,3.6232492903979003,m-Chlorophenyl isocyanate
O=C=NC1C=CC=C2C(=CC=CC=12)N=C=O,7500.0,4.0,2.0,0.0,210.19199999999995,12.0,2.0,O=C=NC1C=CC=C2C(=CC=CC=12)N=C=O,3.8750612633917,"1,5-Naphthalene diisocyanate"
O=C=NC1C=CC=CC=1,870.0,1.0,2.0,0.0,119.12299999999996,7.0,1.0,O=C=NC1C=CC=CC=1,2.9395192526186187,Phenyl isocyanate
O=C=NC1C=CC=CC=1Cl,3500.0,1.0,2.0,0.0,153.56799999999996,7.0,1.0,O=C=NC1C=CC=CC=1Cl,3.5440680443502757,"Benzene, 1-chloro-2-isocyanato-"
O=C=NC1CCC(CC2CCC(CC2)N=C=O)CC1,7691.0,4.0,3.0,0.0,262.35299999999995,15.0,2.0,O=C=NC1CCC(CC2CCC(CC2)N=C=O)CC1,3.8859828113549733,"1,1-Methylenebis(4-isocyanatocyclohexane)"
O=C=NC1CCCCC1,504.0,2.0,2.0,0.0,125.171,7.0,1.0,O=C=NC1CCCCC1,2.7024305364455254,Isocyanatocyclohexane
O=C=NCC1C=C(CN=C=O)C=CC=1,3738.0,4.0,2.0,0.0,188.18599999999995,10.0,2.0,O=C=NCC1C=C(CN=C=O)C=CC=1,3.572639297042813,"1,3-Bis(isocyanatomethyl)benzene"
O=C=NCC1C=CC(CN=C=O)=CC=1,4500.0,4.0,2.0,0.0,188.186,10.0,2.0,O=C=NCC1C=CC(CN=C=O)=CC=1,3.6532125137753435,"Isocyanic acid, p-xylylene ester"
O=C=NCC1CCC(CN=C=O)CC1,1600.0,4.0,2.0,0.0,194.23399999999995,10.0,2.0,O=C=NCC1CCC(CN=C=O)CC1,3.2041199826559246,"1,4-Bis(isocyanatomethyl)cyclohexane"
O=C=NCCCCCCN=C=O,849.0,4.0,2.0,0.0,168.196,8.0,2.0,O=C=NCCCCCCN=C=O,2.928907690243953,"1,6-Diisocyanatohexane"
O=C=NS(=O)(=O)Cl,710.0,1.0,2.0,0.0,141.535,1.0,3.0,O=C=NS(=O)(=O)Cl,2.8512583487190755,Sulfuryl chloride isocyanate
O=CC(Br)(Br)Br,100.0,2.0,3.0,0.0,280.741,2.0,1.0,O=CC(Br)(Br)Br,2.0,Tribromoacetaldehyde
O=CC(Cl)(Cl)Cl,480.0,1.0,2.0,0.0,147.388,2.0,1.0,O=CC(Cl)(Cl)Cl,2.681241237375587,Chloral
O=CC12CC=CCC1C1CC=CCC1O2,2188.0,4.0,2.0,0.0,204.26899999999995,13.0,2.0,O=CC12CC=CCC1C1CC=CCC1O2,3.340047317661393,"2,3:4,5-Bis(2-butylene)tetrahydro-2-furaldehyde"
O=CC1=CC(=CC=C1)OC1C=CC=CC=1,1222.0,4.0,2.0,0.0,198.221,13.0,2.0,O=CC1=CC(=CC=C1)OC1C=CC=CC=1,3.0870712059065353,3-Phenoxybenzaldehyde
O=CC1=CC=CC=N1,585.0,1.0,2.0,0.0,107.11199999999998,6.0,1.0,O=CC1=CC=CC=N1,2.7671558660821804,2-Pyridinecarboxaldehyde
O=CC1=CC=CO1,106.0,1.0,2.0,0.0,96.08499999999998,5.0,2.0,O=CC1=CC=CO1,2.0253058652647704,Furfural
O=CC1=CC=CS1,915.0,1.0,2.0,0.0,112.153,5.0,1.0,O=CC1=CC=CS1,2.9614210940664485,Thiophene-2-carbaldehyde
O=CC1C=C2OCOC2=CC=1,2700.0,1.0,2.0,0.0,150.13299999999995,8.0,3.0,O=CC1C=C2OCOC2=CC=1,3.4313637641589874,Piperonal
O=CC1C=CC(=CC=1)C1C=CC=CC=1,1127.375,4.0,2.0,0.0,182.222,13.0,1.0,O=CC1C=CC(=CC=1)C1C=CC=CC=1,3.05206839993385,"[1,1'-Biphenyl]-4-carboxaldehyde"
O=CC1C=CC(Cl)=CC=1,1142.0,1.0,2.0,0.0,140.569,7.0,1.0,O=CC1C=CC(Cl)=CC=1,3.0576661039098294,4-Chlorobenzaldehyde
O=CC1C=CC=C(Br)C=1,1126.0,2.0,2.0,0.0,185.02,7.0,1.0,O=CC1C=CC=C(Br)C=1,3.0515383905153275,3-Bromobenzaldehyde
O=CC1C=CC=C2C=CC=CC2=1,667.0,3.0,2.0,0.0,156.18399999999997,11.0,1.0,O=CC1C=CC=C2C=CC=CC2=1,2.824125833916549,1-Naphthaldehyde
O=CC1C=CC=CC=1,1364.0,1.0,2.0,0.0,106.12399999999997,7.0,1.0,O=CC1C=CC=CC=1,3.13481437032046,Benzaldehyde
O=CC1C=CC=CC=1Cl,2531.0,1.0,2.0,0.0,140.56899999999996,7.0,1.0,O=CC1C=CC=CC=1Cl,3.4032921451582543,2-Chlorobenzaldehyde
O=CC1C=CN=CC=1,2355.0,1.0,2.0,0.0,107.11199999999998,6.0,1.0,O=CC1C=CN=CC=1,3.371990911464915,4-Pyridinecarboxaldehyde
O=CC1CCC=CO1,4920.0,1.0,2.0,0.0,112.128,6.0,2.0,O=CC1CCC=CO1,3.69196510276736,"3,4-Dihydro-2H-pyran-2-carbaldehyde"
O=CC1CO1,850.0,0.0,2.0,0.0,72.063,3.0,2.0,O=CC1CO1,2.929418925714293,Glycidaldehyde
O=CC1COCC1,1414.0,1.0,2.0,0.0,100.117,5.0,2.0,O=CC1COCC1,3.150449409460881,"3-Furancarboxaldehyde, tetrahydro-"
O=CC=CC1=CC=CO1,860.0,1.0,2.0,0.0,122.12299999999998,7.0,2.0,O=CC=CC1=CC=CO1,2.934498451243568,3-(2-Furyl)acrolein
O=CC=CC1C=CC=CC=1,2220.0,2.0,2.0,0.0,132.16199999999998,9.0,1.0,O=CC=CC1C=CC=CC=1,3.346352974450639,3-Phenylprop-2-enal
O=CC=O,3235.5,0.0,2.0,0.0,58.036,2.0,2.0,O=CC=O,3.5099414041582264,Glyoxal
O=CCC1C=CC=CC=1,1550.0,1.0,2.0,0.0,120.15099999999995,8.0,1.0,O=CCC1C=CC=CC=1,3.1903316981702914,Phenylacetaldehyde
O=CCC1CC2CC1C1CCCC21,500.0,4.0,2.0,0.0,178.27499999999995,12.0,1.0,O=CCC1CC2CC1C1CCCC21,2.6989700043360187,"4,7-Methano-1H-indene-5-acetaldehyde, octahydro-"
O=CCC=O,824.0,1.0,2.0,0.0,72.063,3.0,2.0,O=CCC=O,2.9159272116971158,"Malonaldehyde, sodium salt"
O=CCCC1C=CC=CC=1,7500.0,3.0,2.0,0.0,134.17799999999997,9.0,1.0,O=CCCC1C=CC=CC=1,3.8750612633917,3-Phenylpropanal
O=CCCC=C1CC2CC1C1CCCC12,7500.0,4.0,2.0,0.0,204.31299999999996,14.0,1.0,O=CCCC=C1CC2CC1C1CCCC12,3.8750612633917,"4-(Octahydro-5H-4,7-methanoinden-5-ylidene)butanal"
O=CCCCC=O,336.0,1.0,2.0,0.0,100.117,5.0,2.0,O=CCCCC=O,2.526339277389844,Glutaraldehyde
O=CCCl,111.0,1.0,2.0,0.0,78.49799999999999,2.0,1.0,O=CCCl,2.0453229787866576,Chloroacetaldehyde
O=CN(C1CC1)C1=NC=NC2=C1N=CN2C1CC1,175.0,4.0,2.0,0.0,243.26999999999995,12.0,1.0,O=CN(C1CC1)C1=NC=NC2=C1N=CN2C1CC1,2.2430380486862944,"Formamide, N-cyclopropyl-N-(9-cyclopropyl-9H-purin-6-yl)-"
O=CN1CCOCC1,7446.0,0.0,2.0,0.0,115.132,5.0,2.0,O=CN1CCOCC1,3.8719230318823734,4-Morpholinecarboxaldehyde
O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,9750.0,4.0,2.0,0.0,434.9660000000001,10.0,2.0,O=CNC(N1CCN(CC1)C(NC=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,3.989004615698537,Triforine
O=CNC(NC1C=CC(Cl)=C(Cl)C=1)C(Cl)(Cl)Cl,2500.0,4.0,2.0,0.0,336.433,9.0,1.0,O=CNC(NC1C=CC(Cl)=C(Cl)C=1)C(Cl)(Cl)Cl,3.3979400086720375,Chloraniformethane
O=COC1CC2CCCCC2CC1,7500.0,4.0,2.0,0.0,182.263,11.0,2.0,O=COC1CC2CCCCC2CC1,3.8750612633917,"2-Naphthalenol, decahydro-, 2-formate"
O=COCC1C=CC=CC=1,1400.0,1.0,2.0,0.0,136.14999999999998,8.0,2.0,O=COCC1C=CC=CC=1,3.146128035678238,"Formic acid, phenylmethyl ester"
O=COCC=CC1C=CC=CC=1,2900.0,4.0,2.0,0.0,162.188,10.0,2.0,O=COCC=CC1C=CC=CC=1,3.462397997898956,CERAPP_26660
O=COCCC1C=CC=CC=1,3220.0,3.0,2.0,0.0,150.177,9.0,2.0,O=COCCC1C=CC=CC=1,3.507855871695831,"Formic acid, 2-phenylethyl ester"
O=COCCCC1C=CC=CC=1,4090.0,4.0,2.0,0.0,164.204,10.0,2.0,O=COCCCC1C=CC=CC=1,3.611723308007342,CERAPP_26659
O=COCCOC=O,1510.0,0.0,2.0,0.0,118.08799999999998,4.0,4.0,O=COCCOC=O,3.1789769472931693,"1,2-Ethanediol, 1,2-diformate"
O=NC1C=CC(=CC=1)N=O,1020.0,1.0,2.0,0.0,136.11,6.0,2.0,O=NC1C=CC(=CC=1)N=O,3.0086001717619175,"Benzene, 1,4-dinitroso-"
O=NC1C=CC(C=C1)N=O,464.0,1.0,2.0,0.0,138.126,6.0,2.0,O=NC1C=CC(C=C1)N=O,2.6665179805548807,p-Benzoquinone dioxime
O=NC1CCCCC1,1286.0,1.0,2.0,0.0,113.16,6.0,1.0,O=NC1CCCCC1,3.109240968588203,Cyclohexanone oxime
O=NCCN=O,119.0,1.0,2.0,0.0,88.06599999999999,2.0,2.0,O=NCCN=O,2.0755469613925306,Glyoxime
O=NN(C1C=CC=CC=1)C1C=CC=CC=1,1825.0,4.0,1.0,0.0,198.225,12.0,1.0,O=NN(C1C=CC=CC=1)C1C=CC=CC=1,3.2612628687924934,N-Nitrosodiphenylamine
O=NN(C1CCCCC1)C1CCCCC1,7500.0,4.0,1.0,0.0,210.32099999999997,12.0,1.0,O=NN(C1CCCCC1)C1CCCCC1,3.8750612633917,N-Nitrosodicyclohexylamine
O=NN(CC(F)(F)F)CC(F)(F)F,300.0,2.0,2.0,0.0,210.07699999999997,4.0,1.0,O=NN(CC(F)(F)F)CC(F)(F)F,2.4771212547196626,"N-Nitrosobis(2,2,2-trifluoroethyl) amine"
O=NN(CCCC(F)(F)F)CCCC(F)(F)F,750.0,4.0,2.0,0.0,266.18499999999995,8.0,1.0,O=NN(CCCC(F)(F)F)CCCC(F)(F)F,2.8750612633917,"N-Nitroso-bis-(4,4,4-trifluoro-N-butyl)amine"
O=NN(CCCl)C(=O)NC1CCCCC1,70.0,4.0,2.0,0.0,233.69899999999996,9.0,2.0,O=NN(CCCl)C(=O)NC1CCCCC1,1.845098040014257,Lomustine
O=NN(CCCl)C(=O)NCCCl,20.0,4.0,2.0,0.0,214.052,5.0,2.0,O=NN(CCCl)C(=O)NCCCl,1.3010299956639813,Carmustine
O=NN(CCF)C(=O)NC1CCCCC1,18.5,4.0,2.0,0.0,217.24399999999991,9.0,2.0,O=NN(CCF)C(=O)NC1CCCCC1,1.2671717284030137,1-(2-Fluoroethyl)-3-cyclohexyl-1-nitrosourea
O=NN1CC=CCO1,900.0,1.0,2.0,0.0,114.10399999999998,4.0,2.0,O=NN1CC=CCO1,2.9542425094393248,"3,6-Dihydro-2-nitroso-2H-1,2-oxazine"
O=NN1CCCC1,900.0,1.0,2.0,0.0,100.121,4.0,1.0,O=NN1CCCC1,2.9542425094393248,N-Nitrosopyrrolidine
O=NN1CCCCC1,200.0,1.0,2.0,0.0,114.148,5.0,1.0,O=NN1CCCCC1,2.3010299956639813,N-Nitrosopiperidine
O=NN1CCCCCC1,336.0,2.0,2.0,0.0,128.175,6.0,1.0,O=NN1CCCCCC1,2.526339277389844,N-Nitrosohexamethyleneimine
O=NN1CCCCCCC1,283.0,3.0,2.0,0.0,142.202,7.0,1.0,O=NN1CCCCCCC1,2.45178643552429,Nitrosoheptamethyleneimine
O=NN1CCCCO1,830.0,1.0,2.0,0.0,116.12,4.0,2.0,O=NN1CCCCO1,2.9190780923760737,"Tetrahydro-2-nitroso-2H-1,2-oxazine"
O=NN1CCN(CC1)N=O,160.0,1.0,2.0,0.0,144.134,4.0,2.0,O=NN1CCN(CC1)N=O,2.2041199826559246,Dinitrosopiperazine
O=NN1CCNCC1,2260.0,0.0,2.0,0.0,115.136,4.0,1.0,O=NN1CCNCC1,3.3541084391474008,N-Nitrosopiperazine
O=NN1CCOCC1,282.0,1.0,2.0,0.0,116.12,4.0,2.0,O=NN1CCOCC1,2.450249108319361,N-Nitrosomorpholine
O=NN1CN(CN(C1)N=O)N=O,160.0,2.0,2.0,0.0,174.11999999999998,3.0,3.0,O=NN1CN(CN(C1)N=O)N=O,2.2041199826559246,Trinitrosotrimethylenetriamine
O=NN1CN2CN(CN(C2)N=O)C1,940.0,3.0,2.0,0.0,186.175,5.0,2.0,O=NN1CN2CN(CN(C2)N=O)C1,2.9731278535996988,"N,N-Dinitrosopentamethylenetetramine"
O=NN1COCC1,1500.0,1.0,2.0,0.0,102.093,3.0,2.0,O=NN1COCC1,3.1760912590556813,"N-Nitroso-1,3-oxazolidine"
O=P(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1,685.0,4.0,3.0,0.0,278.291,18.0,1.0,O=P(C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1,2.8356905714924254,Triphenylphosphine oxide
O=P(CCCl)(OCCCl)OCCCl,880.0,4.0,2.0,0.0,269.49199999999996,6.0,3.0,O=P(CCCl)(OCCCl)OCCCl,2.9444826721501687,"Phosphonic acid, (2-chloroethyl)-, bis(2-chloroethyl) ester"
O=P(Cl)(Cl)OC1C=CC=CC=1,843.0,3.0,1.0,0.0,210.98400000000004,6.0,2.0,O=P(Cl)(Cl)OC1C=CC=CC=1,2.9258275746247424,Phenyl phosphorodichloridate
O=P(Cl)(OC1C=CC=CC=1)OC1C=CC=CC=1,1150.0,4.0,2.0,0.0,268.636,12.0,3.0,O=P(Cl)(OC1C=CC=CC=1)OC1C=CC=CC=1,3.060697840353612,Diphenyl phosphorochloridate
O=P(N1CC1)(N1CC1)N1CC1,37.0,4.0,2.0,0.0,173.15599999999998,6.0,1.0,O=P(N1CC1)(N1CC1)N1CC1,1.568201724066995,Tri(aziridin-1-yl)phosphine oxide
O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl,2336.0,4.0,0.0,0.0,430.907,9.0,4.0,O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl,3.3684728384403617,TDCPP
O=P(OC1=CC(=CC=C1)OP(=O)(OC1C=CC=CC=1)OC1C=CC=CC=1)(OC1C=CC=CC=1)OC1C=CC=CC=1,6251.0,1.0,0.0,2.0,574.4620000000002,30.0,8.0,O=P(OC1=CC(=CC=C1)OP(=O)(OC1C=CC=CC=1)OC1C=CC=CC=1)(OC1C=CC=CC=1)OC1C=CC=CC=1,3.7959494989028033,Resorcinol bis(diphenyl phosphate)
O=P(OC1C=CC=CC=1)(OC1C=CC=CC=1)OC1C=CC=CC=1,5575.0,4.0,2.0,1.0,326.288,18.0,4.0,O=P(OC1C=CC=CC=1)(OC1C=CC=CC=1)OC1C=CC=CC=1,3.746244871720198,Triphenyl phosphate
O=P(OC1C=CC=CC=1C1C=CC=CC=1)(OC1C=CC=CC=1)OC1C=CC=CC=1,10001.0,3.0,1.0,1.0,402.3860000000001,24.0,4.0,O=P(OC1C=CC=CC=1C1C=CC=CC=1)(OC1C=CC=CC=1)OC1C=CC=CC=1,4.000043427276863,2-Biphenylyl diphenyl phosphate
O=P(OCC(Br)CBr)(OCC(Br)CBr)OCC(Br)CBr,960.0,2.0,0.0,2.0,697.613,9.0,4.0,O=P(OCC(Br)CBr)(OCC(Br)CBr)OCC(Br)CBr,2.9822712330395684,"Tris(2,3-dibromopropyl) phosphate"
O=P(OCC(CBr)(CBr)CBr)(OCC(CBr)(CBr)CBr)OCC(CBr)(CBr)CBr,6251.0,1.0,0.0,2.0,1018.4629999999996,15.0,4.0,O=P(OCC(CBr)(CBr)CBr)(OCC(CBr)(CBr)CBr)OCC(CBr)(CBr)CBr,3.7959494989028033,Tris(tribromoneopentyl)phosphate
O=P(OCC(Cl)CCl)(OCC(Cl)CCl)OCC(Cl)CCl,2830.0,4.0,0.0,0.0,430.907,9.0,4.0,O=P(OCC(Cl)CCl)(OCC(Cl)CCl)OCC(Cl)CCl,3.45178643552429,"Tris(2,3-dichloropropyl)phosphate"
O=P(OCCCl)(OCCCl)OCC(COP(=O)(OCCCl)OCCCl)(CCl)CCl,3500.0,2.0,0.0,2.0,582.993,13.0,8.0,O=P(OCCCl)(OCCCl)OCC(COP(=O)(OCCCl)OCCCl)(CCl)CCl,3.5440680443502757,"Phosphoric acid, 2,2-bis(chloromethyl)-1,3-propanediyl tetrakis(2-chloroethyl) ester"
O=P(OCCCl)(OCCCl)OCCCl,794.0,4.0,2.0,0.0,285.491,6.0,4.0,O=P(OCCCl)(OCCCl)OCCCl,2.8998205024270964,Tris(2-chloroethyl) phosphate
O=P1(NCCCO1)N(CCCl)CCCl,112.0,4.0,3.0,0.0,261.089,7.0,2.0,O=P1(NCCCO1)N(CCCl)CCCl,2.0492180226701815,Cyclophosphamide monohydrate
O=P1(NCCCl)OCCCN1CCCl,143.0,4.0,3.0,0.0,261.08899999999994,7.0,2.0,O=P1(NCCCl)OCCCN1CCCl,2.155336037465062,Ifosfamide
O=P1OC2C=CC=CC=2C2C=CC=CC1=2,3500.0,4.0,2.0,0.0,216.176,12.0,2.0,O=P1OC2C=CC=CC=2C2C=CC=CC1=2,3.5440680443502757,"6H-Dibenzo[c,e][1,2]oxaphosphinine 6-oxide"
O=S(=O)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,545.0,3.0,3.0,0.0,300.80499999999995,2.0,2.0,O=S(=O)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,2.7363965022766426,Bis(trichloromethyl)sulfone
O=S(=O)(C1=CC(Cl)=C(Cl)C=C1Cl)C1C=CC(Cl)=CC=1,7529.0,4.0,1.0,1.0,356.057,12.0,2.0,O=S(=O)(C1=CC(Cl)=C(Cl)C=C1Cl)C1C=CC(Cl)=CC=1,3.8767372971406644,Tetradifon
O=S(=O)(C1=CC=CC2C=NC=CC=21)N1CCCNCC1,335.0,4.0,3.0,0.0,291.37600000000003,14.0,2.0,O=S(=O)(C1=CC=CC2C=NC=CC=21)N1CCCNCC1,2.525044807036845,Fasudil
O=S(=O)(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1,4095.0,4.0,2.0,0.0,287.16700000000003,12.0,2.0,O=S(=O)(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1,3.6122539060964374,"4,4'-Dichlorodiphenyl sulfone"
O=S(=O)(C1C=CC=CC=1)C1C=CC(Cl)=CC=1,1400.0,4.0,3.0,0.0,252.722,12.0,2.0,O=S(=O)(C1C=CC=CC=1)C1C=CC(Cl)=CC=1,3.146128035678238,4-Chlorophenyl phenyl sulfone
O=S(=O)(C1C=CC=CC=1)C1C=CC=CC=1,338.0,4.0,2.0,0.0,218.277,12.0,2.0,O=S(=O)(C1C=CC=CC=1)C1C=CC=CC=1,2.5289167002776547,Diphenylsulfone
O=S(=O)(CCl)C1C=CC(Br)=CC=1,7500.0,3.0,3.0,0.0,269.547,7.0,2.0,O=S(=O)(CCl)C1C=CC(Br)=CC=1,3.8750612633917,
O=S(=O)(COCS(=O)(=O)CCCl)CCCl,168.0,4.0,2.0,0.0,299.197,6.0,5.0,O=S(=O)(COCS(=O)(=O)CCCl)CCCl,2.225309281725863,"Ethane, 1,1'-[oxybis(methylenesulfonyl)]bis[2-chloro-"
O=S(=O)(Cl)C1=CC=C(Cl)C=C1,4250.0,3.0,2.0,0.0,211.069,6.0,2.0,O=S(=O)(Cl)C1=CC=C(Cl)C=C1,3.6283889300503116,"Benzenesulfonyl chloride, 4-chloro-"
O=S(=O)(Cl)C1C=CC=CC=1,1910.0,2.0,2.0,0.0,176.62400000000002,6.0,2.0,O=S(=O)(Cl)C1C=CC=CC=1,3.2810333672477277,Benzenesulfonyl chloride
O=S(=O)(Cl)C1C=CC=CC=1Cl,7500.0,3.0,2.0,0.0,211.069,6.0,2.0,O=S(=O)(Cl)C1C=CC=CC=1Cl,3.8750612633917,"Benzenesulfonyl chloride, 2-chloro-"
O=S(=O)(Cl)CCCl,240.0,2.0,2.0,0.0,163.025,2.0,2.0,O=S(=O)(Cl)CCCl,2.380211241711606,2-Chloro-ethanesulfonyl chloride
O=S(=O)(Cl)CCl,372.0,1.0,2.0,0.0,148.998,1.0,2.0,O=S(=O)(Cl)CCl,2.5705429398818973,"Methanesulfonyl chloride, chloro-"
O=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,1640.0,3.0,1.0,2.0,502.117,8.0,2.0,O=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,3.214843848047698,"1-Octanesulfonyl fluoride, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-"
O=S(=O)(F)C(F)(F)C(F)(F)OC(F)=C(F)F,3500.0,2.0,3.0,0.0,280.0919999999999,4.0,3.0,O=S(=O)(F)C(F)(F)C(F)(F)OC(F)=C(F)F,3.5440680443502757,"Ethanesulfonyl fluoride, 1,1,2,2-tetrafluoro-2-((1,2,2-trifluoroethenyl)oxy)-"
O=S(=O)(NCl)C1C=CC=CC=1,1150.0,3.0,2.0,0.0,191.63900000000004,6.0,2.0,O=S(=O)(NCl)C1C=CC=CC=1,3.060697840353612,Chloramine B
O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F,155.0,2.0,3.0,0.0,281.1549999999999,2.0,4.0,O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F,2.1903316981702914,Lithium bis[(trifluoromethyl)sulfonyl]azanide
O=S(=O)(OC1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1,3500.0,4.0,2.0,0.0,303.166,12.0,3.0,O=S(=O)(OC1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1,3.5440680443502757,Chlorfenson
O=S(=O)(OC1C=CC(Cl)=CC=1)C1C=CC=CC=1,1350.0,4.0,3.0,0.0,268.721,12.0,3.0,O=S(=O)(OC1C=CC(Cl)=CC=1)C1C=CC=CC=1,3.130333768495006,Fenson
O=S(=O)(OC1C=CC(Cl)=CC=1Cl)C1C=CC=CC=1,1000.0,4.0,2.0,0.0,303.166,12.0,3.0,O=S(=O)(OC1C=CC(Cl)=CC=1Cl)C1C=CC=CC=1,3.0,"2,4-Dichlorophenyl benzenesulfonate"
O=S(CC1C=CC=CC=1)CC1C=CC=CC=1,3500.0,4.0,2.0,0.0,230.332,14.0,1.0,O=S(CC1C=CC=CC=1)CC1C=CC=CC=1,3.5440680443502757,Benzyl sulfoxide
O=S(CCC1C(=O)N(C2C=CC=CC=2)N(C2C=CC=CC=2)C1=O)C1C=CC=CC=1,358.0,4.0,1.0,0.0,404.4910000000001,23.0,3.0,O=S(CCC1C(=O)N(C2C=CC=CC=2)N(C2C=CC=CC=2)C1=O)C1C=CC=CC=1,2.5538830266438746,Sulfinpyrazone
O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1,87.0,3.0,3.0,0.0,257.95300000000003,4.0,2.0,O=S1(=O)CC(Cl)(Cl)C(Cl)(Cl)C1,1.9395192526186185,"3,3,4,4-Tetrachlorotetrahydrothiophene 1,1-dioxide"
O=S1(=O)CC=CC1,2547.0,1.0,2.0,0.0,118.15699999999998,4.0,2.0,O=S1(=O)CC=CC1,3.406028944963615,3-Sulfolene
O=S1(=O)CCCC1,2284.0,1.0,2.0,0.0,120.173,4.0,2.0,O=S1(=O)CCCC1,3.3586960995738107,Sulfolane
O=S1(=O)CCCCO1,500.0,1.0,2.0,0.0,136.172,4.0,3.0,O=S1(=O)CCCCO1,2.6989700043360187,"1,2-Oxathiane, 2,2-dioxide"
O=S1(=O)CCCO1,112.0,1.0,2.0,0.0,122.145,3.0,3.0,O=S1(=O)CCCO1,2.0492180226701815,"1,3-Propane sultone"
O=S1(=O)CCN(CC1)C1C=CC=CC=1,800.0,4.0,2.0,0.0,211.286,10.0,2.0,O=S1(=O)CCN(CC1)C1C=CC=CC=1,2.9030899869919438,"4-Phenylthiomorpholine 1,1-dioxide"
O=S1(=O)OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl,18.0,4.0,2.0,0.0,422.9280000000001,9.0,4.0,O=S1(=O)OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl,1.255272505103306,Endosulfan sulfate
O=S1(=O)OCCO1,1150.0,0.0,2.0,0.0,124.117,2.0,4.0,O=S1(=O)OCCO1,3.060697840353612,"Ethylene glycol, cyclic sulfate"
O=S1OCC(CCl)O1,30.0,1.0,2.0,0.0,156.59,3.0,3.0,O=S1OCC(CCl)O1,1.4771212547196624,"1,3,2-Dioxathiolane, 4-(chloromethyl)-, 2-oxide"
O=S1OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl,87.0,4.0,1.0,0.0,406.9290000000001,9.0,3.0,O=S1OCC2C(CO1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl,1.9395192526186185,Endosulfan
OB(O)C1C=CC=CC=1,740.0,0.0,2.0,0.0,121.93199999999996,6.0,2.0,OB(O)C1C=CC=CC=1,2.8692317197309762,"Boronic acid, phenyl-"
OC(=O)C(=O)C(O)C(O)C(O)CO,3500.0,2.0,1.0,0.0,194.139,6.0,7.0,OC(=O)C(=O)C(O)C(O)C(O)CO,3.5440680443502757,D-arabino-2-Hexulosonic acid
OC(=O)C(=O)CC(O)=O,3500.0,0.0,2.0,0.0,132.071,4.0,5.0,OC(=O)C(=O)CC(O)=O,3.5440680443502757,"Butanedioic acid, 2-oxo-, sodium salt (1:2)"
OC(=O)C(=O)NC1C=C(C=CC=1)C1NN=NN=1,4000.0,4.0,2.0,0.0,233.187,9.0,3.0,OC(=O)C(=O)NC1C=C(C=CC=1)C1NN=NN=1,3.6020599913279625,Acitazanolast
OC(=O)C(Br)Br,1737.0,2.0,2.0,0.0,217.844,2.0,2.0,OC(=O)C(Br)Br,3.2397998184470986,Dibromoacetic acid
OC(=O)C(C1=CC=CC=C1Cl)N1CC2C=CSC=2CC1,3500.0,4.0,2.0,0.0,307.802,15.0,2.0,OC(=O)C(C1=CC=CC=C1Cl)N1CC2C=CSC=2CC1,3.5440680443502757,"(2-Chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetic acid--(7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonic acid (1/1)"
OC(=O)C(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1,740.0,4.0,2.0,0.0,281.138,14.0,2.0,OC(=O)C(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1,2.8692317197309762,"p,p'-DDA"
OC(=O)C(C1C=CC=CC=1)C1C=CC=CC=1,5540.0,4.0,2.0,0.0,212.248,14.0,2.0,OC(=O)C(C1C=CC=CC=1)C1C=CC=CC=1,3.74350976472843,"Benzeneacetic acid, .alpha.-phenyl-"
OC(=O)C(CC(O)=O)(CCC(O)=O)P(O)(O)=O,4500.0,3.0,2.0,0.0,270.13,7.0,9.0,OC(=O)C(CC(O)=O)(CCC(O)=O)P(O)(O)=O,3.6532125137753435,"2-Phosphonobutane-1,2,4-tricarboxylic acid, potassium salt (1:x)"
OC(=O)C(CCBr)(C1C=CC=CC=1)C1C=CC=CC=1,3500.0,4.0,2.0,0.0,319.19800000000004,16.0,2.0,OC(=O)C(CCBr)(C1C=CC=CC=1)C1C=CC=CC=1,3.5440680443502757,"4-Bromo-2,2-diphenylbutyric acid"
OC(=O)C(Cl)(Cl)CCl,2460.0,2.0,2.0,0.0,177.41400000000002,3.0,2.0,OC(=O)C(Cl)(Cl)CCl,3.3909351071033793,Chloropon
OC(=O)C(Cl)(Cl)Cl,4083.5,2.0,2.0,0.0,163.387,2.0,2.0,OC(=O)C(Cl)(Cl)Cl,3.611032559924521,"Acetic acid, trichloro-, lithium salt"
OC(=O)C(Cl)=C(Cl)C=O,363.0,2.0,2.0,0.0,168.963,4.0,3.0,OC(=O)C(Cl)=C(Cl)C=O,2.5599066250361124,"(2Z)-2,3-Dichloro-4-oxobut-2-enoic acid"
OC(=O)C(Cl)Cl,4050.5,1.0,2.0,0.0,128.942,2.0,2.0,OC(=O)C(Cl)Cl,3.607508636507978,Sodium dichloroacetate
OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,518.0,2.0,0.0,2.0,546.095,11.0,2.0,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,2.714329759745233,"Undecanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-eicosafluoro-, potassium salt"
OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,57.0,2.0,0.0,2.0,514.078,10.0,2.0,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,1.7558748556724915,PFDA
OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,430.0,4.0,1.0,0.0,414.064,8.0,2.0,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,2.6334684555795866,Sodium perfluorooctanoate
OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,4750.0,3.0,3.0,0.0,314.04999999999995,6.0,2.0,OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,3.6766936096248664,Lactoscatone
OC(=O)C(F)(F)C(F)(F)C(F)(F)F,2140.0,2.0,2.0,0.0,214.03599999999997,4.0,2.0,OC(=O)C(F)(F)C(F)(F)C(F)(F)F,3.330413773349191,Silver heptafluorobutyrate
OC(=O)C(F)(F)C(F)(F)F,1770.0,2.0,2.0,0.0,164.029,3.0,2.0,OC(=O)C(F)(F)C(F)(F)F,3.247973266361807,"2,2,3,3,3-Pentafluoropropanoic acid, sodium salt (1:1)"
OC(=O)C(F)(F)C(F)F,8570.0,1.0,2.0,0.0,146.03900000000002,3.0,2.0,OC(=O)C(F)(F)C(F)F,3.932980821923198,"Ammonium 2,2,3,3-tetrafluoropropionate"
OC(=O)C(F)(F)F,200.0,1.0,2.0,0.0,114.02200000000002,2.0,2.0,OC(=O)C(F)(F)F,2.3010299956639813,"Acetic acid, 2,2,2-trifluoro-, lithium salt (1:1)"
OC(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F,2268.0,3.0,3.0,0.0,330.049,6.0,3.0,OC(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F,3.355643050220869,Perfluoro-2-(propyloxy)propionic acid
OC(=O)C(O)(C1CCCCC1)C1C=CC=CC=1,2668.0,4.0,2.0,0.0,234.29499999999993,14.0,3.0,OC(=O)C(O)(C1CCCCC1)C1C=CC=CC=1,3.426185825244511,
OC(=O)C(O)(CC(O)=O)CC(O)=O,5220.8,2.0,2.0,0.0,192.123,6.0,7.0,OC(=O)C(O)(CC(O)=O)CC(O)=O,3.7177370564438,"1,2,3-Propanetricarboxylic acid, 2-hydroxy-, hydrate (1:1)"
OC(=O)C(O)=O,4012.875,0.0,2.0,0.0,90.03399999999999,2.0,4.0,OC(=O)C(O)=O,3.603455631785735,Urea oxalate
OC(=O)C(O)C(O)C(O)=O,2666.5,0.0,2.0,0.0,150.08599999999998,4.0,6.0,OC(=O)C(O)C(O)C(O)=O,3.4259415880188953,meso-Tartaric acid monohydrate
OC(=O)C(O)C1=CC=CC=C1Cl,3500.0,3.0,2.0,0.0,186.594,8.0,3.0,OC(=O)C(O)C1=CC=CC=C1Cl,3.5440680443502757,(R)-(-)-2-Chloromandelic acid
OC(=O)C(O)C1C=CC=CC=1,5000.0,1.0,2.0,0.0,152.149,8.0,3.0,OC(=O)C(O)C1C=CC=CC=1,3.6989700043360187,D-(-)-Mandelic acid
OC(=O)C(O)CC(O)=O,7625.0,0.0,2.0,0.0,134.087,4.0,5.0,OC(=O)C(O)CC(O)=O,3.8822398480188234,Disodium 2-hydroxybutanedioate
OC(=O)C1(CC1)C(=O)NC1=CC=C(Cl)C=C1Cl,1694.0,4.0,3.0,0.0,274.10300000000007,11.0,3.0,OC(=O)C1(CC1)C(=O)NC1=CC=C(Cl)C=C1Cl,3.228913405994688,Cyclanilide
OC(=O)C1(O)C2C=C(Cl)C=CC=2C2C=CC=CC1=2,10001.0,4.0,3.0,0.0,260.676,14.0,3.0,OC(=O)C1(O)C2C=C(Cl)C=CC=2C2C=CC=CC1=2,4.000043427276863,Chlorflurecol
OC(=O)C1(O)C2C=CC=CC=2C2C=CC=CC1=2,10000.0,4.0,2.0,0.0,226.231,14.0,3.0,OC(=O)C1(O)C2C=CC=CC=2C2C=CC=CC1=2,4.0,Flurenol
OC(=O)C1=C(CSC2=NN=CS2)CSC2C(NC(=O)CN3C=NN=N3)C(=O)N12,10001.0,3.0,2.0,2.0,440.49200000000013,13.0,4.0,OC(=O)C1=C(CSC2=NN=CS2)CSC2C(NC(=O)CN3C=NN=N3)C(=O)N12,4.000043427276863,Ceftezole
OC(=O)C1=C(Cl)C(Cl)=C(C(Cl)=C1Cl)C(O)=O,3000.0,3.0,2.0,0.0,303.91200000000003,8.0,4.0,OC(=O)C1=C(Cl)C(Cl)=C(C(Cl)=C1Cl)C(O)=O,3.4771212547196626,Chlorthal
OC(=O)C1=C(Cl)C(Cl)=CC=C1Cl,1075.0,3.0,2.0,0.0,225.458,7.0,2.0,OC(=O)C1=C(Cl)C(Cl)=CC=C1Cl,3.031408464251624,"2,3,6-Trichlorobenzoic acid"
OC(=O)C1=C(I)C(NC(=O)COCCOCCOCC(=O)NC2C(I)=C(C(I)=CC=2I)C(O)=O)=C(I)C=C1I,9000.0,2.0,0.0,2.0,1215.815,22.0,9.0,OC(=O)C1=C(I)C(NC(=O)COCCOCCOCC(=O)NC2C(I)=C(C(I)=CC=2I)C(O)=O)=C(I)C=C1I,3.9542425094393248,Biliscopin
OC(=O)C1=CC(=CC=C1)OC1C=CC(=CC=1Cl)C(F)(F)F,1170.0,4.0,2.0,0.0,316.6619999999999,14.0,3.0,OC(=O)C1=CC(=CC=C1)OC1C=CC(=CC=1Cl)C(F)(F)F,3.0681858617461617,"Benzoic acid, 3-[2-chloro-4-(trifluoromethyl)phenoxy]-"
OC(=O)C1=CC(=CC=C1)S(O)(=O)=O,2000.0,3.0,2.0,0.0,202.187,7.0,5.0,OC(=O)C1=CC(=CC=C1)S(O)(=O)=O,3.3010299956639813,3-Sulfobenzoic acid monosodium salt
OC(=O)C1=CC(=CC=C1O)N=NC1C=CC(=CC=1)C1C=CC(=CC=1)N=NC1=C(O)C(=CC=C1O)N=NC1C=C(C=CC=1O)S(O)(=O)=O,10001.0,1.0,0.0,4.0,654.6170000000003,31.0,9.0,OC(=O)C1=CC(=CC=C1O)N=NC1C=CC(=CC=1)C1C=CC(=CC=1)N=NC1=C(O)C(=CC=C1O)N=NC1C=C(C=CC=1O)S(O)(=O)=O,4.000043427276863,C.I. Direct Brown 95
OC(=O)C1=CC(=CC=C1O)N=NC1C=CC(=CC=1)N=NC1C=CC(=CC=1)S(O)(=O)=O,7500.0,4.0,0.0,1.0,426.41000000000014,19.0,6.0,OC(=O)C1=CC(=CC=C1O)N=NC1C=CC(=CC=1)N=NC1C=CC(=CC=1)S(O)(=O)=O,3.8750612633917,"Benzoic acid, 2-hydroxy-5-[[4-[(4-sulfophenyl)azo]phenyl]azo]-, disodium salt"
OC(=O)C1=CC(=CC=C1O)N=NC1C=CC(=CC=1)S(=O)(=O)NC1C=CC=CN=1,10001.0,4.0,1.0,0.0,398.4000000000001,18.0,5.0,OC(=O)C1=CC(=CC=C1O)N=NC1C=CC(=CC=1)S(=O)(=O)NC1C=CC=CN=1,4.000043427276863,Sulfasalazine
OC(=O)C1=CC(=CC=C1O)N=NC1C=CC(=CC=1)S(O)(=O)=O,10001.0,4.0,3.0,0.0,322.29800000000006,13.0,6.0,OC(=O)C1=CC(=CC=C1O)N=NC1C=CC(=CC=1)S(O)(=O)=O,4.000043427276863,"Benzoic acid, 2-hydroxy-5-[(4-sulfophenyl)azo]-, disodium salt"
OC(=O)C1=CC(=O)C2C(=CC=CC=2OCC(O)COC2=CC=CC3OC(=CC(=O)C=32)C(O)=O)O1,10001.0,4.0,1.0,0.0,468.37000000000023,23.0,11.0,OC(=O)C1=CC(=O)C2C(=CC=CC=2OCC(O)COC2=CC=CC3OC(=CC(=O)C=32)C(O)=O)O1,4.000043427276863,Cromolyn sodium
OC(=O)C1=CC(=O)NC2=CC=CC=C21,3500.0,4.0,2.0,0.0,189.17,10.0,3.0,OC(=O)C1=CC(=O)NC2=CC=CC=C21,3.5440680443502757,"Cinchoninic acid, 2-hydroxy-"
OC(=O)C1=CC(Br)=NN1C1N=CC=CC=1Cl,6251.0,4.0,3.0,0.0,302.515,9.0,2.0,OC(=O)C1=CC(Br)=NN1C1N=CC=CC=1Cl,3.7959494989028033,3-Bromo-1-(3-chloropyridin-2-yl)-1H-pyrazole-5-carboxylic acid
OC(=O)C1=CC(C=CC1=O)=C(C1C=C(C(O)=CC=1)C(O)=O)C1C=C(C(O)=CC=1)C(O)=O,9000.0,4.0,2.0,0.0,422.34500000000014,22.0,9.0,OC(=O)C1=CC(C=CC1=O)=C(C1C=C(C(O)=CC=1)C(O)=O)C1C=C(C(O)=CC=1)C(O)=O,3.9542425094393248,"Benzoic acid, 3,3'-[(3-carboxy-4-oxo-2,5-cyclohexadien-1-ylidene)methylene]bis[6-hydroxy-, ammonium salt (1:3)"
OC(=O)C1=CC(I)=CC(I)=C1I,2200.0,2.0,2.0,0.0,499.811,7.0,2.0,OC(=O)C1=CC(I)=CC(I)=C1I,3.342422680822206,"Benzoic acid, 2,3,5-triiodo-, sodium salt"
OC(=O)C1=CC(O)=C2C(=N1)C(=O)C=C1OC3=CC=CC=C3N=C12,10000.0,4.0,3.0,0.0,308.249,16.0,5.0,OC(=O)C1=CC(O)=C2C(=N1)C(=O)C=C1OC3=CC=CC=C3N=C12,4.0,Pirenoxine sodium
OC(=O)C1=CC2=CC=CC=C2C(CC2C3=CC=CC=C3C=C(C(=O)OCCOCCN3CCN(CC3)C(C3C=CC=CC=3)C3C=CC(Cl)=CC=3)C=2O)=C1O,1740.0,0.0,0.0,2.0,745.2720000000002,44.0,7.0,OC(=O)C1=CC2=CC=CC=C2C(CC2C3=CC=CC=C3C=C(C(=O)OCCOCCN3CCN(CC3)C(C3C=CC=CC=3)C3C=CC(Cl)=CC=3)C=2O)=C1O,3.2405492482826,
OC(=O)C1=CC2=CC=CC=C2OC1=O,200.0,4.0,2.0,0.0,190.15399999999997,10.0,4.0,OC(=O)C1=CC2=CC=CC=C2OC1=O,2.3010299956639813,Coumarin-3-carboxylic acid
OC(=O)C1=CC2C=CC(=CC=2C=C1)C(O)=O,7500.0,4.0,2.0,0.0,216.192,12.0,4.0,OC(=O)C1=CC2C=CC(=CC=2C=C1)C(O)=O,3.8750612633917,"2,6-Naphthalenedicarboxylic acid"
OC(=O)C1=CC=C(C2C1=C(C=CC=2C(O)=O)C(O)=O)C(O)=O,7500.0,4.0,3.0,0.0,304.21000000000004,14.0,8.0,OC(=O)C1=CC=C(C2C1=C(C=CC=2C(O)=O)C(O)=O)C(O)=O,3.8750612633917,"1,4,5,8-Naphthalenetetracarboxylic acid"
OC(=O)C1=CC=C(C=C1)B(O)O,3000.0,2.0,2.0,0.0,165.941,7.0,4.0,OC(=O)C1=CC=C(C=C1)B(O)O,3.4771212547196626,
OC(=O)C1=CC=C(Cl)C=C1NC1=CC=CC=C1C(O)=O,1150.0,4.0,3.0,0.0,291.69,14.0,4.0,OC(=O)C1=CC=C(Cl)C=C1NC1=CC=CC=C1C(O)=O,3.060697840353612,Lobenzarit sodium
OC(=O)C1=CC=C(O1)C(O)=O,2751.0,1.0,2.0,0.0,156.093,6.0,5.0,OC(=O)C1=CC=C(O1)C(O)=O,3.4394905903896835,"2,5-Furandicarboxylic acid"
OC(=O)C1=CC=C2C3C1=C(C=CC=3C(=O)OC2=O)C(O)=O,3508.0,4.0,3.0,0.0,286.19500000000005,14.0,7.0,OC(=O)C1=CC=C2C3C1=C(C=CC=3C(=O)OC2=O)C(O)=O,3.5450595846940027,"1,3-Dioxo-1H,3H-naphtho[1,8-cd]pyran-6,7-dicarboxylic acid"
OC(=O)C1=CC=CC(Cl)=C1Cl,619.0,3.0,2.0,0.0,191.013,7.0,2.0,OC(=O)C1=CC=CC(Cl)=C1Cl,2.791690649020118,"2,3-Dichlorobenzoic acid"
OC(=O)C1=CC=CC=C1C(=O)C1C=CC(=CC=1)C1C=CC=CC=1,3063.0,4.0,2.0,0.0,302.329,20.0,3.0,OC(=O)C1=CC=CC=C1C(=O)C1C=CC(=CC=1)C1C=CC=CC=1,3.4861469968065726,"Benzoic acid, o-(4-biphenylylcarbonyl)-"
OC(=O)C1=CC=CC=C1C(=O)NC1=CC=CC2=CC=CC=C21,1770.0,4.0,2.0,0.0,291.30600000000004,18.0,3.0,OC(=O)C1=CC=CC=C1C(=O)NC1=CC=CC2=CC=CC=C21,3.247973266361807,Naptalam-sodium
OC(=O)C1=CC=CC=C1C(=O)NC1C=CC=CC=1,8837.0,4.0,2.0,0.0,241.246,14.0,3.0,OC(=O)C1=CC=CC=C1C(=O)NC1C=CC=CC=1,3.9463048549934747,Lemax
OC(=O)C1=CC=CC=C1C(O)=O,5775.0,3.0,2.0,0.0,166.13199999999998,8.0,4.0,OC(=O)C1=CC=CC=C1C(O)=O,3.761551988564182,"1,2-Benzenedicarboxylic acid, potassium salt (1:2)"
OC(=O)C1=CC=CC=C1C1=C2C=CC3=CC(=O)C=CC3=C2OC2C3=CC=C(O)C=C3C=CC1=2,3500.0,3.0,1.0,1.0,432.4310000000002,28.0,5.0,OC(=O)C1=CC=CC=C1C1=C2C=CC3=CC(=O)C=CC3=C2OC2C3=CC=C(O)C=C3C=CC1=2,3.5440680443502757,"Disodium 2-(11-oxido-3-oxo-3H-dibenzo(c,h)xanthen-7-yl)benzoate"
OC(=O)C1=CC=CC=N1,1150.0,1.0,2.0,0.0,123.11099999999998,6.0,2.0,OC(=O)C1=CC=CC=N1,3.060697840353612,Picolinic acid
OC(=O)C1=CC=CN=C1C(O)=O,1550.0,2.0,2.0,0.0,167.11999999999998,7.0,4.0,OC(=O)C1=CC=CN=C1C(O)=O,3.1903316981702914,"2,3-Pyridinedicarboxylic acid, strontium salt"
OC(=O)C1=CC=CN=C1NC1C=C(C=CC=1)C(F)(F)F,250.0,4.0,2.0,0.0,282.221,13.0,2.0,OC(=O)C1=CC=CN=C1NC1C=C(C=CC=1)C(F)(F)F,2.3979400086720375,Niflumic acid
OC(=O)C1=CN(C2CC2)C2=CC(=C(F)C=C2C1=O)N1CCNCC1,5500.0,4.0,3.0,0.0,331.34700000000004,17.0,3.0,OC(=O)C1=CN(C2CC2)C2=CC(=C(F)C=C2C1=O)N1CCNCC1,3.7403626894942437,Ciprofloxacin
OC(=O)C1=CN(C2CC2)C2C=C(Cl)C(F)=CC=2C1=O,583.0,4.0,3.0,0.0,281.67,13.0,3.0,OC(=O)C1=CN(C2CC2)C2C=C(Cl)C(F)=CC=2C1=O,2.765668554759014,Fluoroquinolonic acid
OC(=O)C1=NN(C2C=CC(=CC=2)S(O)(=O)=O)C(=O)C1N=NC1C=CC(=CC=1)S(O)(=O)=O,3500.0,4.0,1.0,0.0,468.4250000000002,16.0,9.0,OC(=O)C1=NN(C2C=CC(=CC=2)S(O)(=O)=O)C(=O)C1N=NC1C=CC(=CC=1)S(O)(=O)=O,3.5440680443502757,FD&C Yellow 5 parent
OC(=O)C1=NN(CC2=CC=C(Cl)C=C2Cl)C2C=CC=CC=21,1700.0,4.0,2.0,0.0,321.16300000000007,15.0,2.0,OC(=O)C1=NN(CC2=CC=C(Cl)C=C2Cl)C2C=CC=CC=21,3.230448921378274,Lonidamine
OC(=O)C1C(=CCO)OC2CC(=O)N21,7936.0,3.0,2.0,0.0,199.162,8.0,5.0,OC(=O)C1C(=CCO)OC2CC(=O)N21,3.8996016591461222,Clavulanate potassium
OC(=O)C1C(C(O)=O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl,1770.0,4.0,2.0,0.0,388.845,9.0,4.0,OC(=O)C1C(C(O)=O)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl,3.247973266361807,Chlorendic acid
OC(=O)C1C(C2CCC1O2)C(O)=O,50.0,4.0,2.0,0.0,186.163,8.0,5.0,OC(=O)C1C(C2CCC1O2)C(O)=O,1.6989700043360187,Endothal
OC(=O)C1C2=NC=C(Cl)C=C2C=CC=1Cl,2190.0,4.0,2.0,0.0,242.061,10.0,2.0,OC(=O)C1C2=NC=C(Cl)C=C2C=CC=1Cl,3.3404441148401185,Quinclorac
OC(=O)C1C2CC(C=C2)C1C(O)=O,3500.0,4.0,2.0,0.0,182.175,9.0,4.0,OC(=O)C1C2CC(C=C2)C1C(O)=O,3.5440680443502757,
OC(=O)C1C=C(C=C(C=1)C(O)=O)C(O)=O,10001.0,4.0,2.0,0.0,210.141,9.0,6.0,OC(=O)C1C=C(C=C(C=1)C(O)=O)C(O)=O,4.000043427276863,"1,3,5-Benzenetricarboxylic acid"
OC(=O)C1C=C(C=CC=1)C(O)=O,10001.0,3.0,2.0,0.0,166.13199999999998,8.0,4.0,OC(=O)C1C=C(C=CC=1)C(O)=O,4.000043427276863,"1,3-Benzenedicarboxylic acid"
OC(=O)C1C=C(C=CC=1O)S(O)(=O)=O,1850.0,4.0,2.0,0.0,218.186,7.0,6.0,OC(=O)C1C=C(C=CC=1O)S(O)(=O)=O,3.2671717284030137,"Benzoic acid, 2-hydroxy-5-sulfo-"
OC(=O)C1C=C(I)C=C(I)C=1I,813.0,2.0,2.0,0.0,499.811,7.0,2.0,OC(=O)C1C=C(I)C=C(I)C=1I,2.910090545594068,"2,3,5-Triiodobenzoic acid"
OC(=O)C1C=C(NC2C=CC=CC=2)C(=CC=1NC1C=CC=CC=1)C(O)=O,2751.0,4.0,2.0,0.0,348.35800000000006,20.0,4.0,OC(=O)C1C=C(NC2C=CC=CC=2)C(=CC=1NC1C=CC=CC=1)C(O)=O,3.4394905903896835,"2,5-Dianilinoterephthalic acid"
OC(=O)C1C=C(O)C=C(C=1)C(O)=O,10001.0,3.0,2.0,0.0,182.13099999999997,8.0,5.0,OC(=O)C1C=C(O)C=C(C=1)C(O)=O,4.000043427276863,5-Hydoxyisophthalic acid
OC(=O)C1C=C2C(=CC=1)C(=O)OC2=O,2730.0,3.0,2.0,0.0,192.12599999999995,9.0,5.0,OC(=O)C1C=C2C(=CC=1)C(=O)OC2=O,3.436162647040756,Trimellitic anhydride
OC(=O)C1C=C2C=CC=CC2=C(N=NC2=CC=C3C=CC=CC3=C2S(O)(=O)=O)C=1O,7500.0,4.0,1.0,1.0,422.4180000000001,21.0,6.0,OC(=O)C1C=C2C=CC=CC2=C(N=NC2=CC=C3C=CC=CC3=C2S(O)(=O)=O)C=1O,3.8750612633917,"2-Naphthalenecarboxylic acid, 3-hydroxy-4-[2-(1-sulfo-2-naphthalenyl)diazenyl]-, strontium salt (1:1)"
OC(=O)C1C=C2C=CC=CC2=CC=1,3625.5,4.0,2.0,0.0,172.183,11.0,2.0,OC(=O)C1C=C2C=CC=CC2=CC=1,3.5593679094633317,2-Naphthalenecarboxylic acid
OC(=O)C1C=CC(=CC=1)C(O)=O,7810.0,3.0,2.0,0.0,166.132,8.0,4.0,OC(=O)C1C=CC(=CC=1)C(O)=O,3.8926510338773004,Terephthalic acid
OC(=O)C1C=CC(=CC=1)N=NC1C=C(C(O)=CC=1)C(O)=O,10000.0,4.0,3.0,0.0,286.243,14.0,5.0,OC(=O)C1C=CC(=CC=1)N=NC1C=C(C(O)=CC=1)C(O)=O,4.0,Benzalazine
OC(=O)C1C=CC(=CC=1)NC(=O)C(CC1C=CC(O)=CC=1)NC(=O)C1C=CC=CC=1,6000.0,4.0,1.0,0.0,404.4220000000001,23.0,5.0,OC(=O)C1C=CC(=CC=1)NC(=O)C(CC1C=CC(O)=CC=1)NC(=O)C1C=CC=CC=1,3.7781512503836434,Bentiromide sodium
OC(=O)C1C=CC(=CC=1)OCCN1C=NC=C1,1735.0,4.0,2.0,0.0,232.239,12.0,3.0,OC(=O)C1C=CC(=CC=1)OCCN1C=NC=C1,3.2392994791268923,Dazoxiben
OC(=O)C1C=CC(C=CC2C=CC(=CC=2)C2=NC3=CC=CC=C3O2)=CC=1,3500.0,4.0,2.0,1.0,341.36600000000004,22.0,3.0,OC(=O)C1C=CC(C=CC2C=CC(=CC=2)C2=NC3=CC=CC=C3O2)=CC=1,3.5440680443502757,"Benzoic acid, 4-[2-[4-(2-benzoxazolyl)phenyl]ethenyl]-"
OC(=O)C1C=CC(Cl)=CC=1,1170.0,1.0,2.0,0.0,156.56799999999998,7.0,2.0,OC(=O)C1C=CC(Cl)=CC=1,3.0681858617461617,4-Chlorobenzoic acid
OC(=O)C1C=CC=C(Cl)N=1,2180.0,1.0,2.0,0.0,157.55599999999998,6.0,2.0,OC(=O)C1C=CC=C(Cl)N=1,3.3384564936046046,6-Chloro-2-picolinic acid
OC(=O)C1C=CC=C2C=CC=C(C2=1)C1=CC=CC2=CC=CC(=C21)C(O)=O,5251.0,4.0,2.0,1.0,342.35000000000014,22.0,4.0,OC(=O)C1C=CC=C2C=CC=C(C2=1)C1=CC=CC2=CC=CC(=C21)C(O)=O,3.720242018287057,"[1,1'-Binaphthalene]-8,8'-dicarboxylic acid"
OC(=O)C1C=CC=CC=1,3468.6,1.0,2.0,0.0,122.12299999999996,7.0,2.0,OC(=O)C1C=CC=CC=1,3.540154219758759,"Benzoic acid, silver(1+) salt (1:1)"
OC(=O)C1C=CC=CC=1C(=O)C1C=CC(Cl)=CC=1,1150.0,4.0,3.0,0.0,260.676,14.0,3.0,OC(=O)C1C=CC=CC=1C(=O)C1C=CC(Cl)=CC=1,3.060697840353612,"Benzoic acid, 2-(4-chlorobenzoyl)-"
OC(=O)C1C=CC=CC=1C(=O)C1C=CC=CC=1,4600.0,4.0,2.0,0.0,226.231,14.0,3.0,OC(=O)C1C=CC=CC=1C(=O)C1C=CC=CC=1,3.662757831681574,"Benzoic acid, 2-benzoyl-"
OC(=O)C1C=CC=CC=1C(=O)NC1=CC=CC2C=CC=CC=21,6593.0,4.0,2.0,0.0,291.30600000000004,18.0,3.0,OC(=O)C1C=CC=CC=1C(=O)NC1=CC=CC2C=CC=CC=21,3.819083075743703,Naptalam
OC(=O)C1C=CC=CC=1C(=O)NC1C=CC(=CC=1)S(=O)(=O)NC1=NC=CS1,2751.0,4.0,2.0,0.0,403.4410000000001,17.0,5.0,OC(=O)C1C=CC=CC=1C(=O)NC1C=CC(=CC=1)S(=O)(=O)NC1=NC=CS1,3.4394905903896835,Phthalylsulfathiazole
OC(=O)C1C=CC=CC=1C(C1=CC(I)=C(O)C(I)=C1)=C1C=C(I)C(=O)C(I)=C1,2800.0,1.0,1.0,2.0,821.912,20.0,4.0,OC(=O)C1C=CC=CC=1C(C1=CC(I)=C(O)C(I)=C1)=C1C=C(I)C(=O)C(I)=C1,3.4471580313422194,Iodophthalein
OC(=O)C1C=CC=CC=1C=O,7500.0,1.0,2.0,0.0,150.13299999999998,8.0,3.0,OC(=O)C1C=CC=CC=1C=O,3.8750612633917,"Benzoic acid, 2-formyl-"
OC(=O)C1C=CC=CC=1NC1=CC(=CC=C1)C(F)(F)F,249.0,4.0,2.0,0.0,281.23299999999995,14.0,2.0,OC(=O)C1C=CC=CC=1NC1=CC(=CC=C1)C(F)(F)F,2.3961993470957363,Flufenamic acid
OC(=O)C1C=CC=CC=1OP(O)(O)=O,1104.0,4.0,2.0,0.0,218.10099999999997,7.0,6.0,OC(=O)C1C=CC=CC=1OP(O)(O)=O,3.0429690733931802,Salicylic acid dihydrogen phosphate
OC(=O)C1C=CC=CC=1P(C1C=CC=CC=1)C1C=CC=CC=1,1151.0,4.0,3.0,0.0,306.301,19.0,2.0,OC(=O)C1C=CC=CC=1P(C1C=CC=CC=1)C1C=CC=CC=1,3.0610753236297916,"Benzoic acid, 2-(diphenylphosphino)-"
OC(=O)C1C=CC=CC=1SSC1C=CC=CC=1C(O)=O,2751.0,4.0,2.0,0.0,306.36400000000003,14.0,4.0,OC(=O)C1C=CC=CC=1SSC1C=CC=CC=1C(O)=O,3.4394905903896835,"Benzoic acid, 2,2'-dithiobis-"
OC(=O)C1C=CN=CC=1,4626.0,1.0,2.0,0.0,123.11099999999998,6.0,2.0,OC(=O)C1C=CN=CC=1,3.6652056284346006,Isonicotinic acid
OC(=O)C1C=NC=CC=1,6920.0,1.0,2.0,0.0,123.11099999999998,6.0,2.0,OC(=O)C1C=NC=CC=1,3.840106094456758,Sodium nicotinate
OC(=O)C1CC(=O)NC(=O)C=1,3200.0,0.0,2.0,0.0,155.109,6.0,4.0,OC(=O)C1CC(=O)NC(=O)C=1,3.505149978319906,Citrazinic acid
OC(=O)C1CC(CC(=N1)C(O)=O)=CC=[N+]1C(C=C2CC(=O)C(=O)C=C12)C(O)=O,3142.0,3.0,2.0,0.0,387.3240000000002,18.0,8.0,OC(=O)C1CC(CC(=N1)C(O)=O)=CC=[N+]1C(C=C2CC(=O)C(=O)C=C12)C(O)=O,3.4972061807039547,
OC(=O)C1CC(CC1)C(O)=O,3250.0,2.0,2.0,0.0,158.153,7.0,4.0,OC(=O)C1CC(CC1)C(O)=O,3.5118833609788744,
OC(=O)C1CC(CN1)C1CCCCC1,2751.0,4.0,2.0,0.0,197.27799999999996,11.0,2.0,OC(=O)C1CC(CN1)C1CCCCC1,3.4394905903896835,trans-4-Cyclohexyl-L-proline
OC(=O)C1CC(O)C(O)C(O)C=1,2751.0,2.0,2.0,0.0,174.152,7.0,5.0,OC(=O)C1CC(O)C(O)C(O)C=1,3.4394905903896835,Shikimic acid
OC(=O)C1CC2CCCCC2N1,7500.0,4.0,2.0,0.0,169.22400000000002,9.0,2.0,OC(=O)C1CC2CCCCC2N1,3.8750612633917,"2-Carboxyoctahydroindole, (2S,3aS,7aS)-"
OC(=O)C1CC=CCC1,4260.0,1.0,2.0,0.0,126.155,7.0,2.0,OC(=O)C1CC=CCC1,3.629409599102719,CERAPP_57518
OC(=O)C1CCC(=O)N1,2875.0,0.0,2.0,0.0,129.11499999999998,5.0,3.0,OC(=O)C1CCC(=O)N1,3.4586378490256493,"Proline, 5-oxo-, sodium salt (1:1)"
OC(=O)C1CCC(CC1)C(O)=O,2038.0,4.0,2.0,0.0,172.17999999999998,8.0,4.0,OC(=O)C1CCC(CC1)C(O)=O,3.3092041796704077,"1,4-Cyclohexanedicarboxylic acid"
OC(=O)C1CCC2C=C(C3CCCCC3)C(Cl)=CC=21,41.0,4.0,2.0,0.0,278.77899999999994,16.0,2.0,OC(=O)C1CCC2C=C(C3CCCCC3)C(Cl)=CC=21,1.6127838567197355,Clidanac
OC(=O)C1CCCCC1,3265.0,2.0,2.0,0.0,128.17100000000002,7.0,2.0,OC(=O)C1CCCCC1,3.5138831856110926,Cyclohexanecarboxylic acid
OC(=O)C1CCCN1,5110.0,1.0,2.0,0.0,115.13200000000002,5.0,2.0,OC(=O)C1CCCN1,3.708420900134713,L-Proline
OC(=O)C1CCNCC1,3500.0,2.0,2.0,0.0,129.15900000000002,6.0,2.0,OC(=O)C1CCNCC1,3.5440680443502757,Isonipecotic acid hydrochloride
OC(=O)C1CN(CCOC(C2C=CC(=CC=2)C(F)(F)F)C2C=CC(=CC=2)C(F)(F)F)CCC=1,894.0,4.0,1.0,1.0,473.4130000000001,23.0,3.0,OC(=O)C1CN(CCOC(C2C=CC(=CC=2)C(F)(F)F)C2C=CC(=CC=2)C(F)(F)F)CCC=1,2.951337518795918,"3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-(2-(bis(4-(trifluoromethyl)phenyl)methoxy)ethyl)-, hydrochloride"
OC(=O)C1CNC1,7500.0,0.0,2.0,0.0,101.10500000000002,4.0,2.0,OC(=O)C1CNC1,3.8750612633917,3-Azetidinecarboxylic acid
OC(=O)C1CSC(C2=CC=CC=C2O)N1C(=O)CCS,8290.0,4.0,3.0,0.0,313.4000000000001,13.0,4.0,OC(=O)C1CSC(C2=CC=CC=C2O)N1C(=O)CCS,3.9185545305502734,Rentiapril
OC(=O)C1CSCN1,875.0,1.0,2.0,0.0,133.17200000000005,4.0,2.0,OC(=O)C1CSCN1,2.942008053022313,Timonacic
OC(=O)C1CSCN1C(=O)C1CCC(=O)N1,8000.0,3.0,2.0,0.0,244.272,9.0,4.0,OC(=O)C1CSCN1C(=O)C1CCC(=O)N1,3.9030899869919438,Pidotimod
OC(=O)C1N=C(Cl)C=CC=1Cl,5188.0,3.0,2.0,0.0,192.00100000000003,6.0,2.0,OC(=O)C1N=C(Cl)C=CC=1Cl,3.7149999674120426,Clopyralid-olamine
OC(=O)C1N=C(N(N=1)C1C=CC(Cl)=CC=1Cl)C(Cl)(Cl)Cl,7500.0,4.0,1.0,0.0,375.4260000000001,10.0,2.0,OC(=O)C1N=C(N(N=1)C1C=CC(Cl)=CC=1Cl)C(Cl)(Cl)Cl,3.8750612633917,Fenchlorazole [ISO]
OC(=O)C1SN=C(Cl)C=1Cl,1200.0,2.0,2.0,0.0,198.03,4.0,2.0,OC(=O)C1SN=C(Cl)C=1Cl,3.0791812460476247,"3,4-Dichloro-5-isothiazolecarboxylic acid"
OC(=O)C=CC(O)=O,5743.333333333333,1.0,2.0,0.0,116.072,4.0,4.0,OC(=O)C=CC(O)=O,3.759164022728366,Sodium maleate (1:x)
OC(=O)C=CC1C=CC(CN2C=NC=C2)=CC=1,4164.0,4.0,2.0,0.0,228.251,13.0,2.0,OC(=O)C=CC1C=CC(CN2C=NC=C2)=CC=1,3.6195107208384987,Ozagrel hydrochloride
OC(=O)C=CC1C=CC=CC=1,2500.0,2.0,2.0,0.0,148.161,9.0,2.0,OC(=O)C=CC1C=CC=CC=1,3.3979400086720375,Potassium cinnamate
OC(=O)C=CCl,320.0,1.0,2.0,0.0,106.508,3.0,2.0,OC(=O)C=CCl,2.505149978319906,(Z)-Sodium 3-chloroacrylate
OC(=O)C=O,2528.0,0.0,2.0,0.0,74.035,2.0,3.0,OC(=O)C=O,3.402777069610347,Glyoxylic acid
OC(=O)CBr,145.0,1.0,2.0,0.0,138.948,2.0,2.0,OC(=O)CBr,2.161368002234975,Bromoacetic acid
OC(=O)CC(C(CC(O)=O)C(O)=O)C(O)=O,1720.0,3.0,2.0,0.0,234.15999999999997,8.0,8.0,OC(=O)CC(C(CC(O)=O)C(O)=O)C(O)=O,3.2355284469075487,"1,2,3,4-Butanetetracarboxylic acid"
OC(=O)CC(CP1(=O)OC2C=CC=CC=2C2C=CC=CC1=2)C(O)=O,3500.0,4.0,3.0,0.0,346.2750000000001,17.0,6.0,OC(=O)CC(CP1(=O)OC2C=CC=CC=2C2C=CC=CC1=2)C(O)=O,3.5440680443502757,"Butanedioic acid, 2-[(6-oxido-6H-dibenz[c,e][1,2]oxaphosphorin-6-yl)methyl]-"
OC(=O)CC(NCCNC(CC(O)=O)C(O)=O)C(O)=O,2882.0,3.0,2.0,0.0,292.244,10.0,8.0,OC(=O)CC(NCCNC(CC(O)=O)C(O)=O)C(O)=O,3.4596939764779706,"N,N'-Ethylenedi-L-aspartic acid"
OC(=O)CC(O)=O,2995.0,0.0,2.0,0.0,104.061,3.0,4.0,OC(=O)CC(O)=O,3.4763968267253302,"Propanedioic acid, disodium salt"
OC(=O)CC1=CC(Cl)=C(C=C1)OCC1C=CC=CC=1,2820.0,4.0,2.0,0.0,276.719,15.0,3.0,OC(=O)CC1=CC(Cl)=C(C=C1)OCC1C=CC=CC=1,3.450249108319361,3-Chloro-4-benzoyloxyphenylacetic acid
OC(=O)CC1=CC2OCC3=CC=CC=C3C(=O)C=2C=C1,110.0,4.0,3.0,0.0,268.268,16.0,4.0,OC(=O)CC1=CC2OCC3=CC=CC=C3C(=O)C=2C=C1,2.041392685158225,Oxepinac
OC(=O)CC1=CC=CC2=CC=CC=C21,933.0,4.0,2.0,0.0,186.21,12.0,2.0,OC(=O)CC1=CC=CC2=CC=CC=C21,2.9698816437465,Potassium 1-naphthaleneacetate
OC(=O)CC1=CC=CC=C1NC1C(Cl)=CC=CC=1Cl,53.0,4.0,2.0,0.0,296.153,14.0,2.0,OC(=O)CC1=CC=CC=C1NC1C(Cl)=CC=CC=1Cl,1.724275869600789,Diclofenac sodium
OC(=O)CC1=CC=CC=C1OC1=CC=C(Cl)C=C1Cl,2280.0,4.0,2.0,0.0,297.13699999999994,14.0,3.0,OC(=O)CC1=CC=CC=C1OC1=CC=C(Cl)C=C1Cl,3.357934847000454,Fenclofenac
OC(=O)CC1=CSC(=N1)C1C=CC(Cl)=CC=1,850.0,4.0,3.0,0.0,253.71,11.0,2.0,OC(=O)CC1=CSC(=N1)C1C=CC(Cl)=CC=1,2.929418925714293,Fenclozic acid
OC(=O)CC1C(Cl)=C(Cl)C=CC=1Cl,1479.0,3.0,2.0,0.0,239.485,8.0,2.0,OC(=O)CC1C(Cl)=C(Cl)C=CC=1Cl,3.1699681739968923,Chlorfenac
OC(=O)CC1C=C2C(=CC=1)OCC1C=CC=CC=1C2=O,143.0,4.0,3.0,0.0,268.268,16.0,4.0,OC(=O)CC1C=C2C(=CC=1)OCC1C=CC=CC=1C2=O,2.155336037465062,Isoxepac
OC(=O)CC1C=CC(=CC=1)C1=CC=CC=C1F,638.0,4.0,2.0,0.0,230.238,14.0,2.0,OC(=O)CC1C=CC(=CC=1)C1=CC=CC=C1F,2.8048206787211623,"4-Biphenylacetic acid, 2'-fluoro-"
OC(=O)CC1C=CC(=CC=1)C1C=CC=CC=1,164.0,4.0,2.0,0.0,212.248,14.0,2.0,OC(=O)CC1C=CC(=CC=1)C1C=CC=CC=1,2.214843848047698,Felbinac
OC(=O)CC1C=CC(Cl)=CC=1Cl,3125.0,3.0,2.0,0.0,205.04,8.0,2.0,OC(=O)CC1C=CC(Cl)=CC=1Cl,3.494850021680094,"2,4-Dichlorophenylacetic acid"
OC(=O)CC1C=CC(OCC(O)CO)=C(Cl)C=1,10001.0,4.0,2.0,0.0,260.67299999999994,11.0,5.0,OC(=O)CC1C=CC(OCC(O)CO)=C(Cl)C=1,4.000043427276863,
OC(=O)CC1C=CC=C2C=CC=CC2=1,1000.0,4.0,2.0,0.0,186.21,12.0,2.0,OC(=O)CC1C=CC=C2C=CC=CC2=1,3.0,1-Naphthaleneacetic acid
OC(=O)CC1C=CC=CC=1,2250.0,1.0,2.0,0.0,136.14999999999998,8.0,2.0,OC(=O)CC1C=CC=CC=1,3.3521825181113627,"Benzeneacetic acid, sodium salt"
OC(=O)CC1C=CC=CC=1NC1C(Cl)=CC=CC=1Cl,105.0,4.0,2.0,0.0,296.153,14.0,2.0,OC(=O)CC1C=CC=CC=1NC1C(Cl)=CC=CC=1Cl,2.0211892990699383,Diclofenac
OC(=O)CC1SC(=NC=1C1C=CC(Cl)=CC=1)C1C=CC=CC=1,409.0,4.0,2.0,0.0,329.8080000000001,17.0,2.0,OC(=O)CC1SC(=NC=1C1C=CC(Cl)=CC=1)C1C=CC=CC=1,2.611723308007342,Fentiazac
OC(=O)CCC(=O)C(O)=O,7500.0,0.0,2.0,0.0,146.098,5.0,5.0,OC(=O)CCC(=O)C(O)=O,3.8750612633917,alpha-Ketoglutaric acid
OC(=O)CCC(=O)C1=CC=C(C2CCCCC2)C(Cl)=C1,300.0,4.0,2.0,0.0,294.7779999999999,16.0,3.0,OC(=O)CCC(=O)C1=CC=C(C2CCCCC2)C(Cl)=C1,2.4771212547196626,Bucloxic acid sodium
OC(=O)CCC(=O)C1C=CC(=CC=1)C1C=CC=CC=1,200.0,4.0,3.0,0.0,254.28500000000005,16.0,3.0,OC(=O)CCC(=O)C1C=CC(=CC=1)C1C=CC=CC=1,2.3010299956639813,Fenbufen
OC(=O)CCC(=O)C1C=CC(C2CCCCC2)=C(Cl)C=1,120.0,4.0,2.0,0.0,294.7779999999999,16.0,3.0,OC(=O)CCC(=O)C1C=CC(C2CCCCC2)=C(Cl)C=1,2.0791812460476247,Bucloxic acid
OC(=O)CCC(=O)OCCCCCC1C=CC(Cl)=CC=1,1130.0,4.0,2.0,0.0,298.76599999999996,15.0,4.0,OC(=O)CCC(=O)OCCCCCC1C=CC(Cl)=CC=1,3.0530784434834195,"Succinic acid, alpha-butyl-p-chlorobenzyl ester"
OC(=O)CCC(=O)OOC(=O)CCC(O)=O,3100.0,4.0,2.0,0.0,234.15999999999997,8.0,8.0,OC(=O)CCC(=O)OOC(=O)CCC(O)=O,3.4913616938342726,"Butanoic acid, 4,4'-dioxybis[4-oxo-"
OC(=O)CCC(C(O)=O)N(CC(O)=O)CC(O)=O,2751.0,3.0,2.0,0.0,263.20199999999994,9.0,8.0,OC(=O)CCC(C(O)=O)N(CC(O)=O)CC(O)=O,3.4394905903896835,"Tetrasodium N,N-Bis(carboxymethyl)-L-glutamate"
OC(=O)CCC(O)=O,4715.0,1.0,2.0,0.0,118.088,4.0,4.0,OC(=O)CCC(O)=O,3.6734816970733473,Monosodium succinate
OC(=O)CCC1(CCCC(CCC(O)=O)(CCC(O)=O)C1=O)CCC(O)=O,3500.0,4.0,1.0,0.0,386.39700000000016,18.0,9.0,OC(=O)CCC1(CCCC(CCC(O)=O)(CCC(O)=O)C1=O)CCC(O)=O,3.5440680443502757,"2-Oxocyclohexane-1,1,3,3-tetrapropionic acid"
OC(=O)CCC1=NC(=C(O1)C1C=CC=CC=1)C1C=CC=CC=1,4470.0,4.0,2.0,0.0,293.32200000000006,18.0,3.0,OC(=O)CCC1=NC(=C(O1)C1C=CC=CC=1)C1C=CC=CC=1,3.6503075231319366,Oxaprozin
OC(=O)CCC1NC2C=CC=CC=2N=1,1700.0,4.0,2.0,0.0,190.20200000000003,10.0,2.0,OC(=O)CCC1NC2C=CC=CC=2N=1,3.230448921378274,Procodazole
OC(=O)CCCC(=O)OOC(=O)CCCC(O)=O,1276.0,4.0,2.0,0.0,262.21399999999994,10.0,8.0,OC(=O)CCCC(=O)OOC(=O)CCCC(O)=O,3.1058506743851435,"Pentanoic acid, 5,5'-dioxybis[5-oxo-"
OC(=O)CCCC(O)=O,6000.0,1.0,2.0,0.0,132.115,5.0,4.0,OC(=O)CCCC(O)=O,3.7781512503836434,"Pentanedioic acid, sodium salt (1:2)"
OC(=O)CCCC1C=CC(=CC=1)N(CCCl)CCCl,76.0,4.0,2.0,0.0,304.217,14.0,2.0,OC(=O)CCCC1C=CC(=CC=1)N(CCCl)CCCl,1.8808135922807914,Chlorambucil
OC(=O)CCCCC(O)=O,7126.25,2.0,2.0,0.0,146.14200000000002,6.0,4.0,OC(=O)CCCCC(O)=O,3.8528610540121884,Dilithium adipate
OC(=O)CCCCC1CCSS1,1200.0,4.0,2.0,0.0,206.332,8.0,2.0,OC(=O)CCCCC1CCSS1,3.0791812460476247,alpha-Lipoic acid
OC(=O)CCCCC=C(C1C=NC=CC=1)C1C=CC=CC=1,3500.0,4.0,2.0,0.0,281.355,18.0,2.0,OC(=O)CCCCC=C(C1C=NC=CC=1)C1C=CC=CC=1,3.5440680443502757,Isbogrel
OC(=O)CCCCCC(O)=O,7000.0,3.0,2.0,0.0,160.169,7.0,4.0,OC(=O)CCCCCC(O)=O,3.845098040014257,Heptanedioic acid
OC(=O)CCCCCCCC(O)=O,7500.0,4.0,1.0,0.0,188.223,9.0,4.0,OC(=O)CCCCCCCC(O)=O,3.8750612633917,"Azelaic acid, potassium salt"
OC(=O)CCCCCCCCC(O)=O,10001.0,4.0,1.0,0.0,202.24999999999997,10.0,4.0,OC(=O)CCCCCCCCC(O)=O,4.000043427276863,"Decanedioic acid, lead(2+) salt (1:1)"
OC(=O)CCCCCCCCCCC(O)=O,3500.0,4.0,1.0,0.0,230.30399999999997,12.0,4.0,OC(=O)CCCCCCCCCCC(O)=O,3.5440680443502757,Dodecanedioic acid
OC(=O)CCCCCCCCCCCC(O)=O,2751.0,4.0,1.0,0.0,244.33099999999993,13.0,4.0,OC(=O)CCCCCCCCCCCC(O)=O,3.4394905903896835,Tridecanedioic acid
OC(=O)CCCCCCCCCCCCCCCCC(O)=O,6251.0,4.0,1.0,1.0,314.46599999999995,18.0,4.0,OC(=O)CCCCCCCCCCCCCCCCC(O)=O,3.7959494989028033,Octadecanedioic acid
OC(=O)CCCCCCI,2240.0,4.0,3.0,0.0,256.08299999999997,7.0,2.0,OC(=O)CCCCCCI,3.3502480183341627,"Heptanoic acid, 7-iodo-"
OC(=O)CCCCCCl,3080.0,2.0,2.0,0.0,150.60500000000002,6.0,2.0,OC(=O)CCCCCCl,3.4885507165004443,6-Chlorohexanoic acid
OC(=O)CCCCCNC1N=C(NCCCCCC(O)=O)N=C(NCCCCCC(O)=O)N=1,4875.5,4.0,1.0,0.0,468.5550000000003,21.0,6.0,OC(=O)CCCCCNC1N=C(NCCCCCC(O)=O)N=C(NCCCCCC(O)=O)N=1,3.688019160774239,"Trisodium 6,6',6''-(1,3,5-triazine-2,4,6-triyltriazanediyl)trihexanoate"
OC(=O)CCCNS(=O)(=O)C1C=C(C=CC=1)C(F)(F)F,10001.0,4.0,3.0,0.0,311.281,11.0,4.0,OC(=O)CCCNS(=O)(=O)C1C=C(C=CC=1)C(F)(F)F,4.000043427276863,"Butanoic acid, 4-(((3-(trifluoromethyl)phenyl)sulfonyl)amino)-"
OC(=O)CCCOC1=CC=C(Cl)C=C1Cl,1085.0,4.0,2.0,0.0,249.093,10.0,3.0,OC(=O)CCCOC1=CC=C(Cl)C=C1Cl,3.0354297381845483,"2,4-DB"
OC(=O)CCCOC1C=CC(Cl)=CC=1Cl,700.0,4.0,2.0,0.0,249.093,10.0,3.0,OC(=O)CCCOC1C=CC(Cl)=CC=1Cl,2.845098040014257,"Dimethylamine 4-(2,4-dichlorophenoxy)butyrate"
OC(=O)CCN1N=C2C=CC=CN2C1=O,7500.0,4.0,2.0,0.0,207.189,9.0,3.0,OC(=O)CCN1N=C2C=CC=CN2C1=O,3.8750612633917,"beta-(3-Oxo-s-triazolo)-(4,3a)-pyridin-2-yl-propionic acid"
OC(=O)CCS,83.75,1.0,2.0,0.0,106.146,3.0,2.0,OC(=O)CCS,1.922984815708883,"Propanoic acid, 3-mercapto-, ammonium salt (1:1)"
OC(=O)CCSCCC(O)=O,3000.0,4.0,2.0,0.0,178.209,6.0,4.0,OC(=O)CCSCCC(O)=O,3.4771212547196626,Bis(2-carboxyethyl) sulfide
OC(=O)CCl,83.575,1.0,2.0,0.0,94.497,2.0,2.0,OC(=O)CCl,1.9220763852646061,Chloroacetic acid
OC(=O)CF,2.415,1.0,2.0,0.0,78.042,2.0,2.0,OC(=O)CF,0.38291713508753095,Sodium fluoroacetate
OC(=O)CN(CC(O)=O)CC(O)=O,2103.8,2.0,2.0,0.0,191.139,6.0,6.0,OC(=O)CN(CC(O)=O)CC(O)=O,3.3230044507740413,"Glycine, N,N-bis(carboxymethyl)-, trisodium salt"
OC(=O)CN(CC(O)=O)CCCN(CC(O)=O)CC(O)=O,1600.0,3.0,2.0,0.0,306.2710000000001,11.0,8.0,OC(=O)CN(CC(O)=O)CCCN(CC(O)=O)CC(O)=O,3.2041199826559246,"Glycine, N,N'-1,3-propanediylbis[N-(carboxymethyl)]-, tetrasodium salt"
OC(=O)CN(CC(O)=O)CCN(CC(O)=O)CC(O)=O,4464.375,3.0,2.0,0.0,292.244,10.0,8.0,OC(=O)CN(CC(O)=O)CCN(CC(O)=O)CC(O)=O,3.6497606674686174,Tetrasodium ethylenediaminetetraacetate dihydrate
OC(=O)CN(CC(O)=O)CCOCCOCCN(CC(O)=O)CC(O)=O,3587.0,3.0,1.0,0.0,380.35000000000014,14.0,10.0,OC(=O)CN(CC(O)=O)CCOCCOCCN(CC(O)=O)CC(O)=O,3.5547313766759667,Egtazic Acid
OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CCN(CC(O)=O)CC(O)=O,3650.5,3.0,1.0,0.0,393.3490000000002,14.0,10.0,OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CCN(CC(O)=O)CC(O)=O,3.5623523527768066,"Glycine, N,N-bis[2-[bis(carboxymethyl)amino]ethyl]-, potassium salt (1:5)"
OC(=O)CN(CCO)CCO,3500.0,2.0,1.0,0.0,163.17299999999997,6.0,4.0,OC(=O)CN(CCO)CCO,3.5440680443502757,"N,N-Bis(2-hydroxyethyl)glycine sodium salt"
OC(=O)CN(CP(O)(O)=O)CP(O)(O)=O,3925.0,3.0,2.0,0.0,263.079,4.0,8.0,OC(=O)CN(CP(O)(O)=O)CP(O)(O)=O,3.5938396610812715,Glyphosine
OC(=O)CN1C(=O)C2=CC=CC3C=CC=C(C=32)C1=O,2500.0,4.0,3.0,0.0,255.229,14.0,4.0,OC(=O)CN1C(=O)C2=CC=CC3C=CC=C(C=32)C1=O,3.3979400086720375,Alrestatin
OC(=O)CN1C2=C(Cl)C=CC=C2SC1=O,3000.0,4.0,2.0,0.0,243.671,9.0,3.0,OC(=O)CN1C2=C(Cl)C=CC=C2SC1=O,3.4771212547196626,Benazolin
OC(=O)CN1C2C=C(Cl)C=CC=2C(=O)N(CC2=CC=C(Br)C=C2F)C1=O,4250.0,4.0,2.0,0.0,441.64000000000016,17.0,4.0,OC(=O)CN1C2C=C(Cl)C=CC=2C(=O)N(CC2=CC=C(Br)C=C2F)C1=O,3.6283889300503116,Zenarestat
OC(=O)CN1C2C=C(F)C=CC=2C(=O)N(CC2C=CC(Br)=CC=2F)C1=O,2144.0,4.0,2.0,0.0,425.1850000000001,17.0,4.0,OC(=O)CN1C2C=C(F)C=CC=2C(=O)N(CC2C=CC(Br)=CC=2F)C1=O,3.3312247810207323,"1(2H)-Quinazolineacetic acid, 3,4-dihydro-3-((4-bromo-2-fluorophenyl)methyl)-2,4-dioxo-7-fluoro-"
OC(=O)CNC(=O)C1=CC=C(Cl)C=C1,2230.0,4.0,2.0,0.0,213.62,9.0,3.0,OC(=O)CNC(=O)C1=CC=C(Cl)C=C1,3.3483048630481607,4-Chlorohippuric acid
OC(=O)CNC(=O)C1=CC=CO1,7500.0,2.0,2.0,0.0,169.136,7.0,4.0,OC(=O)CNC(=O)C1=CC=CO1,3.8750612633917,Furoylglycine
OC(=O)CNC(CO)(CO)CO,3500.0,2.0,1.0,0.0,179.17199999999997,6.0,5.0,OC(=O)CNC(CO)(CO)CO,3.5440680443502757,"Glycine, N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-"
OC(=O)CNCC(O)=O,8070.0,0.0,2.0,0.0,133.103,4.0,4.0,OC(=O)CNCC(O)=O,3.90687353472207,"Iminodiacetic acid, monosodium"
OC(=O)CNCP(O)(O)=O,6602.5,1.0,2.0,0.0,169.073,3.0,5.0,OC(=O)CNCP(O)(O)=O,3.8197084098789618,"Glycine, N-(phosphonomethyl)-, ammonium salt"
OC(=O)COC(=O)CC1C=CC=CC=1NC1C(Cl)=CC=CC=1Cl,130.0,4.0,1.0,0.0,354.1890000000001,16.0,4.0,OC(=O)COC(=O)CC1C=CC=CC=1NC1C(Cl)=CC=CC=1Cl,2.113943352306837,Aceclofenac
OC(=O)COC1=CC2C=CC=CC=2C=C1,600.0,4.0,2.0,0.0,202.209,12.0,3.0,OC(=O)COC1=CC2C=CC=CC=2C=C1,2.7781512503836434,2-Naphthoxyacetic acid
OC(=O)COC1=CC=C(Cl)C=C1Cl,701.5,3.0,2.0,0.0,221.039,8.0,3.0,OC(=O)COC1=CC=C(Cl)C=C1Cl,2.8460276753643785,"Potassium (2,4-dichlorophenoxy)acetate"
OC(=O)COC1=NN(C2N=CC=CC=21)C1C=C(C=CC=1)C(F)(F)F,1000.0,4.0,3.0,0.0,337.25700000000006,15.0,3.0,OC(=O)COC1=NN(C2N=CC=CC=21)C1C=C(C=CC=1)C(F)(F)F,3.0,"Acetic acid, ((1-(3-(trifluoromethyl)phenyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)oxy)- (9CI)"
OC(=O)COC1=NN(CC2C=CC=CC=2)C2=CC=CC=C21,1610.0,4.0,3.0,0.0,282.29900000000004,16.0,3.0,OC(=O)COC1=NN(CC2C=CC=CC=2)C2=CC=CC=C21,3.2068258760318495,Bendazac sodium
OC(=O)COC1=NN(CC2C=CC=CC=2)C2C=CC=CC=21,1200.0,4.0,3.0,0.0,282.29900000000004,16.0,3.0,OC(=O)COC1=NN(CC2C=CC=CC=2)C2C=CC=CC=21,3.0791812460476247,Bendazac
OC(=O)COC1C=C(Cl)C(Cl)=CC=1Cl,375.0,3.0,3.0,0.0,255.484,8.0,3.0,OC(=O)COC1C=C(Cl)C(Cl)=CC=1Cl,2.574031267727719,"2,4,5-Trichlorophenoxyacetic acid"
OC(=O)COC1C=CC(Cl)=C2C=CC=NC=12,3500.0,4.0,2.0,0.0,237.642,11.0,3.0,OC(=O)COC1C=CC(Cl)=C2C=CC=NC=12,3.5440680443502757,Cloquintocet [ISO]
OC(=O)COC1C=CC(Cl)=CC=1,850.0,3.0,2.0,0.0,186.594,8.0,3.0,OC(=O)COC1C=CC(Cl)=CC=1,2.929418925714293,4-Chlorophenoxyacetic acid
OC(=O)COC1C=CC(Cl)=CC=1CO,7500.0,4.0,2.0,0.0,216.62,9.0,4.0,OC(=O)COC1C=CC(Cl)=CC=1CO,3.8750612633917,Cloxyfonac [ISO]
OC(=O)COC1C=CC(Cl)=CC=1Cl,556.6666666666666,3.0,2.0,0.0,221.039,8.0,3.0,OC(=O)COC1C=CC(Cl)=CC=1Cl,2.7455952164279207,"2,4-Dichlorophenoxyacetic acid diethanolamine"
OC(=O)COC1C=CC=C(Cl)C=1Cl,3500.0,3.0,2.0,0.0,221.039,8.0,3.0,OC(=O)COC1C=CC=C(Cl)C=1Cl,3.5440680443502757,"2,3-Dichlorophenoxyacetic acid"
OC(=O)COC1C=CC=CC=1,4500.0,1.0,2.0,0.0,152.149,8.0,3.0,OC(=O)COC1C=CC=CC=1,3.6532125137753435,Phenoxyacetic acid
OC(=O)COC1N=C(Cl)C(Cl)=CC=1Cl,681.0,3.0,3.0,0.0,256.472,7.0,3.0,OC(=O)COC1N=C(Cl)C(Cl)=CC=1Cl,2.833147111912785,Triclopyr
OC(=O)COCC(O)=O,1470.0,0.0,2.0,0.0,134.08700000000002,4.0,5.0,OC(=O)COCC(O)=O,3.167317334748176,"Acetic acid, 2,2'-oxybis-, monosodium salt"
OC(=O)COCCN1CCN(CC1)C(C1C=CC=CC=1)C1C=CC(Cl)=CC=1,365.0,4.0,1.0,0.0,388.8950000000002,21.0,3.0,OC(=O)COCCN1CCN(CC1)C(C1C=CC=CC=1)C1C=CC(Cl)=CC=1,2.5622928644564746,Cetirizine
OC(=O)COCCOCC(O)=O,3500.0,2.0,2.0,0.0,178.14,6.0,6.0,OC(=O)COCCOCC(O)=O,3.5440680443502757,"3,6-Dioxaoctandioic acid"
OC(=O)COCCOCCOCC(O)=O,3500.0,3.0,1.0,0.0,222.19299999999996,8.0,7.0,OC(=O)COCCOCCOCC(O)=O,3.5440680443502757,"2,2'-(Oxybis(2,1-ethanediyloxy))bisacetic acid"
OC(=O)CONC(=O)C1C=CC=CC=1,2500.0,4.0,2.0,0.0,195.17400000000004,9.0,4.0,OC(=O)CONC(=O)C1C=CC=CC=1,3.3979400086720375,Benzadox
OC(=O)CS,157.8,1.0,2.0,0.0,92.119,2.0,2.0,OC(=O)CS,2.1981069988734014,"Acetic acid, 2-mercapto-, potassium salt (1:1)"
OC(=O)CS(O)(=O)=O,3160.0,0.0,2.0,0.0,140.116,2.0,5.0,OC(=O)CS(O)(=O)=O,3.499687082618404,"Acetic acid, 2-sulfo-, sodium salt (1:1)"
OC(=O)CSC1=CC=CC2C=CC=C(CCl)C=21,2500.0,4.0,2.0,0.0,266.749,13.0,2.0,OC(=O)CSC1=CC=CC2C=CC=C(CCl)C=21,3.3979400086720375,"Acetic acid, 2-(8-chloromethyl-1-naphthylthio)-"
OC(=O)CSC1=NC2=CC=CC=C2S1,1580.0,4.0,2.0,0.0,225.29400000000004,9.0,2.0,OC(=O)CSC1=NC2=CC=CC=C2S1,3.1986570869544226,"Acetic acid, (2-benzothiazolylthio)-"
OC(=O)CSC1C=C(Cl)C=CC=1Cl,1900.0,3.0,2.0,0.0,237.107,8.0,2.0,OC(=O)CSC1C=C(Cl)C=CC=1Cl,3.278753600952829,"Acetic acid, [(2,5-dichlorophenyl)thio]-"
OC(=O)CSCC(=O)NC1CCSC1=O,10000.0,4.0,2.0,0.0,249.313,8.0,4.0,OC(=O)CSCC(=O)NC1CCSC1=O,4.0,Erdosteine
OC(=O)N(CC(O)=O)CCCN(C(O)=O)C(O)=O,4501.0,4.0,3.0,0.0,264.19,8.0,8.0,OC(=O)N(CC(O)=O)CCCN(C(O)=O)C(O)=O,3.653309012938479,"Ferrate(1-), [[N,N'-1,3-propanediylbis[N-[(carboxy-.kappa.O)methyl]glycinato-.kappa.N,.kappa.O]](4-)]-, ammonium, (OC-6-21)-"
OC(=O)NN1C(CC(O)C2CCCCC12)CCCOC1C=CC(F)=CC=1,3500.0,4.0,2.0,0.0,366.43300000000016,19.0,4.0,OC(=O)NN1C(CC(O)C2CCCCC12)CCCOC1C=CC(F)=CC=1,3.5440680443502757,
OC(C(=O)C(O)=O)C(O)=O,6000.0,0.0,2.0,0.0,148.07,4.0,6.0,OC(C(=O)C(O)=O)C(O)=O,3.7781512503836434,
OC(C(=O)C1C=CC=CC=1)C1C=CC=CC=1,9550.0,4.0,2.0,0.0,212.248,14.0,2.0,OC(C(=O)C1C=CC=CC=1)C1C=CC=CC=1,3.9800033715837464,Benzoin
OC(C(=O)OC1CC2CCC(C1)[N+]12CCCC1)(C1C=CC=CC=1)C1C=CC=CC=1,1510.0,4.0,1.0,0.0,392.519,25.0,3.0,OC(C(=O)OC1CC2CCC(C1)[N+]12CCCC1)(C1C=CC=CC=1)C1C=CC=CC=1,3.1789769472931693,Trospium chloride
OC(C(=O)OCCN1CCCCC1)(C1C=CC=CC=1)C1C=CC=CC=1,1210.0,4.0,3.0,0.0,339.43500000000006,21.0,3.0,OC(C(=O)OCCN1CCCCC1)(C1C=CC=CC=1)C1C=CC=CC=1,3.0827853703164503,Piperilate hydrochloride
OC(C(O)=O)S(O)(=O)=O,3500.0,0.0,2.0,0.0,156.115,2.0,6.0,OC(C(O)=O)S(O)(=O)=O,3.5440680443502757,"Acetic acid, hydroxysulfo-, disodium salt"
OC(C1=CC2C3C(C1C2=C(C1=CC=CC=N1)C1C=CC=CC=1)C(=O)NC3=O)(C1C=CC=CN=1)C1C=CC=CC=1,8.0,2.0,1.0,1.0,511.5810000000002,33.0,3.0,OC(C1=CC2C3C(C1C2=C(C1=CC=CC=N1)C1C=CC=CC=1)C(=O)NC3=O)(C1C=CC=CN=1)C1C=CC=CC=1,0.9030899869919435,Norbormide
OC(C1=CC2C3C(C1C2=C(C1C=CC=CN=1)C1C=CC=CC=1)C(=O)NC3=O)(C1C=CC=CN=1)C1C=CC=CC=1,6.0,2.0,1.0,1.0,511.5810000000002,33.0,3.0,OC(C1=CC2C3C(C1C2=C(C1C=CC=CN=1)C1C=CC=CC=1)C(=O)NC3=O)(C1C=CC=CN=1)C1C=CC=CC=1,0.7781512503836436,
OC(C1=CC=CC=C1Cl)(C1C=CC(Cl)=CC=1)C1C=NC=NC=1,2500.0,4.0,2.0,0.0,331.202,17.0,1.0,OC(C1=CC=CC=C1Cl)(C1C=CC(Cl)=CC=1)C1C=NC=NC=1,3.3979400086720375,Fenarimol
OC(C1C=C(Cl)C=CC=1NC(=O)C1C=CN=CC=1)C1C=CC=CC=1,10001.0,4.0,2.0,0.0,338.79400000000004,19.0,2.0,OC(C1C=C(Cl)C=CC=1NC(=O)C1C=CN=CC=1)C1C=CC=CC=1,4.000043427276863,Inabenfide
OC(C1C=CC(Cl)=CC=1)(C1C=CC(Cl)=CC=1)C(Cl)(Cl)Cl,595.0,4.0,1.0,1.0,370.49,14.0,1.0,OC(C1C=CC(Cl)=CC=1)(C1C=CC(Cl)=CC=1)C(Cl)(Cl)Cl,2.7745169657285498,Dicofol
OC(C1C=CC=CC=1)C1C=CC(=CC=1)C1C=CC=CC=1,7500.0,4.0,2.0,0.0,260.336,19.0,1.0,OC(C1C=CC=CC=1)C1C=CC(=CC=1)C1C=CC=CC=1,3.8750612633917,
OC(C1C=CC=CC=1)C1C=CC=CC=1,7500.0,4.0,2.0,0.0,184.238,13.0,1.0,OC(C1C=CC=CC=1)C1C=CC=CC=1,3.8750612633917,Diphenylmethanol
OC(C1C=NC=CC=1)(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1,7500.0,4.0,2.0,0.0,330.21400000000006,18.0,1.0,OC(C1C=NC=CC=1)(C1C=CC(Cl)=CC=1)C1C=CC(Cl)=CC=1,3.8750612633917,Parinol
OC(C1CCCCN1)(C1C=CC=CC=1)C1C=CC=CC=1,180.0,4.0,3.0,0.0,267.3719999999999,18.0,1.0,OC(C1CCCCN1)(C1C=CC=CC=1)C1C=CC=CC=1,2.255272505103306,Pipradrol
OC(C1CCCCN1)C1=CC(=NC2C(=CC=CC=21)C(F)(F)F)C(F)(F)F,880.0,4.0,1.0,0.0,378.31600000000014,17.0,1.0,OC(C1CCCCN1)C1=CC(=NC2C(=CC=CC=21)C(F)(F)F)C(F)(F)F,2.9444826721501687,Mefloquine
OC(C1CCNCC1)(C1C=CC=CC=1)C1C=CC=CC=1,1164.0,4.0,3.0,0.0,267.372,18.0,1.0,OC(C1CCNCC1)(C1C=CC=CC=1)C1C=CC=CC=1,3.06595298031387,Azacyclonol
OC(CBr)C(O)C(O)C(O)CBr,1500.0,3.0,2.0,0.0,307.966,6.0,4.0,OC(CBr)C(O)C(O)C(O)CBr,3.1760912590556813,Dibromomannitol
OC(CC(C1C(=O)OC2C=CC=CC=2C1=O)C1C=CC=CC=1)C1C=CC(=CC=1)C1=CC=C(Br)C=C1,0.59,1.0,1.0,2.0,527.4140000000001,30.0,4.0,OC(CC(C1C(=O)OC2C=CC=CC=2C1=O)C1C=CC=CC=1)C1C=CC(=CC=1)C1=CC=C(Br)C=C1,-0.22914798835785583,Bromadiolone
OC(CC1C=CC=CC=1Cl)(CN1NC=NC1=S)C1(Cl)CC1,6200.0,4.0,3.0,0.0,344.26700000000005,14.0,1.0,OC(CC1C=CC=CC=1Cl)(CN1NC=NC1=S)C1(Cl)CC1,3.792391689498254,Prothioconazole
OC(CCCN1CCCCC1)(C1C=CC=CC=1)C1C=CC=CC=1,665.0,4.0,2.0,0.0,309.45300000000003,21.0,1.0,OC(CCCN1CCCCC1)(C1C=CC=CC=1)C1C=CC=CC=1,2.8228216453031045,Diphenidol
OC(CCN1CCCCC1)(C1CC2CC1C=C2)C1C=CC=CC=1,750.0,4.0,2.0,0.0,311.46900000000005,21.0,1.0,OC(CCN1CCCCC1)(C1CC2CC1C=C2)C1C=CC=CC=1,2.8750612633917,Biperiden
OC(CCN1CCCCC1)(C1CCCC1)C1C=CC=CC=1,628.0,4.0,2.0,0.0,287.4470000000001,19.0,1.0,OC(CCN1CCCCC1)(C1CCCC1)C1C=CC=CC=1,2.797959643737196,
OC(CCN1CCCCC1)(C1CCCCC1)C1C=CC=CC=1,1630.0,4.0,2.0,0.0,301.47400000000016,20.0,1.0,OC(CCN1CCCCC1)(C1CCCCC1)C1C=CC=CC=1,3.2121876044039577,Trihexyphenidyl hydrochloride
OC(CCl)CCl,110.0,1.0,2.0,0.0,128.986,3.0,1.0,OC(CCl)CCl,2.041392685158225,"1,3-Dichloro-2-propanol"
OC(CCl)CS(O)(=O)=O,3500.0,1.0,2.0,0.0,174.60499999999996,3.0,4.0,OC(CCl)CS(O)(=O)=O,3.5440680443502757,Sodium 3-chloro-2-hydroxypropane-1-sulfonate
OC(CN(CC(O)=O)CC(O)=O)CN(CC(O)=O)CC(O)=O,3200.0,3.0,2.0,0.0,322.27000000000004,11.0,9.0,OC(CN(CC(O)=O)CC(O)=O)CN(CC(O)=O)CC(O)=O,3.505149978319906,"Glycine, N,N'-(2-hydroxy-1,3-propanediyl)bis[N-(carboxymethyl)-, sodium salt (1:1)"
OC(CN1C=NC=C1)C1C=CC(CCC2C=CC=CC=2)=CC=1,2700.0,4.0,3.0,0.0,292.382,19.0,1.0,OC(CN1C=NC=C1)C1C=CC(CCC2C=CC=CC=2)=CC=1,3.4313637641589874,
OC(CN1C=NC=C1)C1C=CC(Cl)=CC=1Cl,3500.0,4.0,3.0,0.0,257.12,11.0,1.0,OC(CN1C=NC=C1)C1C=CC(Cl)=CC=1Cl,3.5440680443502757,"1H-Imidazole-1-ethanol, ?-(2,4-dichlorophenyl)-"
OC(CN1C=NC=N1)(C1C=CC=CC=1F)C1C=CC(F)=CC=1,1140.0,4.0,3.0,0.0,301.296,16.0,1.0,OC(CN1C=NC=N1)(C1C=CC=CC=1F)C1C=CC(F)=CC=1,3.0569048513364727,Flutriafol
OC(CN1C=NC=N1)(CN1C=NC=N1)C1C=CC(F)=CC=1F,1271.0,4.0,3.0,0.0,306.276,13.0,1.0,OC(CN1C=NC=N1)(CN1C=NC=N1)C1C=CC(F)=CC=1F,3.104145550554008,Fluconazole
OC(CN1CCCN(CC(O)CCl)C2=CC=CC=C12)CCl,750.0,4.0,2.0,0.0,333.259,15.0,2.0,OC(CN1CCCN(CC(O)CCl)C2=CC=CC=C12)CCl,2.8750612633917,
OC(CN=O)(C#CC1C=CC=CC=1)C1C=CC=CC=1,8750.0,4.0,3.0,0.0,251.28500000000005,16.0,2.0,OC(CN=O)(C#CC1C=CC=CC=1)C1C=CC=CC=1,3.942008053022313,
OC(CNC1C=CC=CN=1)C1C=CC=CC=1,756.0,4.0,2.0,0.0,214.26799999999997,13.0,1.0,OC(CNC1C=CC=CN=1)C1C=CC=CC=1,2.8785217955012063,
OC(CNCCO)CNCCO,7200.0,3.0,1.0,0.0,178.23199999999997,7.0,3.0,OC(CNCCO)CNCCO,3.8573324964312685,"2-Propanol, 1,3-bis((2-hydroxyethyl)amino)-"
OC(CO)C(O)C(O)C(C=O)OC(C=O)C(O)C(O)C(O)CO,3500.0,3.0,2.0,2.0,342.2970000000001,12.0,11.0,OC(CO)C(O)C(O)C(C=O)OC(C=O)C(O)C(O)C(O)CO,3.5440680443502757,"d-Glucose, ether with glycerol"
OC(CO)C(O)C(O)C(O)CO,10001.0,2.0,1.0,0.0,182.172,6.0,6.0,OC(CO)C(O)C(O)C(O)CO,4.000043427276863,D-Mannitol
OC(CO)C(O)CO,10001.0,0.0,2.0,0.0,122.12,4.0,4.0,OC(CO)C(O)CO,4.000043427276863,Erythritol
OC(CO)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)CO,10001.0,3.0,2.0,2.0,344.31300000000005,12.0,11.0,OC(CO)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)CO,4.000043427276863,D-Lactitol monohydrate
OC(CO)C1CC=CCC1,1070.0,2.0,2.0,0.0,142.19799999999998,8.0,2.0,OC(CO)C1CC=CCC1,3.0293837776852097,
OC(CO)CO,10001.0,0.0,2.0,0.0,92.094,3.0,3.0,OC(CO)CO,4.000043427276863,Glycerol
OC(COC1=CC=CC2OC(=CC(=O)C=21)C(O)=O)COC1=CC=CC2OC(=CC(=O)C=21)C(O)=O,2150.0,4.0,1.0,0.0,468.37000000000023,23.0,11.0,OC(COC1=CC=CC2OC(=CC(=O)C=21)C(O)=O)COC1=CC=CC2OC(=CC(=O)C=21)C(O)=O,3.3324384599156054,Cromolyn
OC(COC1C=CC=CC=1)CNCCNCC(O)COC1C=CC=CC=1,2920.0,4.0,1.0,0.0,360.4540000000001,20.0,4.0,OC(COC1C=CC=CC=1)CNCCNCC(O)COC1C=CC=CC=1,3.4653828514484184,
OC(COC1C=CC=CC=1)COC1C=CC=CC=1,1450.0,4.0,2.0,0.0,244.29,15.0,3.0,OC(COC1C=CC=CC=1)COC1C=CC=CC=1,3.161368002234975,"1,3-Diphenoxy-2-propanol"
OC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C(O)C(O)C(=O)CO,3000.0,2.0,1.0,3.0,504.4380000000001,18.0,16.0,OC(COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C(O)C(O)C(=O)CO,3.4771212547196626,
OC(NC(=O)NC(O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,6400.0,4.0,2.0,0.0,354.832,5.0,3.0,OC(NC(=O)NC(O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,3.806179973983887,Dichloralurea
OC(O)=O,2306.625,1.0,2.0,0.0,62.02400000000001,1.0,3.0,OC(O)=O,3.3629769947514667,Sodium carbonate monohydrate
OC(O)C(Cl)(Cl)Cl,489.5,2.0,2.0,0.0,165.403,2.0,2.0,OC(O)C(Cl)(Cl)Cl,2.6897526961391565,Chloral hydrate
OC(OCC(COC(O)C(Cl)(Cl)Cl)(COC(O)C(Cl)(Cl)Cl)COC(O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,897.0,2.0,0.0,1.0,725.699,13.0,8.0,OC(OCC(COC(O)C(Cl)(Cl)Cl)(COC(O)C(Cl)(Cl)Cl)COC(O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl,2.952792443044092,
OC1(C2=CC=CC=C2C2=NCCN12)C1C=CC(=CC=1)C(F)(F)F,353.0,4.0,3.0,0.0,318.2980000000001,17.0,1.0,OC1(C2=CC=CC=C2C2=NCCN12)C1C=CC(=CC=1)C(F)(F)F,2.5477747053878224,
OC1(C2=CC=CC=C2C2=NCCN12)C1C=CC(Cl)=CC=1,126.0,4.0,3.0,0.0,284.74600000000004,16.0,1.0,OC1(C2=CC=CC=C2C2=NCCN12)C1C=CC(Cl)=CC=1,2.100370545117563,Mazindol
OC1(C2=CC=CC=C2C2=NCCN12)C1C=CC=CC=1,300.0,4.0,3.0,0.0,250.30099999999996,16.0,1.0,OC1(C2=CC=CC=C2C2=NCCN12)C1C=CC=CC=1,2.4771212547196626,
OC1(C2C=C(F)C=CC=2C2=NCCN12)C1C=CC=CC=1,40.0,4.0,3.0,0.0,268.29099999999994,16.0,1.0,OC1(C2C=C(F)C=CC=2C2=NCCN12)C1C=CC=CC=1,1.6020599913279623,
OC1(CCCCC1)C(=O)C1C=CC=CC=1,3125.0,4.0,2.0,0.0,204.26899999999992,13.0,2.0,OC1(CCCCC1)C(=O)C1C=CC=CC=1,3.494850021680094,(1-Hydroxycyclohexyl)(phenyl)methanone
OC1(CCN(CCCC(=O)C2C=CC(F)=CC=2)CC1)C1C=CC(Br)=CC=1,359.0,4.0,1.0,0.0,420.3220000000002,21.0,2.0,OC1(CCN(CCCC(=O)C2C=CC(F)=CC=2)CC1)C1C=CC(Br)=CC=1,2.5550944485783194,Bromperidol
OC1(CCN(CCCC(=O)C2C=CC(F)=CC=2)CC1)C1C=CC(Cl)=CC=1,192.0,4.0,1.0,0.0,375.87100000000015,21.0,2.0,OC1(CCN(CCCC(=O)C2C=CC(F)=CC=2)CC1)C1C=CC(Cl)=CC=1,2.2833012287035497,Haloperidol
OC1(CCN(CCCC(=O)C2C=CC(F)=CC=2)CC1)C1C=CC=C(C=1)C(F)(F)F,140.0,4.0,1.0,0.0,409.4230000000002,22.0,2.0,OC1(CCN(CCCC(=O)C2C=CC(F)=CC=2)CC1)C1C=CC=C(C=1)C(F)(F)F,2.146128035678238,Trifluperidol
OC1(CCN(CCCC(C2C=CC(F)=CC=2)C2C=CC(F)=CC=2)CC1)C1C=C(C(Cl)=CC=1)C(F)(F)F,160.0,2.0,0.0,2.0,523.9730000000002,28.0,1.0,OC1(CCN(CCCC(C2C=CC(F)=CC=2)C2C=CC(F)=CC=2)CC1)C1C=C(C(Cl)=CC=1)C(F)(F)F,2.2041199826559246,Penfluridol
OC1(CCNCC1)C1C=CC(Cl)=CC=1,1150.0,4.0,2.0,0.0,211.69199999999995,11.0,1.0,OC1(CCNCC1)C1C=CC(Cl)=CC=1,3.060697840353612,4-(4-Chlorophenyl)-4-piperidinol
OC12CCC(=O)C3OC4C5=C(CC1N(CC1CC1)CCC253)C=CC=4O,1450.0,4.0,3.0,0.0,341.4070000000001,20.0,4.0,OC12CCC(=O)C3OC4C5=C(CC1N(CC1CC1)CCC253)C=CC=4O,3.161368002234975,Naltrexone
OC12COC(OC1C1OC(OCC1O2)C1C=CC=CC=1)C1C=CC=CC=1,3500.0,4.0,2.0,0.0,356.3740000000001,20.0,6.0,OC12COC(OC1C1OC(OCC1O2)C1C=CC=CC=1)C1C=CC=CC=1,3.5440680443502757,"D-Glucitol, bis-O-(phenylmethylene)-"
OC1=C(Br)C2OC3C(=CC(Br)=C(O)C=3Br)C(C3C(=C(Cl)C(Cl)=C(Cl)C=3Cl)C(O)=O)C=2C=C1Br,5450.0,1.0,1.0,2.0,787.691,20.0,5.0,OC1=C(Br)C2OC3C(=CC(Br)=C(O)C=3Br)C(C3C(=C(Cl)C(Cl)=C(Cl)C=3Cl)C(O)=O)C=2C=C1Br,3.7363965022766426,D&C Red 28
OC1=C(C(=O)NC2C=C(Cl)C=C(Cl)C=2O)C(Cl)=C(Cl)C=C1Cl,1000.0,3.0,1.0,1.0,401.46000000000015,13.0,3.0,OC1=C(C(=O)NC2C=C(Cl)C=C(Cl)C=2O)C(Cl)=C(Cl)C=C1Cl,3.0,Oxyclozanide
OC1=C(C=C(C=C1O)C(=O)OC1C(OC(=O)C2C=C(O)C(O)=C(C=2)OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(COC(=O)C2C=C(O)C(O)=C(C=2)OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1C=C(O)C(O)=C(C=1)OC(=O)C1=CC(O)=C(O)C(O)=C1)OC(=O)C1C=C(O)C(O)=C(C=1)OC(=O)C1=CC(O)=C(O)C(O)=C1)OC(=O)C1=CC(O)=C(O)C(O)=C1,2260.0,1.0,0.0,3.0,1701.2060000000006,76.0,46.0,OC1=C(C=C(C=C1O)C(=O)OC1C(OC(=O)C2C=C(O)C(O)=C(C=2)OC(=O)C2=CC(O)=C(O)C(O)=C2)C(OC(COC(=O)C2C=C(O)C(O)=C(C=2)OC(=O)C2=CC(O)=C(O)C(O)=C2)C1OC(=O)C1C=C(O)C(O)=C(C=1)OC(=O)C1=CC(O)=C(O)C(O)=C1)OC(=O)C1C=C(O)C(O)=C(C=1)OC(=O)C1=CC(O)=C(O)C(O)=C1)OC(=O)C1=CC(O)=C(O)C(O)=C1,3.3541084391474008,Tannic acid
OC1=C(C=C(Cl)C=C1Cl)C(=O)NC1C=C(Cl)C(Cl)=CC=1,243.0,4.0,2.0,1.0,351.0160000000001,13.0,2.0,OC1=C(C=C(Cl)C=C1Cl)C(=O)NC1C=C(Cl)C(Cl)=CC=1,2.385606273598312,"3,5-Dichlorosalicyl-3,4-dichloroanilide"
OC1=C(C=C(Cl)C=C1Cl)SC1=CC(Cl)=CC(Cl)=C1O,541.0,3.0,1.0,1.0,356.057,12.0,2.0,OC1=C(C=C(Cl)C=C1Cl)SC1=CC(Cl)=CC(Cl)=C1O,2.7331972651065692,Bithionol
OC1=C(C=C(Cl)C=C1Cl)SC1C=C(Cl)C=C(Cl)C=1O,492.0,3.0,1.0,1.0,356.057,12.0,2.0,OC1=C(C=C(Cl)C=C1Cl)SC1C=C(Cl)C=C(Cl)C=1O,2.69196510276736,Sodium bithionolate
OC1=C(I)C2OC3=C(C=C(I)C(O)=C3I)C3(OC(=O)C4=CC=CC=C34)C=2C=C1I,2744.0,1.0,1.0,2.0,835.8950000000001,20.0,5.0,OC1=C(I)C2OC3=C(C=C(I)C(O)=C3I)C3(OC(=O)C4=CC=CC=C34)C=2C=C1I,3.438384107034714,Erythrosin B
OC1=C(N=NC2=CC(=CC=C2Cl)C(F)(F)F)C2C=CC=CC=2C=C1C(=O)NC1=CC(Cl)=C(C=C1Cl)NC(=O)C1=CC2C=CC=CC=2C(N=NC2=CC(=CC=C2Cl)C(F)(F)F)=C1O,2751.0,0.0,0.0,2.0,930.476,42.0,4.0,OC1=C(N=NC2=CC(=CC=C2Cl)C(F)(F)F)C2C=CC=CC=2C=C1C(=O)NC1=CC(Cl)=C(C=C1Cl)NC(=O)C1=CC2C=CC=CC=2C(N=NC2=CC(=CC=C2Cl)C(F)(F)F)=C1O,3.4394905903896835,Pigment Red 242
OC1=C(NC2=CC=CC=C12)C1NC2C=CC=CC=2C=1O,4108.0,4.0,2.0,0.0,264.284,16.0,2.0,OC1=C(NC2=CC=CC=C12)C1NC2C=CC=CC=2C=1O,3.6136304349252404,"[2,2'-Bi-1H-indole]-3,3'-diol, disodium salt"
OC1=CC(=C(C=C1)NC1=CC(=C(O)C=C1)C(F)(F)F)C(O)=O,1000.0,4.0,2.0,0.0,313.231,14.0,4.0,OC1=CC(=C(C=C1)NC1=CC(=C(O)C=C1)C(F)(F)F)C(O)=O,3.0,"Benzoic acid, 5-hydroxy-2-((4-hydroxy-3-(trifluoromethyl)phenyl)amino)-"
OC1=CC(=C(O)C=C1)S(O)(=O)=O,5500.0,2.0,2.0,0.0,190.176,6.0,5.0,OC1=CC(=C(O)C=C1)S(O)(=O)=O,3.7403626894942437,"Potassium 2,5-dihydroxybenzenesulfonate"
OC1=CC(=C2C=CC3C4=C2C1=CC=C4C(=CC=3S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O,10001.0,4.0,2.0,0.0,458.4470000000002,16.0,10.0,OC1=CC(=C2C=CC3C4=C2C1=CC=C4C(=CC=3S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O,4.000043427276863,C.I. Solvent green 7
OC1=CC(=CC=C1)OC(=O)C1C=CC=CC=1,800.0,4.0,2.0,0.0,214.22,13.0,3.0,OC1=CC(=CC=C1)OC(=O)C1C=CC=CC=1,2.9030899869919438,Resorcinol monobenzoate
OC1=CC(CC(O)=O)=C(C=C1)NC1C(Cl)=CC(O)=CC=1Cl,1000.0,4.0,2.0,0.0,328.15100000000007,14.0,4.0,OC1=CC(CC(O)=O)=C(C=C1)NC1C(Cl)=CC(O)=CC=1Cl,3.0,"4',5-Dihydroxydiclofenac"
OC1=CC(Cl)=CC=C1,570.0,1.0,2.0,0.0,128.558,6.0,1.0,OC1=CC(Cl)=CC=C1,2.7558748556724915,3-Chlorophenol
OC1=CC(Cl)=CC=C1Cl,1955.0,2.0,2.0,0.0,163.003,6.0,1.0,OC1=CC(Cl)=CC=C1Cl,3.2911467617318855,"2,5-Dichlorophenol"
OC1=CC(O)=C(C=O)C=C1,400.0,1.0,2.0,0.0,138.122,7.0,3.0,OC1=CC(O)=C(C=O)C=C1,2.6020599913279625,"2,4-Dihydroxybenzaldehyde"
OC1=CC(O)=CC(=C1)SC1=CC(O)=CC(O)=C1,4290.0,4.0,3.0,0.0,250.275,12.0,4.0,OC1=CC(O)=CC(=C1)SC1=CC(O)=CC(O)=C1,3.6324572921847245,"Sulfide, bis(dihydroxyphenyl)"
OC1=CC(O)=CC=C1,622.0,1.0,2.0,0.0,110.11199999999998,6.0,2.0,OC1=CC(O)=CC=C1,2.7937903846908188,"1,3-Benzenediol, sodium salt (1:2)"
OC1=CC2=CC=CC=C2N=C1C1C(=O)C2=CC=CC=C2C1=O,5000.0,4.0,3.0,0.0,289.29,18.0,3.0,OC1=CC2=CC=CC=C2N=C1C1C(=O)C2=CC=CC=C2C1=O,3.6989700043360187,"1H-Inden-1-one, 3-hydroxy-2-(3-hydroxy-2-quinolinyl)-"
OC1=CC2C=CC=CC=2C=C1,1320.0,2.0,2.0,0.0,144.17299999999997,10.0,1.0,OC1=CC2C=CC=CC=2C=C1,3.12057393120585,2-Naphthalenol
OC1=CC2C=CC=CC=2C=C1C(O)=O,860.0,4.0,2.0,0.0,188.182,11.0,3.0,OC1=CC2C=CC=CC=2C=C1C(O)=O,2.934498451243568,3-Hydroxy-2-naphthoic acid
OC1=CC2CCC(=O)NC=2C=C1,3500.0,4.0,2.0,0.0,163.176,9.0,2.0,OC1=CC2CCC(=O)NC=2C=C1,3.5440680443502757,"6-Hydroxy-3,4-dihydro-2(1H)-quinolinone"
OC1=CC2CCCC=2C=C1,3250.0,3.0,2.0,0.0,134.178,9.0,1.0,OC1=CC2CCCC=2C=C1,3.5118833609788744,Indan-5-ol
OC1=CC2OC(=O)C=CC=2C=C1OC1OC(CO)C(O)C(O)C1O,3500.0,3.0,2.0,0.0,340.2840000000001,15.0,9.0,OC1=CC2OC(=O)C=CC=2C=C1OC1OC(CO)C(O)C(O)C1O,3.5440680443502757,Esculin
OC1=CC2OC(=O)SC=2C=C1,633.0,3.0,2.0,0.0,168.17299999999997,7.0,3.0,OC1=CC2OC(=O)SC=2C=C1,2.801403710017355,Thioxolone
OC1=CC2OC3=CC(O)=CC=C3C3(OC(=O)C4=CC=CC=C34)C=2C=C1,6720.0,4.0,2.0,0.0,332.31100000000004,20.0,5.0,OC1=CC2OC3=CC(O)=CC=C3C3(OC(=O)C4=CC=CC=C34)C=2C=C1,3.8273692730538253,Fluorescein sodium
OC1=CC=C(Br)C=C1C(=O)NC1C=CC(Br)=CC=1,410.0,4.0,1.0,0.0,371.028,13.0,2.0,OC1=CC=C(Br)C=C1C(=O)NC1C=CC(Br)=CC=1,2.6127838567197355,"4',5-Dibromosalicylanilide"
OC1=CC=C(C(=O)C2C=CC=CC=2)C(O)=C1O,7500.0,4.0,2.0,0.0,230.219,13.0,4.0,OC1=CC=C(C(=O)C2C=CC=CC=2)C(O)=C1O,3.8750612633917,"2,3,4-Trihydroxbenzophenone"
OC1=CC=C(C=C1)C(=O)CCl,230.0,3.0,2.0,0.0,170.595,8.0,2.0,OC1=CC=C(C=C1)C(=O)CCl,2.361727836017593,"Ethanone, 2-chloro-1-(4-hydroxyphenyl)-"
OC1=CC=C(C=C1)C1CCCCC1,7500.0,4.0,2.0,0.0,176.259,12.0,1.0,OC1=CC=C(C=C1)C1CCCCC1,3.8750612633917,CERAPP_29086
OC1=CC=C(C=C1)C=O,2250.0,1.0,2.0,0.0,122.12299999999996,7.0,2.0,OC1=CC=C(C=C1)C=O,3.3521825181113627,p-Hydroxybenzaldehyde
OC1=CC=C(C=C1)NCC1C=CC=CC=1,400.0,4.0,2.0,0.0,199.25300000000004,13.0,1.0,OC1=CC=C(C=C1)NCC1C=CC=CC=1,2.6020599913279625,"Phenol, 4-[(phenylmethyl)amino]-, hydrochloride (1:1)"
OC1=CC=C(C=C1)OCC1C=CC=CC=1,3200.0,4.0,2.0,0.0,200.237,13.0,2.0,OC1=CC=C(C=C1)OCC1C=CC=CC=1,3.505149978319906,4-(Benzyloxyl)phenol
OC1=CC=C(C=C1O)C(O)CNCCCCCCNCC(O)C1C=C(O)C(O)=CC=1,7500.0,4.0,1.0,0.0,420.506,22.0,6.0,OC1=CC=C(C=C1O)C(O)CNCCCCCCNCC(O)C1C=C(O)C(O)=CC=1,3.8750612633917,Hexoprenaline
OC1=CC=C(Cl)C=C1,944.0,1.0,2.0,0.0,128.558,6.0,1.0,OC1=CC=C(Cl)C=C1,2.974971994298069,4-Chlorophenol
OC1=CC=C(Cl)C=C1C1C=CC=CC=1,3500.0,4.0,1.0,0.0,204.65600000000003,12.0,1.0,OC1=CC=C(Cl)C=C1C1C=CC=CC=1,3.5440680443502757,4-Chloro-2-phenylphenol sodium salt
OC1=CC=C(Cl)C=C1CC1=CC(Cl)=CC=C1O,1594.5,4.0,2.0,0.0,269.127,13.0,2.0,OC1=CC=C(Cl)C=C1CC1=CC(Cl)=CC=C1O,3.202624523578978,Dichlorophen
OC1=CC=C(O)C2=C1C(=O)C1=C(C(=CC=C1NCCNCCO)NCCNCCO)C2=O,682.0,4.0,1.0,0.0,444.4880000000002,22.0,6.0,OC1=CC=C(O)C2=C1C(=O)C1=C(C(=CC=C1NCCNCCO)NCCNCCO)C2=O,2.833784374656479,Mitoxantrone
OC1=CC=C(O)C2=C1C(=O)C1C=CC=CC=1C2=O,6251.0,4.0,2.0,0.0,240.21399999999997,14.0,4.0,OC1=CC=C(O)C2=C1C(=O)C1C=CC=CC=1C2=O,3.7959494989028033,"1,4-Dihydroxyanthracene-9,10-dione"
OC1=CC=C2C(C(=O)C3C=CC=CC=3C2=O)=C1O,3500.0,4.0,2.0,0.0,240.21399999999997,14.0,4.0,OC1=CC=C2C(C(=O)C3C=CC=CC=3C2=O)=C1O,3.5440680443502757,Alizarin
OC1=CC=C2C=C(C=C(C2=C1N=NC1=CC=C(C2=CC=CC=C12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O,8000.0,3.0,0.0,1.0,538.5370000000001,20.0,10.0,OC1=CC=C2C=C(C=C(C2=C1N=NC1=CC=C(C2=CC=CC=C12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O,3.9030899869919438,SX purple
OC1=CC=C2C=CC=CC2=C1C=O,5501.0,4.0,2.0,0.0,172.18299999999996,11.0,2.0,OC1=CC=C2C=CC=CC2=C1C=O,3.740441644949766,"1-Naphthalenecarboxaldehyde, 2-hydroxy-"
OC1=CC=C2C=CC=CC2=C1N=NC1C=CC=CC=1,10000.0,4.0,1.0,0.0,248.285,16.0,1.0,OC1=CC=C2C=CC=CC2=C1N=NC1C=CC=CC=1,4.0,C.I. Solvent Yellow 14
OC1=CC=CC(Cl)=C1C1C=CC=CC=1,3500.0,4.0,1.0,0.0,204.65600000000003,12.0,1.0,OC1=CC=CC(Cl)=C1C1C=CC=CC=1,3.5440680443502757,"2-Biphenylol, 6-chloro-, sodium salt"
OC1=CC=CC2=C1C(=O)C=CC2=O,112.0,3.0,2.0,0.0,174.155,10.0,3.0,OC1=CC=CC2=C1C(=O)C=CC2=O,2.0492180226701815,Juglone
OC1=CC=CC2=C1C(=O)OC=C2C(=O)CO,250.0,4.0,2.0,0.0,220.18,11.0,5.0,OC1=CC=CC2=C1C(=O)OC=C2C(=O)CO,2.3979400086720375,Oosponol
OC1=CC=CC2=CC=CC=C21,2340.0,2.0,2.0,0.0,144.17299999999997,10.0,1.0,OC1=CC=CC2=CC=CC=C21,3.369215857410143,1-Naphthol
OC1=CC=CC2=CC=CN=C21,795.0,2.0,2.0,0.0,145.16099999999997,9.0,1.0,OC1=CC=CC2=CC=CN=C21,2.9003671286564705,(Quinolin-8-olato)lithium
OC1=CC=CC=C1C(=O)NCCO,4300.0,4.0,2.0,0.0,181.191,9.0,3.0,OC1=CC=CC=C1C(=O)NCCO,3.6334684555795866,Salicylic acid ethanolamide
OC1=CC=CC=C1C(O)=O,778.5,1.0,2.0,0.0,138.122,7.0,3.0,OC1=CC=CC=C1C(O)=O,2.891258616904139,"(Salicylato-O1,O2)silver"
OC1=CC=CC=C1C1C=CC=CC=1,947.5,4.0,2.0,0.0,170.211,12.0,1.0,OC1=CC=CC=C1C1C=CC=CC=1,2.97657921864011,Sodium 2-phenylphenate
OC1=CC=CC=C1C=CC(=O)OC(=O)C=CC1=CC=CC=C1O,1510.0,4.0,3.0,0.0,310.305,18.0,5.0,OC1=CC=CC=C1C=CC(=O)OC(=O)C=CC1=CC=CC=C1O,3.1789769472931693,
OC1=CC=CC=C1C=O,508.0,1.0,2.0,0.0,122.12299999999996,7.0,2.0,OC1=CC=CC=C1C=O,2.7058637122839193,Salicylaldehyde
OC1=CC=CC=C1Cl,688.0,1.0,2.0,0.0,128.558,6.0,1.0,OC1=CC=CC=C1Cl,2.837588438235511,2-Chlorophenol
OC1=CC=CC=C1S,178.0,1.0,2.0,0.0,126.18,6.0,1.0,OC1=CC=CC=C1S,2.250420002308894,"Phenol, o-mercapto- (6CI,7CI,8CI)"
OC1=CN2CC3=C(C=CC(Cl)=C3Cl)NC2=N1,1500.0,4.0,3.0,0.0,256.092,10.0,1.0,OC1=CN2CC3=C(C=CC(Cl)=C3Cl)NC2=N1,3.1760912590556813,Anagrelide
OC1=NC(=O)N(Cl)C(=O)N1Cl,1500.0,1.0,2.0,0.0,197.965,3.0,3.0,OC1=NC(=O)N(Cl)C(=O)N1Cl,3.1760912590556813,Sodium dichloro-s-triazinetrione dihydrate
OC1=NC(Cl)=C(Cl)C=C1Cl,800.0,3.0,2.0,0.0,198.436,5.0,1.0,OC1=NC(Cl)=C(Cl)C=C1Cl,2.9030899869919438,"3,5,6-Trichloro-2-pyridinol"
OC1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O,10000.0,3.0,3.0,0.0,268.22900000000004,10.0,5.0,OC1=NC=NC2=C1N=CN2C1OC(CO)C(O)C1O,4.0,Inosine
OC1C(=CC(=C2C=CC=CC=12)S(O)(=O)=O)N=NC1=CC=C(C2=CC=CC=C12)S(O)(=O)=O,6000.0,4.0,1.0,0.0,458.4730000000002,20.0,7.0,OC1C(=CC(=C2C=CC=CC=12)S(O)(=O)=O)N=NC1=CC=C(C2=CC=CC=C12)S(O)(=O)=O,3.7781512503836434,C.I. Acid Red 14
OC1C(=CC(Br)=CC=1Br)C(=O)NC1C=CC(Br)=CC=1,410.0,4.0,1.0,0.0,449.924,13.0,2.0,OC1C(=CC(Br)=CC=1Br)C(=O)NC1C=CC(Br)=CC=1,2.6127838567197355,Tribromsalan
OC1C(=CC(Cl)=CC=1C1C=CC(Cl)=CC=1)C(=O)NC1C=CC(Cl)=CC=1,2810.0,3.0,1.0,1.0,392.6690000000001,19.0,2.0,OC1C(=CC(Cl)=CC=1C1C=CC(Cl)=CC=1)C(=O)NC1C=CC(Cl)=CC=1,3.44870631990508,5-Chloro-3-(4-chlorophenyl)-4'-chlorosalicylanilide
OC1C(=CC(Cl)=CC=1C1C=CC=CC=1)C(=O)NC1=CC(Cl)=C(Cl)C=C1Cl,6310.0,3.0,1.0,1.0,427.11400000000015,19.0,2.0,OC1C(=CC(Cl)=CC=1C1C=CC=CC=1)C(=O)NC1=CC(Cl)=C(Cl)C=C1Cl,3.8000293592441343,"(1,1'-Biphenyl)-3-carboxamide, 5-chloro-2-hydroxy-N-(2,4,5-trichlorophenyl)-"
OC1C(=CC(Cl)=CC=1Cl)C1NC2=CC=CC=C2C(=O)N=1,3500.0,4.0,2.0,0.0,307.136,14.0,2.0,OC1C(=CC(Cl)=CC=1Cl)C1NC2=CC=CC=C2C(=O)N=1,3.5440680443502757,"4(1H)-Quinazolinone, 2-(3,5-dichloro-2-hydroxyphenyl)-"
OC1C(=CC2=CC(=CC=C2C=1N=NC1=CC=C(C2=CC=CC=C21)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O,6000.0,3.0,0.0,1.0,538.5370000000003,20.0,10.0,OC1C(=CC2=CC(=CC=C2C=1N=NC1=CC=C(C2=CC=CC=C21)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O,3.7781512503836434,Amaranth
OC1C(=CN=C2C=C(Cl)C=C(Cl)C=12)C(O)=O,3500.0,4.0,3.0,0.0,258.06,10.0,3.0,OC1C(=CN=C2C=C(Cl)C=C(Cl)C=12)C(O)=O,3.5440680443502757,"3-Quinolinecarboxylic acid, 5,7-dichloro-4-hydroxy-"
OC1C(Br)=C(Br)C(Br)=C(Br)C=1Br,200.0,2.0,1.0,1.0,488.593,6.0,1.0,OC1C(Br)=C(Br)C(Br)=C(Br)C=1Br,2.3010299956639813,Pentabromophenol
OC1C(Br)=C2C=CC=CC2=NC=1C1C(=O)C2C=CC=CC=2C1=O,8094.0,4.0,1.0,0.0,368.186,18.0,3.0,OC1C(Br)=C2C=CC=CC2=NC=1C1C(=O)C2C=CC=CC=2C1=O,3.9081632000555477,C.I. Disperse Yellow 64
OC1C(Br)=CC(Br)=CC=1Br,3378.0,3.0,2.0,0.0,330.801,6.0,1.0,OC1C(Br)=CC(Br)=CC=1Br,3.5286596452349897,"2,4,6-Tribromophenol"
OC1C(CC2=CC(Cl)=CC(Br)=C2O)=CC(Cl)=CC=1Br,3700.0,4.0,1.0,1.0,426.919,13.0,2.0,OC1C(CC2=CC(Cl)=CC(Br)=C2O)=CC(Cl)=CC=1Br,3.568201724066995,Bromochlorophene
OC1C(CC2C(Cl)=C(Cl)C=C(Cl)C=2O)=C(Cl)C(Cl)=CC=1Cl,62.217,3.0,1.0,1.0,406.907,13.0,2.0,OC1C(CC2C(Cl)=C(Cl)C=C(Cl)C=2O)=C(Cl)C(Cl)=CC=1Cl,1.7939090663217583,"2,2'-Methylenebis(3,4,6-trichlorophenol) monosodium salt"
OC1C(CO)OC(OC2C(CC(NC3C=C(CO)C(O)C(O)C3O)C(O)C2O)CO)C(O)C1O,10001.0,2.0,1.0,2.0,497.494,20.0,13.0,OC1C(CO)OC(OC2C(CC(NC3C=C(CO)C(O)C(O)C3O)C(O)C2O)CO)C(O)C1O,4.000043427276863,Validamycin
OC1C(COC(=O)C2=CN=CC=C2)(COC(=O)C2=CN=CC=C2)CCCC1(COC(=O)C1C=NC=CC=1)COC(=O)C1C=NC=CC=1,10000.0,1.0,0.0,3.0,640.6490000000003,34.0,9.0,OC1C(COC(=O)C2=CN=CC=C2)(COC(=O)C2=CN=CC=C2)CCCC1(COC(=O)C1C=NC=CC=1)COC(=O)C1C=NC=CC=1,4.0,Nicomolol
OC1C(Cl)=C(Cl)C(Cl)=C(Cl)C=1Cl,147.0,3.0,2.0,0.0,266.33799999999997,6.0,1.0,OC1C(Cl)=C(Cl)C(Cl)=C(Cl)C=1Cl,2.167317334748176,Pentachlorophenol
OC1C(Cl)=CC(Cl)=C(Cl)C=1Cl,140.0,3.0,1.0,0.0,231.89299999999997,6.0,1.0,OC1C(Cl)=CC(Cl)=C(Cl)C=1Cl,2.146128035678238,"2,3,4,6-Tetrachlorophenol"
OC1C(Cl)=CC(Cl)=CC=1Cl,1563.0,3.0,2.0,0.0,197.448,6.0,1.0,OC1C(Cl)=CC(Cl)=CC=1Cl,3.193958978019187,"Potassium 2,4,6-trichlorophenate"
OC1C(Cl)=CC=C(Cl)C=1C(O)=O,1560.0,3.0,2.0,0.0,207.012,7.0,3.0,OC1C(Cl)=CC=C(Cl)C=1C(O)=O,3.1931245983544616,"Benzoic acid, 3,6-dichloro-2-hydroxy-"
OC1C(Cl)=CN=C(Cl)C=1Cl,80.0,3.0,2.0,0.0,198.436,5.0,1.0,OC1C(Cl)=CN=C(Cl)C=1Cl,1.9030899869919435,Pyriclor
OC1C(I)=CC(=CC=1I)OC1=C(I)C=C(CC(O)=O)C=C1I,0.82,3.0,1.0,2.0,747.83,14.0,4.0,OC1C(I)=CC(=CC=1I)OC1=C(I)C=C(CC(O)=O)C=C1I,-0.08618614761628333,Tetrac
OC1C(I)=CC(CC(C2C=CC=CC=2)C(O)=O)=CC=1I,1100.0,3.0,1.0,0.0,494.066,15.0,3.0,OC1C(I)=CC(CC(C2C=CC=CC=2)C(O)=O)=CC=1I,3.041392685158225,Iodoalphionic acid
OC1C(I)=CC(Cl)=C2C=CC=NC2=1,7500.0,3.0,3.0,0.0,305.502,9.0,1.0,OC1C(I)=CC(Cl)=C2C=CC=NC2=1,3.8750612633917,Clioquinol
OC1C(N=NC2=CC(Cl)=CC=C2Cl)=C2C=CC=CC2=CC=1C(=O)NC1C=CC(=CC=1)NC(=O)C1=CC2=CC=CC=C2C(N=NC2C=C(Cl)C=CC=2Cl)=C1O,10001.0,0.0,0.0,2.0,794.482,40.0,4.0,OC1C(N=NC2=CC(Cl)=CC=C2Cl)=C2C=CC=CC2=CC=1C(=O)NC1C=CC(=CC=1)NC(=O)C1=CC2=CC=CC=C2C(N=NC2C=C(Cl)C=CC=2Cl)=C1O,4.000043427276863,Pigment Red 166
OC1C(N=NC2=CC(Cl)=CC=C2Cl)=C2C=CC=CC2=CC=1C(=O)NC1C=CC(=CC=1Cl)NC(=O)C1C=C2C=CC=CC2=C(N=NC2C=C(Cl)C=CC=2Cl)C=1O,8125.0,0.0,0.0,2.0,828.9269999999999,40.0,4.0,OC1C(N=NC2=CC(Cl)=CC=C2Cl)=C2C=CC=CC2=CC=1C(=O)NC1C=CC(=CC=1Cl)NC(=O)C1C=C2C=CC=CC2=C(N=NC2C=C(Cl)C=CC=2Cl)C=1O,3.909823369650912,"2-Naphthalenecarboxamide, N,N'-(2-chloro-1,4-phenylene)bis[4-[(2,5-dichlorophenyl)azo]-3-hydroxy-"
OC1C(N=NC2=CC(Cl)=CC=C2Cl)=C2C=CC=CC2=CC=1C(=O)NC1C=CC=CC=1,10001.0,3.0,1.0,1.0,436.2980000000001,23.0,2.0,OC1C(N=NC2=CC(Cl)=CC=C2Cl)=C2C=CC=CC2=CC=1C(=O)NC1C=CC=CC=1,4.000043427276863,C.I. Pigment Red 2
OC1C(N=NC2C=C(Cl)C=CC=2Cl)=C2C=CC=CC2=CC=1C(=O)NC1=CC(Cl)=C(C=C1Cl)NC(=O)C1C=C2C=CC=CC2=C(N=NC2C=C(Cl)C=CC=2Cl)C=1O,2751.0,0.0,0.0,2.0,863.372,40.0,4.0,OC1C(N=NC2C=C(Cl)C=CC=2Cl)=C2C=CC=CC2=CC=1C(=O)NC1=CC(Cl)=C(C=C1Cl)NC(=O)C1C=C2C=CC=CC2=C(N=NC2C=C(Cl)C=CC=2Cl)C=1O,3.4394905903896835,"2-Naphthalenecarboxamide, N,N'-(2,5-dichloro-1,4-phenylene)bis[4-[(2,5-dichlorophenyl)azo]-3-hydroxy-"
OC1C(N=NC2C=C(Cl)C=CC=2Cl)=C2C=CC=CC2=CC=1C(=O)NC1C=C2NC(=O)NC2=CC=1,2751.0,1.0,1.0,1.0,492.32200000000023,24.0,3.0,OC1C(N=NC2C=C(Cl)C=CC=2Cl)=C2C=CC=CC2=CC=1C(=O)NC1C=C2NC(=O)NC2=CC=1,3.4394905903896835,"2-Naphthalenecarboxamide, 4-[(2,5-dichlorophenyl)azo]-N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-"
OC1C(N=NC2C=C(Cl)C=CC=2Cl)=C2C=CC=CC2=CC=1C(O)=O,3125.0,3.0,1.0,1.0,361.1840000000001,17.0,3.0,OC1C(N=NC2C=C(Cl)C=CC=2Cl)=C2C=CC=CC2=CC=1C(O)=O,3.494850021680094,"2-Naphthalenecarboxylic acid, 4-[(2,5-dichlorophenyl)azo]-3-hydroxy-"
OC1C(N=NC2C=CC(=CC=2S(O)(=O)=O)N=NC2C=CC(=CC=2)S(O)(=O)=O)=C(C=C2C=C(C=CC=12)NC(=O)NC1C=C2C=C(C(N=NC3C=CC(=CC=3S(O)(=O)=O)N=NC3C=CC(=CC=3)S(O)(=O)=O)=C(O)C2=CC=1)S(O)(=O)=O)S(O)(=O)=O,7500.0,0.0,0.0,4.0,1241.2020000000002,45.0,21.0,OC1C(N=NC2C=CC(=CC=2S(O)(=O)=O)N=NC2C=CC(=CC=2)S(O)(=O)=O)=C(C=C2C=C(C=CC=12)NC(=O)NC1C=C2C=C(C(N=NC3C=CC(=CC=3S(O)(=O)=O)N=NC3C=CC(=CC=3)S(O)(=O)=O)=C(O)C2=CC=1)S(O)(=O)=O)S(O)(=O)=O,3.8750612633917,C.I.Direct Red 80
OC1C(O)C(OC(CO)C1O)OC1C(CO)OC(O)(CO)C1O,10001.0,3.0,2.0,2.0,342.29699999999997,12.0,11.0,OC1C(O)C(OC(CO)C1O)OC1C(CO)OC(O)(CO)C1O,4.000043427276863,Lactulose
OC1C(OC(CO)C(O)C1O)OC1(CO)OC(CO)C(O)C1O,10001.0,3.0,2.0,2.0,342.297,12.0,11.0,OC1C(OC(CO)C(O)C1O)OC1(CO)OC(CO)C(O)C1O,4.000043427276863,Sucrose
OC1C2=CC=C(C=C2C=C(C=1N=NC1C=CC(=CC=1)N=NC1C=CC(=CC=1)S(O)(=O)=O)S(O)(=O)=O)NC(=O)C1C=CC=CC=1,10000.0,1.0,0.0,2.0,631.6480000000001,29.0,8.0,OC1C2=CC=C(C=C2C=C(C=1N=NC1C=CC(=CC=1)N=NC1C=CC(=CC=1)S(O)(=O)=O)S(O)(=O)=O)NC(=O)C1C=CC=CC=1,4.0,7-(Benzoylamino)-4-hydroxy-3-[[4-[(4-sulfophenyl)azo]phenyl]azo]-2-naphthalenesulfonic acid
OC1C2C(=CC(=CC=2C=C(C=1N=NC1C=CC2=C(C=CC=C2C=1S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)NC1N=C(NC2=CC=CC(=C2)S(=O)(=O)CCOS(O)(=O)=O)N=C(Cl)N=1,10001.0,1.0,0.0,3.0,1026.418,31.0,19.0,OC1C2C(=CC(=CC=2C=C(C=1N=NC1C=CC2=C(C=CC=C2C=1S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)NC1N=C(NC2=CC=CC(=C2)S(=O)(=O)CCOS(O)(=O)=O)N=C(Cl)N=1,4.000043427276863,"1,5-Naphthalenedisulfonic acid, 2-[[8-[[4-chloro-6-[[3-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-, pentasodium salt"
OC1C2C(C=C(C=1N=NC1C=CC3C(=CC=CC=3C=1S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)=CC(=CC=2NC(=O)C1=CC=CC(=C1)NC1N=C(F)N=C(F)C=1Cl)S(O)(=O)=O,3500.0,0.0,0.0,4.0,901.238,31.0,14.0,OC1C2C(C=C(C=1N=NC1C=CC3C(=CC=CC=3C=1S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)=CC(=CC=2NC(=O)C1=CC=CC(=C1)NC1N=C(F)N=C(F)C=1Cl)S(O)(=O)=O,3.5440680443502757,"1,5-Naphthalenedisulfonic acid, 2-[[8-[[3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]benzoyl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-, tetrasodium salt"
OC1C2C=CC(Br)=C(O)C=2C=CC=1Br,3200.0,4.0,2.0,0.0,317.964,10.0,2.0,OC1C2C=CC(Br)=C(O)C=2C=CC=1Br,3.505149978319906,"1,5-Naphthalenediol, 2,6-dibromo-"
OC1C2OC3OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(OC6OC(CO)C(OC7OC(CO)C(OC(OC2CO)C1O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O,10000.0,0.0,1.0,3.0,972.8460000000013,36.0,30.0,OC1C2OC3OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(OC6OC(CO)C(OC7OC(CO)C(OC(OC2CO)C1O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O,4.0,alpha-Cyclodextrin
OC1C2OC3OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(OC6OC(CO)C(OC7OC(CO)C(OC8OC(CO)C(OC(OC2CO)C1O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O,10001.0,0.0,1.0,3.0,1134.9870000000014,42.0,35.0,OC1C2OC3OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(OC6OC(CO)C(OC7OC(CO)C(OC8OC(CO)C(OC(OC2CO)C1O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O,4.000043427276863,beta-Cyclodextrin hydrate
OC1C2OC3OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(OC6OC(CO)C(OC7OC(CO)C(OC8OC(CO)C(OC9OC(CO)C(OC(OC2CO)C1O)C(O)C9O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O,8000.0,0.0,1.0,3.0,1297.1280000000015,48.0,40.0,OC1C2OC3OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(OC6OC(CO)C(OC7OC(CO)C(OC8OC(CO)C(OC9OC(CO)C(OC(OC2CO)C1O)C(O)C9O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O,3.9030899869919438,gamma-Cyclodextrin
OC1C2OC=CC=2C=C2C=CC(=O)OC2=1,480.0,4.0,2.0,0.0,202.16499999999996,11.0,4.0,OC1C2OC=CC=2C=C2C=CC(=O)OC2=1,2.681241237375587,Xanthotoxol
OC1C=C(C=C(O)C=1O)C(=O)C1=CC=C(O)C(O)=C1O,1425.0,4.0,2.0,0.0,278.216,13.0,7.0,OC1C=C(C=C(O)C=1O)C(=O)C1=CC=C(O)C(O)=C1O,3.153814864344529,Exifone
OC1C=C(C=C2C=C(C(N=NC3C=C(Cl)C=CC=3O)=C(O)C=12)S(O)(=O)=O)S(O)(=O)=O,7500.0,4.0,0.0,0.0,474.85600000000017,16.0,9.0,OC1C=C(C=C2C=C(C(N=NC3C=C(Cl)C=CC=3O)=C(O)C=12)S(O)(=O)=O)S(O)(=O)=O,3.8750612633917,"2,7-Naphthalenedisulfonic acid, 3-[2-(5-chloro-2-hydroxyphenyl)diazenyl]-4,5-dihydroxy-, sodium salt (1:2)"
OC1C=C(C=C2C=C(C=C(N=NC3C=CC(NC4C=CC=CC=4)=C4C(=CC=CC=34)S(O)(=O)=O)C=12)S(O)(=O)=O)S(O)(=O)=O,7500.0,2.0,0.0,2.0,629.6500000000003,26.0,10.0,OC1C=C(C=C2C=C(C=C(N=NC3C=CC(NC4C=CC=CC=4)=C4C(=CC=CC=34)S(O)(=O)=O)C=12)S(O)(=O)=O)S(O)(=O)=O,3.8750612633917,Anazolene sodium
OC1C=C(C=CC=1)NC1C=CC=CC=1,3500.0,4.0,2.0,0.0,185.22600000000003,12.0,1.0,OC1C=C(C=CC=1)NC1C=CC=CC=1,3.5440680443502757,3-Hydroxy-N-phenylaniline
OC1C=C(C=CC=1)OC1C=CC=CC=1,1211.0,4.0,2.0,0.0,186.21,12.0,2.0,OC1C=C(C=CC=1)OC1C=CC=CC=1,3.0831441431430524,"Phenol, 3-phenoxy-"
OC1C=C(Cl)C(Br)=CC=1Cl,1350.0,3.0,2.0,0.0,241.899,6.0,1.0,OC1C=C(Cl)C(Br)=CC=1Cl,3.130333768495006,"4-Bromo-2,5-dichlorophenol"
OC1C=C(Cl)C(Cl)=C(Cl)C=1Cl,140.0,3.0,1.0,0.0,231.893,6.0,1.0,OC1C=C(Cl)C(Cl)=C(Cl)C=1Cl,2.146128035678238,"2,3,4,5-Tetrachlorophenol"
OC1C=C(Cl)C(Cl)=CC=1Cl,1621.5,3.0,2.0,0.0,197.448,6.0,1.0,OC1C=C(Cl)C(Cl)=CC=1Cl,3.2099169530089915,"2,4,5-Trichlorophenol sodium salt"
OC1C=C(Cl)C(NC2=CC=CC=C2CC(O)=O)=C(Cl)C=1,190.0,4.0,2.0,0.0,312.15200000000004,14.0,3.0,OC1C=C(Cl)C(NC2=CC=CC=C2CC(O)=O)=C(Cl)C=1,2.278753600952829,4'-Hydroxydiclofenac
OC1C=C(Cl)C=CC=1OC1=CC=C(Cl)C=C1Cl,3700.0,4.0,2.0,1.0,289.54499999999996,12.0,2.0,OC1C=C(Cl)C=CC=1OC1=CC=C(Cl)C=C1Cl,3.568201724066995,Triclosan
OC1C=C(Cl)C=CC=1OC1C=CC(Cl)=CC=1,3500.0,4.0,2.0,0.0,255.1,12.0,2.0,OC1C=C(Cl)C=CC=1OC1C=CC(Cl)=CC=1,3.5440680443502757,Soneclosan
OC1C=C(O)C(=CC=1)C(=O)C1C=CC=CC=1,8600.0,4.0,2.0,0.0,214.22,13.0,3.0,OC1C=C(O)C(=CC=1)C(=O)C1C=CC=CC=1,3.934498451243568,"2,4-Dihydroxybenzophenone"
OC1C=C(O)C(=CC=1)C(O)=O,3327.0,1.0,2.0,0.0,154.12099999999998,7.0,4.0,OC1C=C(O)C(=CC=1)C(O)=O,3.5220528008688223,"2,4-Dihydroxybenzoic acid"
OC1C=C(O)C(Cl)=CC=1,369.0,1.0,2.0,0.0,144.55700000000002,6.0,2.0,OC1C=C(O)C(Cl)=CC=1,2.56702636615906,4-Chlororesorcinol
OC1C=C(O)C2=C(C=1)OC(C1=CC(O)=C(O)C=C1)C(=O)C2=O,161.0,4.0,3.0,0.0,302.23800000000006,15.0,7.0,OC1C=C(O)C2=C(C=1)OC(C1=CC(O)=C(O)C=C1)C(=O)C2=O,2.2068258760318495,Quercetin dihydrate
OC1C=C(O)C=C(O)C=1,4000.0,1.0,2.0,0.0,126.11099999999996,6.0,3.0,OC1C=C(O)C=C(O)C=1,3.6020599913279625,"1,3,5-Trihydroxybenzene dihydrate"
OC1C=C(O)C=CC=1C(=O)C1=CC=C(O)C=C1O,1220.0,4.0,2.0,0.0,246.218,13.0,5.0,OC1C=C(O)C=CC=1C(=O)C1=CC=C(O)C=C1O,3.0863598306747484,"2,2',4,4'-Tetrahydroxybenzophenone"
OC1C=C(O)N=CN=1,2751.0,1.0,2.0,0.0,112.088,4.0,2.0,OC1C=C(O)N=CN=1,3.4394905903896835,6-Hydroxy-4(1H)-pyrimidinone
OC1C=C2C=CC=CC2=CC=1,2120.0,2.0,2.0,0.0,144.17299999999997,10.0,1.0,OC1C=C2C=CC=CC2=CC=1,3.326335860928751,"2-Naphthalenol, potassium salt"
OC1C=C2C=CC=CC2=CC=1C(=O)NC1C=C2NC(=O)NC2=CC=1,3500.0,4.0,3.0,0.0,319.32000000000005,18.0,3.0,OC1C=C2C=CC=CC2=CC=1C(=O)NC1C=C2NC(=O)NC2=CC=1,3.5440680443502757,"2-Naphthalenecarboxamide, N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-"
OC1C=C2C=CC=CC2=CC=1C(=O)NC1C=CC(Cl)=CC=1,6251.0,4.0,2.0,0.0,297.74100000000004,17.0,2.0,OC1C=C2C=CC=CC2=CC=1C(=O)NC1C=CC(Cl)=CC=1,3.7959494989028033,"2-Naphthalenecarboxamide, N-(4-chlorophenyl)-3-hydroxy-, monosodium salt"
OC1C=C2N=C(NC2=CC=1Cl)C(F)(F)F,55.456,3.0,2.0,0.0,236.58,8.0,1.0,OC1C=C2N=C(NC2=CC=1Cl)C(F)(F)F,1.743948541033823,"Benzimidazol-6-ol, 5-chloro-2-(trifluoromethyl)-"
OC1C=CC(=CC=1)C(=O)C1C=CC=CC=1,10001.0,4.0,2.0,0.0,198.221,13.0,2.0,OC1C=CC(=CC=1)C(=O)C1C=CC=CC=1,4.000043427276863,4-Hydroxybenzophenone
OC1C=CC(=CC=1)C(=O)OC1C=CC=CC=1,3500.0,4.0,2.0,0.0,214.21999999999997,13.0,3.0,OC1C=CC(=CC=1)C(=O)OC1C=CC=CC=1,3.5440680443502757,Phenylparaben
OC1C=CC(=CC=1)C(C1C=CC(O)=CC=1)(C(F)(F)F)C(F)(F)F,3400.0,4.0,2.0,0.0,336.23099999999994,15.0,2.0,OC1C=CC(=CC=1)C(C1C=CC(O)=CC=1)(C(F)(F)F)C(F)(F)F,3.531478917042255,"Potassium p-(2,2,2-trifluoro-1-(p-hydroxyphenyl)-1-(trifluoromethyl)ethyl)phenolate"
OC1C=CC(=CC=1)C(O)=O,4812.0,1.0,2.0,0.0,138.122,7.0,3.0,OC1C=CC(=CC=1)C(O)=O,3.6823256186678073,Potassium paraben
OC1C=CC(=CC=1)C1(C(=O)NC2=CC=CC=C12)C1C=CC(O)=CC=1,90.0,4.0,3.0,0.0,317.344,20.0,3.0,OC1C=CC(=CC=1)C1(C(=O)NC2=CC=CC=C12)C1C=CC(O)=CC=1,1.954242509439325,Oxyphenisatin
OC1C=CC(=CC=1)C1(OC2=CC=CC=C2NC1=O)C1C=CC(O)=CC=1,7000.0,4.0,3.0,0.0,333.343,20.0,4.0,OC1C=CC(=CC=1)C1(OC2=CC=CC=C2NC1=O)C1C=CC(O)=CC=1,3.845098040014257,Bisoxatin
OC1C=CC(=CC=1)C1C=CC(O)=CC=1,4210.0,4.0,2.0,0.0,186.21,12.0,2.0,OC1C=CC(=CC=1)C1C=CC(O)=CC=1,3.6242820958356683,"4,4'-Biphenyldiol"
OC1C=CC(=CC=1)C1C=CC=CC=1,6251.0,4.0,2.0,0.0,170.211,12.0,1.0,OC1C=CC(=CC=1)C1C=CC=CC=1,3.7959494989028033,p-Phenylphenol sodium
OC1C=CC(=CC=1)NC(=O)C1=CC=CC=C1O,6702.0,4.0,2.0,0.0,229.235,13.0,3.0,OC1C=CC(=CC=1)NC(=O)C1=CC=CC=C1O,3.8262044234992527,Osalmid
OC1C=CC(=CC=1)NC1C=C2C=CC=CC2=CC=1,5200.0,4.0,1.0,0.0,235.28600000000003,16.0,1.0,OC1C=CC(=CC=1)NC1C=C2C=CC=CC2=CC=1,3.716003343634799,4-(2-Naphthylamino)phenol
OC1C=CC(=CC=1)NC1C=CC=CC=1,3300.0,4.0,2.0,0.0,185.22600000000003,12.0,1.0,OC1C=CC(=CC=1)NC1C=CC=CC=1,3.5185139398778875,4-Anilinophenol
OC1C=CC(=CC=1)S(=O)(=O)C1C=CC(O)=CC=1,4124.0,4.0,3.0,0.0,250.275,12.0,4.0,OC1C=CC(=CC=1)S(=O)(=O)C1C=CC(O)=CC=1,3.6153186566114788,"Phenol, 4,4'-sulfonylbis-, disodium salt"
OC1C=CC(=CC=1)S(O)(=O)=O,2455.0,2.0,2.0,0.0,174.177,6.0,4.0,OC1C=CC(=CC=1)S(O)(=O)=O,3.3900514964589874,Monosodium 4-phenolsulfonate
OC1C=CC(=CC=1)SC1C=CC(O)=CC=1,3362.0,4.0,2.0,0.0,218.27700000000004,12.0,2.0,OC1C=CC(=CC=1)SC1C=CC(O)=CC=1,3.526597709103452,"4,4'-Thiodiphenol"
OC1C=CC(=CC=1C(O)=O)C1C=CC(F)=CC=1F,392.0,4.0,3.0,0.0,250.19999999999996,13.0,3.0,OC1C=CC(=CC=1C(O)=O)C1C=CC(F)=CC=1F,2.593286067020457,Diflunisal
OC1C=CC(=CC=1CN1CCCC1)C1C=CC=CC=1,30.0,4.0,2.0,0.0,253.3449999999999,17.0,1.0,OC1C=CC(=CC=1CN1CCCC1)C1C=CC=CC=1,1.4771212547196624,
OC1C=CC(=CC=1CN1CCOCC1)C1C=CC=CC=1,25.0,4.0,3.0,0.0,269.344,17.0,2.0,OC1C=CC(=CC=1CN1CCOCC1)C1C=CC=CC=1,1.3979400086720377,"(1,1'-Biphenyl)-4-ol, 3-(4-morpholinylmethyl)-"
OC1C=CC(=CC=1N=NC1C=CC2C(=CC=CC=2O)C=1O)S(O)(=O)=O,7500.0,4.0,1.0,0.0,360.347,16.0,6.0,OC1C=CC(=CC=1N=NC1C=CC2C(=CC=CC=2O)C=1O)S(O)(=O)=O,3.8750612633917,"C.I. Mordant Black 9, monosodium salt"
OC1C=CC(=O)N=N1,3900.0,1.0,2.0,0.0,112.088,4.0,2.0,OC1C=CC(=O)N=N1,3.591064607026499,Maleic hydrazide diethanolamine
OC1C=CC(Br)=CC=1Br,50.0,3.0,2.0,0.0,251.905,6.0,1.0,OC1C=CC(Br)=CC=1Br,1.6989700043360187,"2,4-Dibromophenol"
OC1C=CC(CC2C=CC(O)=CC=2)=CC=1,4950.0,4.0,2.0,0.0,200.237,13.0,2.0,OC1C=CC(CC2C=CC(O)=CC=2)=CC=1,3.694605198933569,Bis(4-hydroxyphenyl)methane
OC1C=CC(Cl)=CC=1C(O)=O,250.0,3.0,2.0,0.0,172.567,7.0,3.0,OC1C=CC(Cl)=CC=1C(O)=O,2.3979400086720375,"Benzoic acid, 5-chloro-2-hydroxy-"
OC1C=CC(Cl)=CC=1CC1C=CC=CC=1,4147.0,4.0,1.0,0.0,218.683,13.0,1.0,OC1C=CC(Cl)=CC=1CC1C=CC=CC=1,3.617734035364018,Clorophene
OC1C=CC(Cl)=CC=1Cl,1390.0,2.0,2.0,0.0,163.003,6.0,1.0,OC1C=CC(Cl)=CC=1Cl,3.143014800254095,"Phenol, 2,4-dichloro-, sodium salt"
OC1C=CC(NC2C(Cl)=CC=CC=2Cl)=C(CC(O)=O)C=1,1430.0,4.0,2.0,0.0,312.15200000000004,14.0,3.0,OC1C=CC(NC2C(Cl)=CC=CC=2Cl)=C(CC(O)=O)C=1,3.155336037465062,5-Hydroxydiclofenac
OC1C=CC(NC2C=C(C=CC=2)C(F)(F)F)=C(C=1)C(O)=O,1000.0,4.0,2.0,0.0,297.23199999999997,14.0,3.0,OC1C=CC(NC2C=C(C=CC=2)C(F)(F)F)=C(C=1)C(O)=O,3.0,5-Hydroxyflufenamic acid
OC1C=CC(O)=C2C=1C(=O)C1C(=C(Cl)C=CC=1Cl)C2=O,7500.0,4.0,3.0,0.0,309.104,14.0,4.0,OC1C=CC(O)=C2C=1C(=O)C1C(=C(Cl)C=CC=1Cl)C2=O,3.8750612633917,"1,4-Dichloro-5,8-dihydroxyanthraquinone"
OC1C=CC(O)=C2N=C(NC=12)C(F)(F)F,29.0,4.0,2.0,0.0,218.13399999999996,8.0,2.0,OC1C=CC(O)=C2N=C(NC=12)C(F)(F)F,1.462397997898956,"Benzimidazole-4,7-diol, 2-(trifluoromethyl)-"
OC1C=CC(O)=CC=1,331.825,1.0,2.0,0.0,110.11199999999998,6.0,2.0,OC1C=CC(O)=CC=1,2.5209091030657844,Hydroquinone
OC1C=CC2=CC(=CC=C2C=1N=NC1=CC=C(N=NC2C=C(C(=CC=2)NC2C=CC=CC=2)S(O)(=O)=O)C2C=CC=CC=21)S(O)(=O)=O,3500.0,1.0,0.0,2.0,653.6980000000002,32.0,7.0,OC1C=CC2=CC(=CC=C2C=1N=NC1=CC=C(N=NC2C=C(C(=CC=2)NC2C=CC=CC=2)S(O)(=O)=O)C2C=CC=CC=21)S(O)(=O)=O,3.5440680443502757,"C.I. Acid Black 26, disodium salt"
OC1C=CC2=CC(=CC=C2C=1N=NC1C=CC(=CC=1)S(O)(=O)=O)S(O)(=O)=O,5563.0,4.0,2.0,0.0,408.4130000000001,16.0,7.0,OC1C=CC2=CC(=CC=C2C=1N=NC1C=CC(=CC=1)S(O)(=O)=O)S(O)(=O)=O,3.745309059940828,FD&C Yellow 6
OC1C=CC2=CC=CC=C2C=1Cl,2310.0,3.0,2.0,0.0,178.61799999999997,10.0,1.0,OC1C=CC2=CC=CC=C2C=1Cl,3.3636119798921444,1-Chloro-2-naphthol
OC1C=CC2=CC=CC=C2C=1N=NC1=CC=C(C2=CC=CC=C12)S(O)(=O)=O,3500.0,4.0,1.0,1.0,378.4090000000001,20.0,4.0,OC1C=CC2=CC=CC=C2C=1N=NC1=CC=C(C2=CC=CC=C12)S(O)(=O)=O,3.5440680443502757,"C.I. Acid Red 88, monosodium salt"
OC1C=CC2=CC=CC=C2C=1N=NC1C=CC(=CC=1)N=NC1C=CC(=CC=1)S(O)(=O)=O,7736.0,3.0,1.0,1.0,432.4610000000001,22.0,4.0,OC1C=CC2=CC=CC=C2C=1N=NC1C=CC(=CC=1)N=NC1C=CC(=CC=1)S(O)(=O)=O,3.8885164610749454,"Benzenesulfonic acid, 4-[2-[4-[2-(2-hydroxy-1-naphthalenyl)diazenyl]phenyl]diazenyl]-, sodium salt (1:1)"
OC1C=CC2=CC=CC=C2C=1N=NC1C=CC(=CC=1)S(O)(=O)=O,3830.0,4.0,2.0,0.0,328.34900000000005,16.0,4.0,OC1C=CC2=CC=CC=C2C=1N=NC1C=CC(=CC=1)S(O)(=O)=O,3.583198773968623,C.I. Acid Orange 7 parent
OC1C=CC2=CC=CC=C2C=1S(O)(=O)=O,3170.0,4.0,2.0,0.0,224.237,10.0,4.0,OC1C=CC2=CC=CC=C2C=1S(O)(=O)=O,3.5010592622177517,"1-Naphthalenesulfonic acid, 2-hydroxy-, monosodium salt"
OC1C=CC2C=C(C=CC=2C=1)C(O)=O,1016.0,4.0,2.0,0.0,188.182,11.0,3.0,OC1C=CC2C=C(C=CC=2C=1)C(O)=O,3.0068937079479006,6-Hydroxy-2-naphthoic acid
OC1C=CC=C2C=C3C=CC=C(O)C3=C(O)C=12,3216.0,4.0,2.0,0.0,226.231,14.0,3.0,OC1C=CC=C2C=C3C=CC=C(O)C3=C(O)C=12,3.5073160400764136,"1,8,9-Trihydroxyanthracene"
OC1C=CC=CC=1,3984.0,1.0,2.0,0.0,94.113,6.0,1.0,OC1C=CC=CC=1,3.600319329751661,Potassium phenoxide
OC1C=CC=CC=1C(=O)NC1NC=NN=1,3500.0,4.0,2.0,0.0,204.189,9.0,2.0,OC1C=CC=CC=1C(=O)NC1NC=NN=1,3.5440680443502757,"2-Hydroxy-N-(4H-1,2,4-triazol-3-yl)benzamide"
OC1C=CC=CC=1C(=O)NO,7500.0,1.0,2.0,0.0,153.13699999999997,7.0,3.0,OC1C=CC=CC=1C(=O)NO,3.8750612633917,Salicylhydroxamic acid
OC1C=CC=CC=1C(=O)OC1C=CC=CC=1,3000.0,4.0,2.0,0.0,214.21999999999997,13.0,3.0,OC1C=CC=CC=1C(=O)OC1C=CC=CC=1,3.4771212547196626,Phenyl salicylate
OC1C=CC=CC=1C(=O)OC1CCCCC1,3179.0,4.0,2.0,0.0,220.26800000000003,13.0,3.0,OC1C=CC=CC=1C(=O)OC1CCCCC1,3.5022905279147727,Cyclohexyl 2-hydroxybenzoate
OC1C=CC=CC=1C(=O)OCC1C=CC=CC=1,2227.0,4.0,2.0,0.0,228.247,14.0,3.0,OC1C=CC=CC=1C(=O)OCC1C=CC=CC=1,3.347720217034038,Benzyl salicylate
OC1C=CC=CC=1C(O)=O,1230.5,1.0,2.0,0.0,138.122,7.0,3.0,OC1C=CC=CC=1C(O)=O,3.0900816180388215,"Benzoic acid, 2-hydroxy-, sodium salt (1:2)"
OC1C=CC=CC=1C1C=CC=CC=1,1250.0,4.0,2.0,0.0,170.211,12.0,1.0,OC1C=CC=CC=1C1C=CC=CC=1,3.0969100130080562,Potassium biphenyl-2-olate
OC1C=CC=CC=1O,280.0,1.0,2.0,0.0,110.11199999999998,6.0,2.0,OC1C=CC=CC=1O,2.4471580313422194,Catechol
OC1CC(OC1CO)N1C=C(Br)C(=O)NC1=O,8400.0,3.0,3.0,0.0,307.1,9.0,5.0,OC1CC(OC1CO)N1C=C(Br)C(=O)NC1=O,3.9242792860618816,5-Bromo-2'-deoxyuridine
OC1CC(OC1CO)N1C=C(C(=O)NC1=O)C(F)(F)F,4380.0,3.0,3.0,0.0,296.20099999999996,10.0,5.0,OC1CC(OC1CO)N1C=C(C(=O)NC1=O)C(F)(F)F,3.6414741105040997,Trifluridine
OC1CC(OC1CO)N1C=C(F)C(=O)NC1=O,215.0,3.0,2.0,0.0,246.194,9.0,5.0,OC1CC(OC1CO)N1C=C(F)C(=O)NC1=O,2.3324384599156054,Floxuridine
OC1CC2=C(C=C(O)C=C2O)OC1C1=CC(O)=C(O)C=C1,10000.0,4.0,3.0,0.0,290.271,15.0,6.0,OC1CC2=C(C=C(O)C=C2O)OC1C1=CC(O)=C(O)C=C1,4.0,Cianidanol
OC1CC2CCCCC2CC1,7500.0,3.0,2.0,0.0,154.253,10.0,1.0,OC1CC2CCCCC2CC1,3.8750612633917,CERAPP_28714
OC1CCC(=O)C2C=1C(=O)C1C=CC=CC=1C2=O,3500.0,4.0,2.0,0.0,242.23,14.0,4.0,OC1CCC(=O)C2C=1C(=O)C1C=CC=CC=1C2=O,3.5440680443502757,"9,10-Anthracenedione, 2,3-dihydro-1,4-dihydroxy-"
OC1CCC2C(=CC=CC=2N=1)OCCCN1CCC(CC2C=CC=CC=2)CC1,1000.0,4.0,1.0,0.0,378.51600000000013,24.0,2.0,OC1CCC2C(=CC=CC=2N=1)OCCCN1CCC(CC2C=CC=CC=2)CC1,3.0,
OC1CCC2C=CC(=CC=2N=1)OCC(O)CN1CCC(CC1)C1C=CC=CC=1,1000.0,4.0,1.0,0.0,380.48800000000017,23.0,3.0,OC1CCC2C=CC(=CC=2N=1)OCC(O)CN1CCC(CC1)C1C=CC=CC=1,3.0,
OC1CCC2C=CC=CC=21,620.0,2.0,2.0,0.0,134.17799999999997,9.0,1.0,OC1CCC2C=CC=CC=21,2.792391689498254,
OC1CCCC2C=CC=CC=21,1620.0,3.0,2.0,0.0,148.20499999999998,10.0,1.0,OC1CCCC2C=CC=CC=21,3.2095150145426308,"1,2,3,4-Tetrahydronaphthalen-1-ol"
OC1CCCCC1,1550.0,1.0,2.0,0.0,100.161,6.0,1.0,OC1CCCCC1,3.1903316981702914,Cyclohexanol
OC1CCCCCCCCCCC1,3750.0,4.0,1.0,0.0,184.32299999999995,12.0,1.0,OC1CCCCCCCCCCC1,3.574031267727719,Cyclododecanol
OC1CCOC1=O,2751.0,0.0,2.0,0.0,102.08899999999998,4.0,3.0,OC1CCOC1=O,3.4394905903896835,3-hydroxydihydrofuran-2(3H)-one
OC1CN2CCC1CC2,2504.0,2.0,2.0,0.0,127.187,7.0,1.0,OC1CN2CCC1CC2,3.398634324538392,CERAPP_29581
OC1CNC(C1)C(O)=O,10001.0,0.0,2.0,0.0,131.131,5.0,3.0,OC1CNC(C1)C(O)=O,4.000043427276863,"L-Proline, 4-hydroxy-, (4R)-"
OC1COC(O)C(O)C1O,3675.0,1.0,2.0,0.0,150.13,5.0,5.0,OC1COC(O)C(O)C1O,3.5652573434202135,D-Xylose
OC1COC2C1OCC2O,10001.0,1.0,2.0,0.0,146.142,6.0,4.0,OC1COC2C1OCC2O,4.000043427276863,Isosorbide
OC1COCC1,2751.0,1.0,2.0,0.0,88.106,4.0,2.0,OC1COCC1,3.4394905903896835,(3S)-oxolan-3-ol
OC1N=C(C2=CC(Cl)=CC=C2NC1=O)C1=CC=CC=C1Cl,4500.0,4.0,3.0,0.0,321.163,15.0,2.0,OC1N=C(C2=CC(Cl)=CC=C2NC1=O)C1=CC=CC=C1Cl,3.6532125137753435,Lorazepam
OC1N=C(C2=CC(Cl)=CC=C2NC1=O)C1C=CC=CC=1,6126.0,4.0,3.0,0.0,286.718,15.0,2.0,OC1N=C(C2=CC(Cl)=CC=C2NC1=O)C1C=CC=CC=1,3.787176992470554,Oxazepam
OC1N=C(O)C=C(N=1)C(O)=O,10001.0,0.0,2.0,0.0,156.097,5.0,4.0,OC1N=C(O)C=C(N=1)C(O)=O,4.000043427276863,"4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, monopotassium salt"
OC1N=C(O)N=C(O)N=1,7600.0,0.0,2.0,0.0,129.075,3.0,3.0,OC1N=C(O)N=C(O)N=1,3.8808135922807914,Cyanuric acid
OC1NC2=CC=CC=C2N=1,2035.0,1.0,2.0,0.0,134.13799999999998,7.0,1.0,OC1NC2=CC=CC=C2N=1,3.3085644135612386,"2H-Benzimidazol-2-one, 1,3-dihydro-"
OC1OC(=O)C(Cl)=C1C(Cl)Cl,179.0,3.0,2.0,0.0,217.43499999999997,5.0,3.0,OC1OC(=O)C(Cl)=C1C(Cl)Cl,2.2528530309798933,3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone
OC1OC(C(O)C(O)C1O)C(O)=O,7500.0,2.0,2.0,0.0,194.139,6.0,7.0,OC1OC(C(O)C(O)C1O)C(O)=O,3.8750612633917,Sodium alginate
OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O,10001.0,3.0,2.0,2.0,342.297,12.0,11.0,OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O,4.000043427276863,Maltose
OC1OC2C(OC(=O)C2O)C1O,10001.0,2.0,2.0,0.0,176.124,6.0,6.0,OC1OC2C(OC(=O)C2O)C1O,4.000043427276863,D-Glucuronolactone
OC1OCC=C2OC(=O)C=C21,27.795,1.0,2.0,0.0,154.12099999999998,7.0,4.0,OC1OCC=C2OC(=O)C=C21,1.4439666783745788,Patulin
OC=O,1125.0,1.0,2.0,0.0,46.025,1.0,2.0,OC=O,3.0511525224473814,"Formic acid, cesium salt (1:1)"
OCC#CCO,124.0,0.0,2.0,0.0,86.08999999999999,4.0,2.0,OCC#CCO,2.093421685162235,"2-Butyne-1,4-diol"
OCC(Br)CBr,681.0,2.0,2.0,0.0,217.888,3.0,1.0,OCC(Br)CBr,2.833147111912785,"2,3-Dibromopropanol"
OCC(CBr)(CBr)CBr,3500.0,3.0,3.0,0.0,324.83799999999997,5.0,1.0,OCC(CBr)(CBr)CBr,3.5440680443502757,"3-Bromo-2,2-bis(bromomethyl)propanol"
OCC(CBr)(CBr)CO,2110.0,3.0,3.0,0.0,261.941,5.0,2.0,OCC(CBr)(CBr)CO,3.3242824552976926,"2,2-Bis(bromomethyl)-1,3-propanediol"
OCC(CCl)(CCl)CO,1285.0,2.0,2.0,0.0,173.039,5.0,2.0,OCC(CCl)(CCl)CO,3.1089031276673134,Loprodiol
OCC(CO)(CO)CO,8507.0,1.0,1.0,0.0,136.147,5.0,4.0,OCC(CO)(CO)CO,3.929776432804902,Pentaerythritol
OCC(CO)OC(=O)CS,224.5,2.0,2.0,0.0,166.19799999999998,5.0,4.0,OCC(CO)OC(=O)CS,2.351216345339342,"Acetic acid, mercapto-, monoester with 1,2,3-propanetriol"
OCC(COCC(CO)(CO)CO)(CO)CO,2751.0,3.0,2.0,0.0,254.2789999999999,10.0,7.0,OCC(COCC(CO)(CO)CO)(CO)CO,3.4394905903896835,Dipentaerythritol
OCC(COP(=O)(OCCCl)OCCCl)(COP(=O)(OCCCl)OCCCl)CO,4915.0,3.0,1.0,1.0,546.1010000000003,13.0,10.0,OCC(COP(=O)(OCCCl)OCCCl)(COP(=O)(OCCCl)OCCCl)CO,3.6915235221681546,"Phosphoric acid, 2,2-bis(hydroxymethyl)-1,3-propanediyl tetrakis(2-chloroethyl) ester"
OCC(Cl)C(Cl)CO,2830.0,1.0,2.0,0.0,159.012,4.0,2.0,OCC(Cl)C(Cl)CO,3.45178643552429,
OCC(Cl)CCl,90.0,1.0,2.0,0.0,128.986,3.0,1.0,OCC(Cl)CCl,1.954242509439325,"2,3-Dichloro-1-propanol"
OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,4400.0,4.0,0.0,0.0,432.098,9.0,1.0,OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F,3.6434526764861874,"1-Nonanol, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-"
OCC(F)(F)C(F)(F)C(F)(F)CO,1780.0,2.0,2.0,0.0,212.08899999999997,5.0,2.0,OCC(F)(F)C(F)(F)C(F)(F)CO,3.250420002308894,"1,5-Pentanediol, 2,2,3,3,4,4-hexafluoro-"
OCC(F)(F)C(F)(F)C(F)(F)F,3630.0,2.0,2.0,0.0,200.05299999999997,4.0,1.0,OCC(F)(F)C(F)(F)C(F)(F)F,3.5599066250361124,"1-Butanol, 2,2,3,3,4,4,4-heptafluoro-"
OCC(F)(F)C(F)(F)F,1887.0,1.0,2.0,0.0,150.046,3.0,1.0,OCC(F)(F)C(F)(F)F,3.2757719001649312,"1-Propanol, 2,2,3,3,3-pentafluoro-"
OCC(F)(F)F,181.0,1.0,2.0,0.0,100.03900000000002,2.0,1.0,OCC(F)(F)F,2.2576785748691846,"Ethanol, 2,2,2-trifluoro-, sodium salt"
OCC(O)=O,4597.5,0.0,2.0,0.0,76.051,2.0,3.0,OCC(O)=O,3.662521737910115,"Acetic acid, 2-hydroxy-, lithium salt (1:1)"
OCC(O)C(O)C(O)C(O)C(O)=O,10001.0,2.0,1.0,0.0,196.155,6.0,7.0,OCC(O)C(O)C(O)C(O)C(O)=O,4.000043427276863,D-Gluconic acid
OCC(O)C(O)C(O)C(O)C(O)C(O)=O,3643.0,3.0,1.0,0.0,226.181,7.0,8.0,OCC(O)C(O)C(O)C(O)C(O)C(O)=O,3.561459171241916,Ammonium glucoheptonate
OCC(O)C(O)C(O)C(O)C=O,10001.0,2.0,1.0,0.0,180.156,6.0,6.0,OCC(O)C(O)C(O)C(O)C=O,4.000043427276863,Maltodextrin
OCC(O)C1OC(=O)C(=O)C1O,8094.5,2.0,2.0,0.0,176.124,6.0,6.0,OCC(O)C1OC(=O)C(=O)C1O,3.9081900274010115,L-Ascorbic acid
OCC(O)C1OC2OC(OC2C1O)C(Cl)(Cl)Cl,400.0,3.0,3.0,0.0,309.52900000000005,8.0,6.0,OCC(O)C1OC2OC(OC2C1O)C(Cl)(Cl)Cl,2.6020599913279625,Chloralose
OCC(O)CCl,26.0,0.0,2.0,0.0,110.54000000000002,3.0,2.0,OCC(O)CCl,1.414973347970818,"3-Chloro-1,2-propanediol"
OCC(O)CN1CCN(CC1)C1C=CC=CC=1,750.0,4.0,2.0,0.0,236.31500000000003,13.0,2.0,OCC(O)CN1CCN(CC1)C1C=CC=CC=1,2.8750612633917,Dropropizine
OCC(O)COC(=O)C1C=CC=CC=1NC1=CC=NC2C(=CC=CC1=2)C(F)(F)F,535.0,4.0,0.0,0.0,406.36000000000007,20.0,4.0,OCC(O)COC(=O)C1C=CC=CC=1NC1=CC=NC2C(=CC=CC1=2)C(F)(F)F,2.7283537820212285,Floctafenine
OCC(O)COC(=O)C1C=CC=CC=1NC1C=CN=C2C=C(Cl)C=CC2=1,2300.0,4.0,1.0,0.0,372.8080000000001,19.0,4.0,OCC(O)COC(=O)C1C=CC=CC=1NC1C=CN=C2C=C(Cl)C=CC2=1,3.361727836017593,Glafenine hydrochloride
OCC(O)COC1=NN(CC2C=CC=CC=2)C2=CC=CC=C21,3200.0,4.0,2.0,0.0,298.34200000000004,17.0,3.0,OCC(O)COC1=NN(CC2C=CC=CC=2)C2=CC=CC=C21,3.505149978319906,
OCC(O)COC1C=CC(Cl)=CC=1,3000.0,4.0,2.0,0.0,202.63700000000003,9.0,3.0,OCC(O)COC1C=CC(Cl)=CC=1,3.4771212547196626,Chlorphenesin
OCC(O)CS,648.0,0.0,2.0,0.0,108.16200000000002,3.0,2.0,OCC(O)CS,2.8115750058705933,1-Thioglycerol
OCC1(CC=CCC1)CO,1750.0,2.0,2.0,0.0,142.19799999999995,8.0,2.0,OCC1(CC=CCC1)CO,3.2430380486862944,"3-Cyclohexene-1,1-dimethanol"
OCC1(O)CC(NC(CO)CO)C(O)C(O)C1O,10001.0,3.0,2.0,0.0,267.278,10.0,7.0,OCC1(O)CC(NC(CO)CO)C(O)C(O)C1O,4.000043427276863,Voglibose
OCC1=CC(N=NC2=CC=C(C3=CC=CC=C32)S(O)(=O)=O)=C(O)C(N=NC2=CC=C(C3=CC=CC=C23)S(O)(=O)=O)=C1O,4376.0,1.0,0.0,4.0,608.6100000000002,27.0,9.0,OCC1=CC(N=NC2=CC=C(C3=CC=CC=C32)S(O)(=O)=O)=C(O)C(N=NC2=CC=C(C3=CC=CC=C23)S(O)(=O)=O)=C1O,3.641077313325374,Chocolate Brown HT
OCC1=CC=C(C=O)O1,2500.0,1.0,2.0,0.0,126.11099999999998,6.0,3.0,OCC1=CC=C(C=O)O1,3.3979400086720375,5-(Hydroxymethyl)-2-furfural
OCC1=CC=CO1,226.0,1.0,2.0,0.0,98.10099999999998,5.0,2.0,OCC1=CC=CO1,2.3541084391474008,"Formaldehyde, polymer with 2-furanmethanol"
OCC1=CN=CS1,2751.0,1.0,2.0,0.0,115.15699999999998,4.0,1.0,OCC1=CN=CS1,3.4394905903896835,5-Hydroxymethylthiazole
OCC1C(CO)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl,10001.0,4.0,2.0,0.0,360.879,9.0,2.0,OCC1C(CO)C2(Cl)C(Cl)=C(Cl)C1(Cl)C2(Cl)Cl,4.000043427276863,CERAPP_29948
OCC1C(F)=C(F)C(F)=C(F)C=1F,900.0,2.0,2.0,0.0,198.08999999999995,7.0,1.0,OCC1C(F)=C(F)C(F)=C(F)C=1F,2.9542425094393248,"2,3,4,5,6-Pentafluorobenzyl alcohol"
OCC1C=C(C=CC=1)OC1C=CC=CC=1,1496.0,4.0,2.0,0.0,200.237,13.0,2.0,OCC1C=C(C=CC=1)OC1C=CC=CC=1,3.1749315935284423,3-Phenoxybenzenemethanol
OCC1C=CC(Br)=CC=1,3500.0,3.0,2.0,0.0,187.036,7.0,1.0,OCC1C=CC(Br)=CC=1,3.5440680443502757,4-Bromobenzyl alcohol
OCC1C=CC(Cl)=CC=1Cl,4450.0,3.0,2.0,0.0,177.03,7.0,1.0,OCC1C=CC(Cl)=CC=1Cl,3.6483600109809315,"2,4-Dichlorobenzyl alcohol"
OCC1C=CC=CC=1,1466.0,1.0,2.0,0.0,108.13999999999996,7.0,1.0,OCC1C=CC=CC=1,3.166133970305109,Benzyl alcohol
OCC1C=NC=CC=1,3500.0,1.0,2.0,0.0,109.128,6.0,1.0,OCC1C=NC=CC=1,3.5440680443502757,Nicotinyl alcohol
OCC1CC2CC1C1CCC(CO)C21,2250.0,4.0,2.0,0.0,196.29,12.0,2.0,OCC1CC2CC1C1CCC(CO)C21,3.3521825181113627,Tricyclodecanedimethanol
OCC1CC2CC1CC2,1600.0,2.0,2.0,0.0,126.199,8.0,1.0,OCC1CC2CC1CC2,3.2041199826559246,2-Norbornane methanol
OCC1CCC(CC1)CO,3388.0,2.0,2.0,0.0,144.21399999999997,8.0,2.0,OCC1CCC(CC1)CO,3.5299434016586693,"1,4-Cyclohexanedimethanol"
OCC1CCC(O1)N1C=NC2C(=O)NC=NC1=2,3500.0,4.0,2.0,0.0,236.23099999999997,10.0,3.0,OCC1CCC(O1)N1C=NC2C(=O)NC=NC1=2,3.5440680443502757,"2',3'-Dideoxyinosine"
OCC1CCCCO1,3730.0,2.0,2.0,0.0,116.16,6.0,2.0,OCC1CCCCO1,3.571708831808688,
OCC1CCCO1,2325.0,1.0,2.0,0.0,102.133,5.0,2.0,OCC1CCCO1,3.3664229572259727,Tetrahydrofurfuryl alcohol
OCC1CN2CCN1CC2,2751.0,1.0,2.0,0.0,142.202,7.0,1.0,OCC1CN2CCN1CC2,3.4394905903896835,"1,4-diazabicyclo[2.2.2]oct-2-ylmethanol"
OCC1CO1,585.0,0.0,2.0,0.0,74.07900000000001,3.0,2.0,OCC1CO1,2.7671558660821804,Glycidol
OCC1COC(=O)O1,7500.0,0.0,2.0,0.0,118.08799999999998,4.0,4.0,OCC1COC(=O)O1,3.8750612633917,CERAPP_28850
OCC1COC(CC2C=CC=CC=2)O1,1720.0,4.0,2.0,0.0,194.23,11.0,3.0,OCC1COC(CC2C=CC=CC=2)O1,3.2355284469075487,
OCC1OC(C(O)C1O)N1C=C(C=CBr)C(=O)NC1=O,8000.0,3.0,3.0,0.0,349.137,11.0,6.0,OCC1OC(C(O)C1O)N1C=C(C=CBr)C(=O)NC1=O,3.9030899869919438,Bravavir
OCC1OC(C(O)C1O)N1C=NC2C(S)=NC=NC1=2,900.0,3.0,3.0,0.0,284.297,10.0,4.0,OCC1OC(C(O)C1O)N1C=NC2C(S)=NC=NC1=2,2.9542425094393248,Thioinosine
OCC1OC(OC2(CCl)OC(CCl)C(O)C2O)C(O)C(O)C1Cl,10000.0,3.0,1.0,0.0,397.635,12.0,8.0,OCC1OC(OC2(CCl)OC(CCl)C(O)C2O)C(O)C(O)C1Cl,4.0,Sucralose
OCC1OC(OC2C=C(O)C=C(O)C=2C(=O)CCC2C=CC(O)=CC=2)C(O)C(O)C1O,7500.0,4.0,1.0,0.0,436.4130000000001,21.0,10.0,OCC1OC(OC2C=C(O)C=C(O)C=2C(=O)CCC2C=CC(O)=CC=2)C(O)C(O)C1O,3.8750612633917,Phlorizin
OCC=CC1C=CC=CC=1,3500.0,3.0,2.0,0.0,134.178,9.0,1.0,OCC=CC1C=CC=CC=1,3.5440680443502757,3-Phenyl-2-propen-1-ol
OCC=CCO,1250.0,0.0,2.0,0.0,88.10600000000001,4.0,2.0,OCC=CCO,3.0969100130080562,"2-Butene-1,4-diol"
OCC=CCl,102.0,1.0,2.0,0.0,92.525,3.0,1.0,OCC=CCl,2.0086001717619175,3-Chloro-2-propen-1-ol
OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,3500.0,4.0,1.0,0.0,364.10099999999994,8.0,1.0,OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,3.5440680443502757,"3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol"
OCCC1C=CC=CC=1,1659.0,1.0,2.0,0.0,122.16699999999996,8.0,1.0,OCCC1C=CC=CC=1,3.219846386024361,2-Phenylethanol
OCCC1C=CC=CN=1,4934.0,1.0,2.0,0.0,123.15499999999996,7.0,1.0,OCCC1C=CC=CN=1,3.6931991451537174,2-(Pyridin-2-yl)ethanol
OCCC1C=CN=CC=1,3500.0,1.0,2.0,0.0,123.15499999999996,7.0,1.0,OCCC1C=CN=CC=1,3.5440680443502757,2-(Pyridin-4-yl)ethanol
OCCC1CCCCC1,940.0,2.0,2.0,0.0,128.215,8.0,1.0,OCCC1CCCCC1,2.9731278535996988,Cyclohexaneethanol
OCCC1CCN(CCC=C2C3=CC(=CC=C3SC3C=C(F)C=CC2=3)C(F)(F)F)CC1,1.5,3.0,1.0,1.0,451.52900000000017,24.0,1.0,OCCC1CCN(CCC=C2C3=CC(=CC=C3SC3C=C(F)C=CC2=3)C(F)(F)F)CC1,0.17609125905568124,
OCCCC(O)=O,9690.0,1.0,2.0,0.0,104.105,4.0,3.0,OCCCC(O)=O,3.986323777050765,Sodium 4-hydroxybutanoate
OCCCC1C=CC=CC=1,2300.0,3.0,2.0,0.0,136.194,9.0,1.0,OCCCC1C=CC=CC=1,3.361727836017593,3-Phenyl-1-propanol
OCCCCC(O)CO,10001.0,1.0,1.0,0.0,134.175,6.0,3.0,OCCCCC(O)CO,4.000043427276863,"1,2,6-Hexanetriol"
OCCCCCCCCCCO,10000.0,4.0,1.0,0.0,174.284,10.0,2.0,OCCCCCCCCCCO,4.0,"1,10-Decanediol"
OCCCCCCCCCO,3400.0,4.0,1.0,0.0,160.257,9.0,2.0,OCCCCCCCCCO,3.531478917042255,"1,9-Nonanediol"
OCCCCCCCl,3500.0,2.0,2.0,0.0,136.622,6.0,1.0,OCCCCCCCl,3.5440680443502757,6-Chlorohexan-1-ol
OCCCCCCO,3355.0,2.0,2.0,0.0,118.176,6.0,2.0,OCCCCCCO,3.525692524505011,"1,6-Hexanediol"
OCCCCCO,5487.0,1.0,2.0,0.0,104.149,5.0,2.0,OCCCCCO,3.7393349601960795,"1,5-Pentanediol"
OCCCCO,1651.0,1.0,2.0,0.0,90.122,4.0,2.0,OCCCCO,3.2177470732627937,"1,4-Butanediol"
OCCCO,10001.0,0.0,2.0,0.0,76.095,3.0,2.0,OCCCO,4.000043427276863,"1,3-Propanediol"
OCCCS,116.0,1.0,2.0,0.0,92.163,3.0,1.0,OCCCS,2.0644579892269186,3-Mercapto-1-propanol
OCCCl,68.0,1.0,2.0,0.0,80.51400000000001,2.0,1.0,OCCCl,1.8325089127062364,2-Chloroethanol
OCCF,5.0,1.0,2.0,0.0,64.059,2.0,1.0,OCCF,0.6989700043360189,2-Fluoroethanol
OCCI,50.0,2.0,2.0,0.0,171.965,2.0,1.0,OCCI,1.6989700043360187,"Ethanol, 2-iodo-"
OCCN(CC(O)=O)CC(O)=O,2010.5,2.0,2.0,0.0,177.15599999999998,6.0,5.0,OCCN(CC(O)=O)CC(O)=O,3.3033040774389297,"Glycine, N-(carboxymethyl)-N-(2-hydroxyethyl)-, disodium salt"
OCCN(CC(O)=O)CCN(CC(O)=O)CC(O)=O,1857.0,3.0,2.0,0.0,278.26099999999997,10.0,7.0,OCCN(CC(O)=O)CCN(CC(O)=O)CC(O)=O,3.2688119037397803,"Magnesate(1-), [N-[2-[bis[(carboxy-.kappa.O)methyl]amino-.kappa.N]ethyl]-N-[2-(hydroxy-.kappa.O)ethyl]glycinato(3-)-.kappa.N,.kappa.O]-, sodium"
OCCN(CCO)C(CO)(CO)CO,3500.0,3.0,1.0,0.0,209.24199999999996,8.0,5.0,OCCN(CCO)C(CO)(CO)CO,3.5440680443502757,"1,3-Propanediol, 2-[bis(2-hydroxyethyl)amino]-2-(hydroxymethyl)-"
OCCN(CCO)C1=NC(=C(O1)C1C=CC=CC=1)C1C=CC=CC=1,10001.0,4.0,2.0,0.0,324.38000000000005,19.0,3.0,OCCN(CCO)C1=NC(=C(O1)C1C=CC=CC=1)C1C=CC=CC=1,4.000043427276863,Ditazole
OCCN(CCO)C1=NC(=C2N=C(N=C(C2=N1)N1CCCCC1)N(CCO)CCO)N1CCCCC1,8400.0,1.0,1.0,3.0,504.6360000000004,24.0,4.0,OCCN(CCO)C1=NC(=C2N=C(N=C(C2=N1)N1CCCCC1)N(CCO)CCO)N1CCCCC1,3.9242792860618816,Dipyridamole
OCCN(CCO)C1C=CC=C(Cl)C=1,5150.0,4.0,2.0,0.0,215.68,10.0,2.0,OCCN(CCO)C1C=CC=C(Cl)C=1,3.711807229041191,"Ethanol, 2,2'-[(3-chlorophenyl)imino]bis-, hydrochloride"
OCCN(CCO)C1C=CC=CC=1,2190.0,4.0,2.0,0.0,181.235,10.0,2.0,OCCN(CCO)C1C=CC=CC=1,3.3404441148401185,N-Phenyldiethanolamine
OCCN(CCO)C1CCCCC1,3050.0,4.0,2.0,0.0,187.28299999999993,10.0,2.0,OCCN(CCO)C1CCCCC1,3.484299839346786,"Ethanol, 2,2'-(cyclohexylimino)bis-"
OCCN(CCO)C1N=C(C2=NC(=NC=C2N=1)N(CCO)CCO)N1CCCCC1,3000.0,3.0,1.0,2.0,421.5020000000002,19.0,4.0,OCCN(CCO)C1N=C(C2=NC(=NC=C2N=1)N(CCO)CCO)N1CCCCC1,3.4771212547196626,Mopidamol
OCCN(CCO)CCO,6526.0,1.0,1.0,0.0,149.19,6.0,3.0,OCCN(CCO)CCO,3.814647069451856,Triethanolamine hydriodide
OCCN(CCO)N=O,7500.0,0.0,2.0,0.0,134.13500000000002,4.0,3.0,OCCN(CCO)N=O,3.8750612633917,N-Nitrosodiethanolamine
OCCN1C(=O)C(O)N=C(C2=CC=CC=C2F)C2=CC(Cl)=CC=C12,2550.0,4.0,3.0,0.0,348.7610000000001,17.0,3.0,OCCN1C(=O)C(O)N=C(C2=CC=CC=C2F)C2=CC(Cl)=CC=C12,3.406540180433955,Doxefazepam
OCCN1C(=O)C2=CC=CC=C2C1=O,2751.0,4.0,2.0,0.0,191.18599999999995,10.0,3.0,OCCN1C(=O)C2=CC=CC=C2C1=O,3.4394905903896835,"1H-Isoindole-1,3(2H)-dione, 2-(2-hydroxyethyl)-"
OCCN1C(=O)CN2CCOC2(C2=CC=CC=C2F)C2=CC(Cl)=CC=C12,6000.0,4.0,2.0,0.0,376.8150000000001,19.0,3.0,OCCN1C(=O)CN2CCOC2(C2=CC=CC=C2F)C2=CC(Cl)=CC=C12,3.7781512503836434,Flutazolam
OCCN1C(=O)N(CCO)C(=O)N(CCO)C1=O,6375.0,3.0,2.0,0.0,261.2339999999999,9.0,6.0,OCCN1C(=O)N(CCO)C(=O)N(CCO)C1=O,3.804480189105993,Tris(2-hydroxyethyl) isocyanurate
OCCN1CC1,74.0,0.0,2.0,0.0,87.122,4.0,1.0,OCCN1CC1,1.8692317197309762,1-Aziridineethanol
OCCN1CCCC1=O,10001.0,2.0,2.0,0.0,129.15900000000002,6.0,2.0,OCCN1CCCC1=O,4.000043427276863,1-(2-Hydroxyethyl)pyrrolidin-2-one
OCCN1CCCCC1,1299.0,2.0,2.0,0.0,129.203,7.0,1.0,OCCN1CCCCC1,3.1136091510730277,1-Piperidineethanol
OCCN1CCN(CC1)C(=O)CN1C2=CC(Cl)=CC=C2SC1=O,3600.0,4.0,2.0,0.0,355.8470000000002,15.0,3.0,OCCN1CCN(CC1)C(=O)CN1C2=CC(Cl)=CC=C2SC1=O,3.5563025007672873,Tiaramide
OCCN1CCN(CC1)C(=O)CN1C2C=C(Cl)C=CC=2SC1=O,2300.0,4.0,2.0,0.0,355.8470000000002,15.0,3.0,OCCN1CCN(CC1)C(=O)CN1C2C=C(Cl)C=CC=2SC1=O,3.361727836017593,Tiaramide hydrochloride
OCCN1CCN(CCC=C2C3C=CC=CC=3SC3C=CC(=CC=32)C(F)(F)F)CC1,791.0,4.0,1.0,0.0,434.52700000000016,23.0,1.0,OCCN1CCN(CCC=C2C3C=CC=CC=3SC3C=CC(=CC=32)C(F)(F)F)CC1,2.8981764834976764,Flupentixol dihydrochloride
OCCN1CCN(CCCN2C3=CC=CC=C3C=CC3=CC=CC=C23)CC1,900.0,4.0,2.0,0.0,363.50500000000017,23.0,1.0,OCCN1CCN(CCCN2C3=CC=CC=C3C=CC3=CC=CC=C23)CC1,2.9542425094393248,Opipramol dihydrochloride
OCCN1CCN(CCCN2C3=CC=CC=C3C=CC3C=CC=CC2=3)CC1,1110.0,4.0,2.0,0.0,363.50500000000017,23.0,1.0,OCCN1CCN(CCCN2C3=CC=CC=C3C=CC3C=CC=CC2=3)CC1,3.0453229787866576,Opipramol
OCCN1CCN(CCCN2C3=CC=CC=C3S(=O)C3C=CC(Cl)=CC2=3)CC1,1000.0,4.0,2.0,0.0,419.9780000000001,21.0,2.0,OCCN1CCN(CCCN2C3=CC=CC=C3S(=O)C3C=CC(Cl)=CC2=3)CC1,3.0,
OCCN1CCN(CCCN2C3=CC=CC=C3SC3C=CC(Cl)=CC2=3)CC1,318.0,4.0,1.0,0.0,403.9790000000002,21.0,1.0,OCCN1CCN(CCCN2C3=CC=CC=C3SC3C=CC(Cl)=CC2=3)CC1,2.5024271199844326,Perphenazine
OCCN1CCN(CCO)CC1,10001.0,3.0,2.0,0.0,174.24399999999997,8.0,2.0,OCCN1CCN(CCO)CC1,4.000043427276863,"1,4-Piperazinediethanol"
OCCN1CCN(CCS(O)(=O)=O)CC1,3500.0,3.0,2.0,0.0,238.3089999999999,8.0,4.0,OCCN1CCN(CCS(O)(=O)=O)CC1,3.5440680443502757,Sodium 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate
OCCN1CCNC1=O,3500.0,0.0,2.0,0.0,130.14700000000002,5.0,2.0,OCCN1CCNC1=O,3.5440680443502757,1-(2-Hydroxyethyl)-2-imidazolidinone
OCCN1CCNCC1,4244.0,1.0,2.0,0.0,130.191,6.0,1.0,OCCN1CCNCC1,3.627775375229303,1-Piperazineethanol
OCCN1CCOC21CCCCC2,3500.0,4.0,2.0,0.0,185.2669999999999,10.0,2.0,OCCN1CCOC21CCCCC2,3.5440680443502757,1-Oxa-4-azaspiro[4.5]decane-4-ethanol
OCCN1CCOCC1,5500.0,1.0,2.0,0.0,131.17499999999998,6.0,2.0,OCCN1CCOCC1,3.7403626894942437,4-(2-Hydroxyethyl)morpholine
OCCN1CN(CN(C1)CCO)CCO,937.0,3.0,1.0,0.0,219.28499999999997,9.0,3.0,OCCN1CN(CN(C1)CCO)CCO,2.971739590887778,"1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanol"
OCCN1CNC(=S)NC1,3500.0,3.0,2.0,0.0,161.23,5.0,1.0,OCCN1CNC(=S)NC1,3.5440680443502757,"1,3,5-Triazine-2(1H)-thione, tetrahydro-5-(2-hydroxyethyl)-"
OCCNC(=O)C=CC1C=CC=CC=1,3000.0,4.0,2.0,0.0,191.23,11.0,2.0,OCCNC(=O)C=CC1C=CC=CC=1,3.4771212547196626,Idrocilamide
OCCNC1=CC=C(NCCO)C2=C1C(=O)C1=CC=CC=C1C2=O,7500.0,4.0,2.0,0.0,326.35200000000003,18.0,4.0,OCCNC1=CC=C(NCCO)C2=C1C(=O)C1=CC=CC=C1C2=O,3.8750612633917,"9,10-Anthracenedione, 1,4-bis[(2-hydroxyethyl)amino]-"
OCCNC1C=CC=CC=1,2595.0,3.0,2.0,0.0,137.182,8.0,1.0,OCCNC1C=CC=CC=1,3.414137362184477,"Ethanol, 2-(phenylamino)-"
OCCNC1CCCCC1,10001.0,3.0,2.0,0.0,143.23,8.0,1.0,OCCNC1CCCCC1,4.000043427276863,"Ethanol, 2-(cyclohexylamino)-"
OCCNCCC1C=CC=CC=1,1870.0,4.0,2.0,0.0,165.23600000000002,10.0,1.0,OCCNCCC1C=CC=CC=1,3.271841606536499,"Ethanol, 2-(phenethylamino)-"
OCCNCCCO,3500.0,1.0,2.0,0.0,119.164,5.0,2.0,OCCNCCCO,3.5440680443502757,3-((2-Hydroxyethyl)amino)propanol
OCCNCCO,460.0,0.0,2.0,0.0,105.137,4.0,2.0,OCCNCCO,2.662757831681574,"Formic acid, compd. with 2,2'-iminobis[ethanol] (1:1)"
OCCNCCOC1C=CC(=CC=1)C(=C(C1C=CC=CC=1)C(F)(F)F)C1C=CC=CC=1,1400.0,4.0,0.0,1.0,427.46600000000007,25.0,2.0,OCCNCCOC1C=CC(=CC=1)C(=C(C1C=CC=CC=1)C(F)(F)F)C1C=CC=CC=1,3.146128035678238,
OCCO,7813.0,0.0,2.0,0.0,62.068000000000005,2.0,2.0,OCCO,3.892817824309576,Ethylene glycol
OCCOC1=CC(Cl)=C(Cl)C=C1Cl,1500.0,4.0,2.0,0.0,241.501,8.0,2.0,OCCOC1=CC(Cl)=C(Cl)C=C1Cl,3.1760912590556813,Fenteracol [ISO]
OCCOC1=NN(C2N=CC=CC=21)C1C=C(C=CC=1)C(F)(F)F,1000.0,4.0,3.0,0.0,323.27400000000006,15.0,2.0,OCCOC1=NN(C2N=CC=CC=21)C1C=C(C=CC=1)C(F)(F)F,3.0,"Ethanol, 2-((1-(3-(trifluoromethyl)phenyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)oxy)- (9CI)"
OCCOC1C=CC(=CC=1)OCCO,6251.0,4.0,1.0,0.0,198.21799999999996,10.0,4.0,OCCOC1C=CC(=CC=1)OCCO,3.7959494989028033,"2,2'-[1,4-Phenylenebis(oxy)]diethanol"
OCCOC1C=CC=CC=1,2247.0,2.0,2.0,0.0,138.16599999999997,8.0,2.0,OCCOC1C=CC=CC=1,3.351603072419129,2-Phenoxyethanol
OCCOCC1C=CC=CC=1,1190.0,3.0,2.0,0.0,152.19299999999998,9.0,2.0,OCCOCC1C=CC=CC=1,3.0755469613925306,"Ethanol, 2-(phenylmethoxy)-"
OCCOCCCl,6300.0,1.0,2.0,0.0,124.567,4.0,2.0,OCCOCCCl,3.7993405494535817,"Ethanol, 2-(2-chloroethoxy)-"
OCCOCCN1CCN(CC1)C(C1C=CC=CC=1)C1C=CC(Cl)=CC=1,826.6666666666666,4.0,1.0,0.0,374.91200000000015,21.0,2.0,OCCOCCN1CCN(CC1)C(C1C=CC=CC=1)C1C=CC(Cl)=CC=1,2.917330426106554,Hydroxyzine
OCCOCCN1CCN(CC1)C(C1C=CC=CC=1)C1C=CC=CC=1,840.0,4.0,2.0,0.0,340.46700000000016,21.0,2.0,OCCOCCN1CCN(CC1)C(C1C=CC=CC=1)C1C=CC=CC=1,2.9242792860618816,Decloxizine
OCCOCCN1CCN(CCOC(C2=CC=C(Cl)C=C2)C2C=CC=CC=2)CC1,800.0,4.0,1.0,0.0,418.96500000000015,23.0,3.0,OCCOCCN1CCN(CCOC(C2=CC=C(Cl)C=C2)C2C=CC=CC=2)CC1,2.9030899869919438,
OCCOCCO,10001.0,0.0,2.0,0.0,106.121,4.0,3.0,OCCOCCO,4.000043427276863,Diethylene glycol
OCCOCCOC(=O)C1C=CC=CC=1NC1C=C(C=CC=1)C(F)(F)F,292.0,4.0,0.0,0.0,369.33900000000006,18.0,4.0,OCCOCCOC(=O)C1C=CC=CC=1NC1C=C(C=CC=1)C(F)(F)F,2.4653828514484184,Etofenamate
OCCOCCOC(=O)CCl,770.0,3.0,2.0,0.0,182.603,6.0,4.0,OCCOCCOC(=O)CCl,2.886490725172482,Kuscide
OCCOCCOC1C=CC=CC=1,3136.0,4.0,2.0,0.0,182.219,10.0,3.0,OCCOCCOC1C=CC=CC=1,3.496376054012401,Diethylene glycol monophenyl ether
OCCOCCOCCN1CCN(CC1)C(C1C=CC=CC=1)C1C=CC(Cl)=CC=1,920.0,4.0,1.0,0.0,418.96500000000015,23.0,3.0,OCCOCCOCCN1CCN(CC1)C(C1C=CC=CC=1)C1C=CC(Cl)=CC=1,2.963787827345555,
OCCOCCOCCO,10001.0,1.0,1.0,0.0,150.174,6.0,4.0,OCCOCCOCCO,4.000043427276863,Triethylene glycol
OCCOCCOCCOCCO,10001.0,3.0,1.0,0.0,194.227,8.0,5.0,OCCOCCOCCOCCO,4.000043427276863,Tetraethylene glycol
OCCOCCOCCOCCOC1C=CC=CC=1,1260.0,4.0,2.0,0.0,270.325,14.0,5.0,OCCOCCOCCOCCOC1C=CC=CC=1,3.100370545117563,2-(2-(2-(2-Phenoxyethoxy)ethoxy)ethoxy)ethanol
OCCOCCOCCOCCOCCOCCO,10001.0,3.0,2.0,0.0,282.33299999999997,12.0,7.0,OCCOCCOCCOCCOCCOCCO,4.000043427276863,Hexaethylene glycol
OCCOCCOCCOCCOCCOCCOCCOCCOCCO,10001.0,3.0,1.0,0.0,414.4920000000003,18.0,10.0,OCCOCCOCCOCCOCCOCCOCCOCCOCCO,4.000043427276863,Nonaethylene glycol
OCCS,290.0,1.0,2.0,0.0,78.136,2.0,1.0,OCCS,2.462397997898956,2-Mercaptoethanol sodium salt
OCCS(=O)(=O)C1C=CC(=CC=1)NS(=O)(=O)C1=CC2=C3NC(N=C4N=C(N=C5NC(=NC6=NC(=N3)C3=CC=C(C=C36)S(O)(=O)=O)C3=CC=C(C=C35)S(O)(=O)=O)C3=CC=C(C=C34)S(O)(=O)=O)=C2C=C1,10000.0,1.0,0.0,3.0,1018.04,40.0,14.0,OCCS(=O)(=O)C1C=CC(=CC=1)NS(=O)(=O)C1=CC2=C3NC(N=C4N=C(N=C5NC(=NC6=NC(=N3)C3=CC=C(C=C36)S(O)(=O)=O)C3=CC=C(C=C35)S(O)(=O)=O)C3=CC=C(C=C34)S(O)(=O)=O)=C2C=C1,4.0,
OCCS(=O)(=O)CCO,3750.0,0.0,2.0,0.0,154.18699999999998,4.0,4.0,OCCS(=O)(=O)CCO,3.574031267727719,"2,2'-Sulfonyl bisethanol"
OCCS(=O)(=O)CS(=O)(=O)CCO,3200.0,3.0,1.0,0.0,232.27899999999997,5.0,6.0,OCCS(=O)(=O)CS(=O)(=O)CCO,3.505149978319906,"Ethanol, 2,2'-[methylenebis(sulfonyl)]bis-"
OCCS(O)(=O)=O,6251.0,0.0,2.0,0.0,126.13299999999998,2.0,4.0,OCCS(O)(=O)=O,3.7959494989028033,"Ethanesulfonic acid, 2-hydroxy-, potassium salt (1:1)"
OCCSCCO,6610.0,1.0,2.0,0.0,122.189,4.0,2.0,OCCSCCO,3.82020145948564,"2,2'-Thiobisethanol"
OCCSSCCO,173.0,1.0,2.0,0.0,154.256,4.0,2.0,OCCSSCCO,2.2380461031287955,2-Hydroxyethyl disulfide
OCC[N+](CCO)(CCO)CCO,2250.0,3.0,1.0,0.0,194.251,8.0,4.0,OCC[N+](CCO)(CCO)CCO,3.3521825181113627,"Ethanaminium, 2-hydroxy-N,N,N-tris(2-hydroxyethyl)-, bromide (1:1)"
OCN1C(=O)OC2C=C(Cl)C=CC1=2,2800.0,3.0,2.0,0.0,199.593,8.0,3.0,OCN1C(=O)OC2C=C(Cl)C=CC1=2,3.4471580313422194,"2(3H)-Benzoxazolone, 6-chloro-3-(hydroxymethyl)-"
OCN1C(NC(=O)NCNC(=O)NC2C(=O)NC(=O)N2CO)C(=O)NC1=O,10001.0,3.0,1.0,0.0,388.2970000000001,11.0,8.0,OCN1C(NC(=O)NCNC(=O)NC2C(=O)NC(=O)N2CO)C(=O)NC1=O,4.000043427276863,Imidazolidinyl urea
OCN1C2C(N(CO)C(=O)N2CO)N(CO)C1=O,7500.0,3.0,2.0,0.0,262.222,8.0,6.0,OCN1C2C(N(CO)C(=O)N2CO)N(CO)C1=O,3.8750612633917,"Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-1,3,4,6-tetrakis(hydroxymethyl)-"
OCNC(=O)N(CO)C1C(=O)N(CO)C(=O)N1CO,3425.0,3.0,2.0,0.0,278.221,8.0,7.0,OCNC(=O)N(CO)C1C(=O)N(CO)C(=O)N1CO,3.534660575828444,Diazolidinyl urea
OCNC(=O)NCO,4950.0,0.0,2.0,0.0,120.108,3.0,3.0,OCNC(=O)NCO,3.694605198933569,Dimethylolurea
OCNC(=S)C1C(Cl)=CC=CC=1Cl,3500.0,4.0,2.0,0.0,236.123,8.0,1.0,OCNC(=S)C1C(Cl)=CC=CC=1Cl,3.5440680443502757,"Benzamide, 2,6-dichloro-N-(hydroxymethyl)thio-"
OCNCC(O)=O,1150.0,0.0,2.0,0.0,105.093,3.0,3.0,OCNCC(O)=O,3.060697840353612,N-(Hydroxymethyl)glycine
OCOCCOCO,760.0,0.0,2.0,0.0,122.12,4.0,4.0,OCOCCOCO,2.8808135922807914,"1,2-Bis[hydroxymethoxy]ethane"
OCP(=O)(CO)CO,3500.0,0.0,2.0,0.0,140.075,3.0,4.0,OCP(=O)(CO)CO,3.5440680443502757,Tris(hydroxymethyl)phosphine oxide
OCP(CO)CO,178.0,0.0,2.0,0.0,124.07599999999998,3.0,3.0,OCP(CO)CO,2.250420002308894,"Methanol, phosphinidynetris-"
OCS(O)(=O)=O,3200.0,0.0,2.0,0.0,112.10599999999998,1.0,4.0,OCS(O)(=O)=O,3.505149978319906,Hydroxymethanesulfonic acid
OCS(O)=O,7500.0,0.0,2.0,0.0,96.107,1.0,3.0,OCS(O)=O,3.8750612633917,Hydroxymethanesulfinic acid
OC[P+](CO)(CO)CO,204.0,1.0,1.0,0.0,155.11,4.0,4.0,OC[P+](CO)(CO)CO,2.3096301674258988,Tetrakis(hydroxymethyl)phosphonium
ON(N=O)C1C=CC=CC=1,344.5,1.0,2.0,0.0,138.12599999999998,6.0,2.0,ON(N=O)C1C=CC=CC=1,2.5371892262436444,1-Hydroxy-2-oxo-1-phenylhydrazine
ON1C=CC=CC1=O,1723.0,1.0,2.0,0.0,111.1,5.0,2.0,ON1C=CC=CC1=O,3.2362852774480286,Hydroxypyridinone
ON1N=NC2C=CC=CC1=2,3850.0,1.0,2.0,0.0,135.12599999999998,6.0,1.0,ON1N=NC2C=CC=CC1=2,3.5854607295085006,1H-Benzotriazol-1-ol
ONC(=O)NC1=CC(Cl)=C(Cl)C=C1,1850.0,3.0,2.0,0.0,221.043,7.0,2.0,ONC(=O)NC1=CC(Cl)=C(Cl)C=C1,3.2671717284030137,"N-(3,4-Dichlorophenyl)-N'-hydroxyurea"
ONC1C=CC=CC=1,100.0,1.0,2.0,0.0,109.12799999999996,6.0,1.0,ONC1C=CC=CC=1,2.0,N-Phenylhydroxylamine
OP(=O)C1C=CC=CC=1,1345.0,1.0,2.0,0.0,142.094,6.0,2.0,OP(=O)C1C=CC=CC=1,3.128722284338427,"Phosphinic acid, phenyl-, sodium salt"
OP(O)(=O)C1C=CC=CC=1,3125.5,1.0,2.0,0.0,158.093,6.0,3.0,OP(O)(=O)C1C=CC=CC=1,3.494919503238822,"Phosphonic acid, P-phenyl-, zinc salt (1:1)"
OP(O)(=O)CCCl,3550.0,1.0,2.0,0.0,144.494,2.0,3.0,OP(O)(=O)CCCl,3.550228353055094,Ethephon
OP(O)(=O)CN(CC(O)=O)CC(O)=O,2237.0,3.0,1.0,0.0,227.109,5.0,7.0,OP(O)(=O)CN(CC(O)=O)CC(O)=O,3.34966598409663,"Glycine, N-(carboxymethyl)-N-(phosphonomethyl)-"
OP(O)(=O)CN(CCN(CP(O)(O)=O)CP(O)(O)=O)CCN(CP(O)(O)=O)CP(O)(O)=O,7180.0,2.0,1.0,1.0,573.1990000000004,9.0,15.0,OP(O)(=O)CN(CCN(CP(O)(O)=O)CP(O)(O)=O)CCN(CP(O)(O)=O)CP(O)(O)=O,3.8561244442423,"Diethylene triamine penta(methylene phosphonic acid), disodium salt"
OP(O)(=O)CN(CP(O)(O)=O)CCN(CP(O)(O)=O)CP(O)(O)=O,6900.0,3.0,1.0,0.0,436.1240000000001,6.0,12.0,OP(O)(=O)CN(CP(O)(O)=O)CCN(CP(O)(O)=O)CP(O)(O)=O,3.838849090737255,"Phosphonic acid, [1,2-ethanediylbis[nitrilobis(methylene)]]tetrakis-, pentasodium salt"
OP(O)(=O)CN(CP(O)(O)=O)CP(O)(O)=O,5586.0,3.0,2.0,0.0,299.049,3.0,9.0,OP(O)(=O)CN(CP(O)(O)=O)CP(O)(O)=O,3.747100931364986,Disodium tetrahydrogen [nitrilotris(methylene)]trisphosphonate
OP(O)(=O)OC(=CCl)C1=CC=C(Cl)C=C1Cl,13.0,4.0,2.0,0.0,303.46500000000003,8.0,4.0,OP(O)(=O)OC(=CCl)C1=CC=C(Cl)C=C1Cl,1.1139433523068367,
OP(O)(=O)OC1C=CC=CC=1,2290.0,2.0,2.0,0.0,174.092,6.0,4.0,OP(O)(=O)OC1C=CC=CC=1,3.359835482339888,"Phosphoric acid, monophenyl ester, sodium salt (1:2)"
OP(O)(=O)OCC(Cl)(Cl)Cl,1375.0,2.0,2.0,0.0,229.383,2.0,4.0,OP(O)(=O)OCC(Cl)(Cl)Cl,3.1383026981662816,Triclofos
OP(O)(=O)OCC1CC(C(O)C1O)N1C=NC2=C1N=CNC2=O,10001.0,3.0,2.0,0.0,346.236,11.0,7.0,OP(O)(=O)OCC1CC(C(O)C1O)N1C=NC2=C1N=CNC2=O,4.000043427276863,Inosine 5'-monophosphate disodium salt hydrate
OP(O)(=O)OCC1OC(C(O)C1O)N1C=NC2=C1N=CNC2=O,10001.0,3.0,2.0,0.0,348.20799999999997,10.0,8.0,OP(O)(=O)OCC1OC(C(O)C1O)N1C=NC2=C1N=CNC2=O,4.000043427276863,Disodium inosinate
OP(OCCCl)OCCCl,260.0,3.0,2.0,0.0,206.993,4.0,3.0,OP(OCCCl)OCCCl,2.4149733479708178,"Ethanol, 2-chloro-, phosphite (2:1)"
OS(=O)(=O)C(CC(=O)OC1CCCCC1)C(=O)OC1CCCCC1,3175.0,4.0,2.0,0.0,362.4440000000002,16.0,7.0,OS(=O)(=O)C(CC(=O)OC1CCCCC1)C(=O)OC1CCCCC1,3.5017437296279943,Dicyclohexyl sulfosuccinic acid
OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,202.5,3.0,0.0,0.0,500.1259999999999,8.0,3.0,OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,2.3064250275506875,"1-Octanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-, ammonium salt"
OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,1965.0,2.0,3.0,0.0,300.0979999999999,4.0,3.0,OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,3.2933625547114453,1-Perfluorobutanesulfonic acid
OS(=O)(=O)C(F)(F)F,1251.5,1.0,2.0,0.0,150.07699999999997,1.0,3.0,OS(=O)(=O)C(F)(F)F,3.097430853944242,"Methanesulfonic acid, trifluoro-, silver(1+) salt"
OS(=O)(=O)C1=CC(=CC=C1)N=NC1=CC=C(N=NC2C=CC(=CC=2)N(CCO)CCO)C2=CC=CC=C12,7500.0,1.0,0.0,2.0,519.5830000000003,26.0,5.0,OS(=O)(=O)C1=CC(=CC=C1)N=NC1=CC=C(N=NC2C=CC(=CC=2)N(CCO)CCO)C2=CC=CC=C12,3.8750612633917,"Benzenesulfonic acid, 3-[2-[4-[2-[4-[bis(2-hydroxyethyl)amino]phenyl]diazenyl]-1-naphthalenyl]diazenyl]-, sodium salt (1:1)"
OS(=O)(=O)C1=CC(=CC=C1C=CC1=CC=C(C=C1S(O)(=O)=O)NC1=NC(NC2C=C(C=CC=2)S(O)(=O)=O)=NC(=N1)N(CCO)CCO)NC1N=C(NC2C=C(C=CC=2)S(O)(=O)=O)N=C(N=1)N(CCO)CCO,1960.0,1.0,1.0,3.0,1077.1280000000002,40.0,16.0,OS(=O)(=O)C1=CC(=CC=C1C=CC1=CC=C(C=C1S(O)(=O)=O)NC1=NC(NC2C=C(C=CC=2)S(O)(=O)=O)=NC(=N1)N(CCO)CCO)NC1N=C(NC2C=C(C=CC=2)S(O)(=O)=O)N=C(N=1)N(CCO)CCO,3.292256071356476,"Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, sodium salt (1:4)"
OS(=O)(=O)C1=CC(=CC=C1C=CC1=CC=C(C=C1S(O)(=O)=O)NC1=NC(NC2C=CC=CC=2)=NC(=N1)N(CCO)CCO)NC1=NC(NC2C=CC=CC=2)=NC(=N1)N(CCO)CCO,10001.0,1.0,1.0,3.0,917.0,40.0,10.0,OS(=O)(=O)C1=CC(=CC=C1C=CC1=CC=C(C=C1S(O)(=O)=O)NC1=NC(NC2C=CC=CC=2)=NC(=N1)N(CCO)CCO)NC1=NC(NC2C=CC=CC=2)=NC(=N1)N(CCO)CCO,4.000043427276863,C.I. Fluorescent brightening agent 28
OS(=O)(=O)C1=CC(=CC=C1C=CC1=CC=C(C=C1S(O)(=O)=O)NC1=NC(NC2C=CC=CC=2)=NC(NC2C=CC=CC=2)=N1)NC1=NC(NC2C=CC=CC=2)=NC(NC2C=CC=CC=2)=N1,10000.0,0.0,0.0,4.0,892.984,44.0,6.0,OS(=O)(=O)C1=CC(=CC=C1C=CC1=CC=C(C=C1S(O)(=O)=O)NC1=NC(NC2C=CC=CC=2)=NC(NC2C=CC=CC=2)=N1)NC1=NC(NC2C=CC=CC=2)=NC(NC2C=CC=CC=2)=N1,4.0,"Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]amino]-, sodium salt (1:2)"
OS(=O)(=O)C1=CC(=CC=C1C=CC1=CC=C(C=C1S(O)(=O)=O)NC1N=C(Cl)N=C(N=1)N(CCO)CCO)NC1N=C(Cl)N=C(N=1)N(CCO)CCO,10001.0,1.0,1.0,3.0,803.664,28.0,10.0,OS(=O)(=O)C1=CC(=CC=C1C=CC1=CC=C(C=C1S(O)(=O)=O)NC1N=C(Cl)N=C(N=1)N(CCO)CCO)NC1N=C(Cl)N=C(N=1)N(CCO)CCO,4.000043427276863,"Disodium 4,4'-bis((4-(bis(2-hydroxyethyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonate"
OS(=O)(=O)C1=CC(=CC=C1C=CC1C=CC=CC=1)N1N=C2C=CC3=CC=CC=C3C2=N1,10001.0,4.0,1.0,0.0,427.4850000000001,24.0,3.0,OS(=O)(=O)C1=CC(=CC=C1C=CC1C=CC=CC=1)N1N=C2C=CC3=CC=CC=C3C2=N1,4.000043427276863,"Benzenesulfonic acid, 5-(2H-naphtho[1,2-d]triazol-2-yl)-2-(2-phenylethenyl)-, sodium salt"
OS(=O)(=O)C1=CC2C=CC(=NC=2C(=C1)S(O)(=O)=O)C1C(=O)C2C=CC=CC=2C1=O,3500.0,4.0,2.0,0.0,433.41900000000015,18.0,8.0,OS(=O)(=O)C1=CC2C=CC(=NC=2C(=C1)S(O)(=O)=O)C1C(=O)C2C=CC=CC=2C1=O,3.5440680443502757,C.I. Acid Yellow 3 disodium salt
OS(=O)(=O)C1=CC2C=CC3=NN(N=C3C=2C=C1)C1=CC(=C(C=CC2C=CC(=CC=2S(O)(=O)=O)N2C=NC=N2)C=C1)S(O)(=O)=O,10001.0,2.0,1.0,3.0,654.6640000000002,26.0,9.0,OS(=O)(=O)C1=CC2C=CC3=NN(N=C3C=2C=C1)C1=CC(=C(C=CC2C=CC(=CC=2S(O)(=O)=O)N2C=NC=N2)C=C1)S(O)(=O)=O,4.000043427276863,
OS(=O)(=O)C1=CC2C=CC=CC=2C=C1,2920.0,4.0,2.0,0.0,208.238,10.0,3.0,OS(=O)(=O)C1=CC2C=CC=CC=2C=C1,3.4653828514484184,Naphthalene-2-sulfonic acid
OS(=O)(=O)C1=CC2N=C(NC=2C=C1)C1C=CC=CC=1,10001.0,4.0,3.0,0.0,274.30100000000004,13.0,3.0,OS(=O)(=O)C1=CC2N=C(NC=2C=C1)C1C=CC=CC=1,4.000043427276863,Ensulizole
OS(=O)(=O)C1=CC=CC2=C1C(=O)C1=CC=CC(=C1C2=O)S(O)(=O)=O,2357.0,4.0,2.0,0.0,368.3440000000001,14.0,8.0,OS(=O)(=O)C1=CC=CC2=C1C(=O)C1=CC=CC(=C1C2=O)S(O)(=O)=O,3.3723595825243238,"1,5-Anthracenedisulfonic acid, 9,10-dihydro-9,10-dioxo-, disodium salt"
OS(=O)(=O)C1=CC=CC2=C1C(=O)C1C(=CC=CC=1S(O)(=O)=O)C2=O,1870.0,4.0,2.0,0.0,368.3440000000001,14.0,8.0,OS(=O)(=O)C1=CC=CC2=C1C(=O)C1C(=CC=CC=1S(O)(=O)=O)C2=O,3.271841606536499,"1,8-Anthracenedisulfonic acid, 9,10-dihydro-9,10-dioxo-, disodium salt"
OS(=O)(=O)C1=CC=CC2C(=CC=CC=21)N=NC1=CC=C(N=NC2C=CC(NC3C=CC=CC=3)=C3C(=CC=CC=23)S(O)(=O)=O)C2=CC=CC=C12,10001.0,0.0,0.0,2.0,687.7590000000001,36.0,6.0,OS(=O)(=O)C1=CC=CC2C(=CC=CC=21)N=NC1=CC=C(N=NC2C=CC(NC3C=CC=CC=3)=C3C(=CC=CC=23)S(O)(=O)=O)C2=CC=CC=C12,4.000043427276863,"1-Naphthalenesulfonic acid, 8-(phenylamino)-5-[2-[4-[2-(5-sulfo-1-naphthalenyl)diazenyl]-1-naphthalenyl]diazenyl]-, sodium salt (1:2)"
OS(=O)(=O)C1=CC=CC2C(=CC=CC=21)S(O)(=O)=O,10001.0,4.0,3.0,0.0,288.302,10.0,6.0,OS(=O)(=O)C1=CC=CC2C(=CC=CC=21)S(O)(=O)=O,4.000043427276863,"1,5-Naphthalenedisulfonic acid, disodium salt hydrate"
"OS(=O)(=O)C1=CC=CC=C1NC1C=CC(=CC=1)C(C1C=CC(=CC=1)NC1C=CC=CC=1)=C1C=CC(C=C1)=NC1C=CC=CC=1 |t:34,41|",7500.0,0.0,0.0,2.0,595.7240000000003,37.0,3.0,"OS(=O)(=O)C1=CC=CC=C1NC1C=CC(=CC=1)C(C1C=CC(=CC=1)NC1C=CC=CC=1)=C1C=CC(C=C1)=NC1C=CC=CC=1 |t:34,41|",3.8750612633917,C.I. Pigment Blue 61
OS(=O)(=O)C1C2N=C(NC=2C(Cl)=C(Cl)C=1Cl)C(F)(F)F,218.0,4.0,1.0,0.0,369.535,8.0,3.0,OS(=O)(=O)C1C2N=C(NC=2C(Cl)=C(Cl)C=1Cl)C(F)(F)F,2.3384564936046046,"4-Benzimidazolesulfonic acid, 5,6,7-trichloro-2-(trifluoromethyl)-"
OS(=O)(=O)C1C=C(C(C=CC2C=CC=CC=2)=CC=1)N1N=C2C=CC3=CC(=CC=C3C2=N1)S(O)(=O)=O,2500.0,2.0,1.0,1.0,507.5490000000002,24.0,6.0,OS(=O)(=O)C1C=C(C(C=CC2C=CC=CC=2)=CC=1)N1N=C2C=CC3=CC(=CC=C3C2=N1)S(O)(=O)=O,3.3979400086720375,"2H-Naphtho[1,2-d]triazole-7-sulfonic acid, 2-[4-(2-phenylethenyl)-3-sulfophenyl]-, disodium salt"
OS(=O)(=O)C1C=C(C=C(C=1)C(O)=O)C(O)=O,4525.0,4.0,2.0,0.0,246.196,8.0,7.0,OS(=O)(=O)C1C=C(C=C(C=1)C(O)=O)C(O)=O,3.655618583541222,"1,3-Benzenedicarboxylic acid, 5-sulfo-, potassium salt (1:1)"
OS(=O)(=O)C1C=C(C=CC=1)N=NC1=CC=C(N=NC2=CC=C(NC3C=CC=CC=3)C3C2=CC=CC=3S(O)(=O)=O)C2=CC=CC=C12,6251.0,1.0,0.0,2.0,637.6990000000002,32.0,6.0,OS(=O)(=O)C1C=C(C=CC=1)N=NC1=CC=C(N=NC2=CC=C(NC3C=CC=CC=3)C3C2=CC=CC=3S(O)(=O)=O)C2=CC=CC=C12,3.7959494989028033,Acid Blue?113
OS(=O)(=O)C1C=C(C=CC=1)N=NC1C=CC(=CC=1)NC1C=CC=CC=1,7500.0,4.0,1.0,1.0,353.403,18.0,3.0,OS(=O)(=O)C1C=C(C=CC=1)N=NC1C=CC(=CC=1)NC1C=CC=CC=1,3.8750612633917,"Benzenesulfonic acid, 3-[2-[4-(phenylamino)phenyl]diazenyl]-, compd. with 2,2'-iminobis[ethanol] (1:1)"
OS(=O)(=O)C1C=C(C=CC=1C=CC1=CC=C(C=C1S(O)(=O)=O)NC1N=C(N=C(NC2C=CC=CC=2)N=1)N(CCO)CCO)NC1N=C(N=C(NC2C=CC=CC=2)N=1)N(CCO)CCO,2200.0,1.0,1.0,3.0,917.0,40.0,10.0,OS(=O)(=O)C1C=C(C=CC=1C=CC1=CC=C(C=C1S(O)(=O)=O)NC1N=C(N=C(NC2C=CC=CC=2)N=1)N(CCO)CCO)NC1N=C(N=C(NC2C=CC=CC=2)N=1)N(CCO)CCO,3.342422680822206,"Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, potassium sodium salt"
OS(=O)(=O)C1C=C(C=CC=1C=CC1=CC=C(C=C1S(O)(=O)=O)NC1N=C(NC2C=CC=CC=2)N=C(N=1)N(CCO)CCO)NC1=NC(=NC(NC2C=CC=CC=2)=N1)N(CCO)CCO,10001.0,1.0,1.0,3.0,917.0,40.0,10.0,OS(=O)(=O)C1C=C(C=CC=1C=CC1=CC=C(C=C1S(O)(=O)=O)NC1N=C(NC2C=CC=CC=2)N=C(N=1)N(CCO)CCO)NC1=NC(=NC(NC2C=CC=CC=2)=N1)N(CCO)CCO,4.000043427276863,C.I. Fluorescent Brightener 28 disodium salt
OS(=O)(=O)C1C=C(C=CC=1C=CC1=CC=C(C=C1S(O)(=O)=O)NC1N=C(NC2C=CC=CC=2)N=C(N=1)N1CCOCC1)NC1=NC(=NC(NC2C=CC=CC=2)=N1)N1CCOCC1,7531.0,1.0,0.0,4.0,880.9699999999999,40.0,8.0,OS(=O)(=O)C1C=C(C=CC=1C=CC1=CC=C(C=C1S(O)(=O)=O)NC1N=C(NC2C=CC=CC=2)N=C(N=1)N1CCOCC1)NC1=NC(=NC(NC2C=CC=CC=2)=N1)N1CCOCC1,3.8768526476013436,"Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-(4-morpholinyl)-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-, disodium salt"
OS(=O)(=O)C1C=C(Cl)C(Cl)=CC=1Cl,3500.0,3.0,3.0,0.0,261.513,6.0,3.0,OS(=O)(=O)C1C=C(Cl)C(Cl)=CC=1Cl,3.5440680443502757,"Benzenesulfonic acid, 2,4,5-trichloro-, sodium salt"
OS(=O)(=O)C1C=C(Cl)C=CC=1C=CC1C=CC(=CC=1S(O)(=O)=O)N1N=C2C=CC3C(=CC=CC=3S(O)(=O)=O)C2=N1,10001.0,2.0,0.0,1.0,622.0580000000003,24.0,9.0,OS(=O)(=O)C1C=C(Cl)C=CC=1C=CC1C=CC(=CC=1S(O)(=O)=O)N1N=C2C=CC3C(=CC=CC=3S(O)(=O)=O)C2=N1,4.000043427276863,
OS(=O)(=O)C1C=C(Cl)C=CC=1OC1=CC=C(Cl)C=C1NC(=O)NC1C=C(Cl)C(Cl)=CC=1,697.5,2.0,1.0,2.0,522.1930000000002,19.0,5.0,OS(=O)(=O)C1C=C(Cl)C=CC=1OC1=CC=C(Cl)C=C1NC(=O)NC1C=C(Cl)C(Cl)=CC=1,2.8435442119456353,Sulcofuron-sodium
OS(=O)(=O)C1C=C2C(=CC=1)C(=O)C1=CC=CC=C1C2=O,2000.0,4.0,3.0,0.0,288.28,14.0,5.0,OS(=O)(=O)C1C=C2C(=CC=1)C(=O)C1=CC=CC=C1C2=O,3.3010299956639813,"Sodium 9,10-dioxo-9,10-dihydroanthracene-2-sulfonate"
OS(=O)(=O)C1C=C2C(=CC=1)N=C(C1NC3=CC=C(C=C3C1=O)S(O)(=O)=O)C2=O,2250.0,4.0,2.0,0.0,422.3960000000001,16.0,8.0,OS(=O)(=O)C1C=C2C(=CC=1)N=C(C1NC3=CC=C(C=C3C1=O)S(O)(=O)=O)C2=O,3.3521825181113627,C.I. Acid Blue 74
OS(=O)(=O)C1C=C2C(N=NC3C=CC=CC=3S(=O)(=O)C3C=CC=CC=3)=C(NC2=CC=1)C1C=CC=CC=1,7500.0,1.0,1.0,2.0,517.5880000000002,26.0,5.0,OS(=O)(=O)C1C=C2C(N=NC3C=CC=CC=3S(=O)(=O)C3C=CC=CC=3)=C(NC2=CC=1)C1C=CC=CC=1,3.8750612633917,"1H-Indole-5-sulfonic acid, 2-phenyl-3-[2-[2-(phenylsulfonyl)phenyl]diazenyl]-, sodium salt (1:1)"
"OS(=O)(=O)C1C=C2C3=NC4NC(N=C5N=C(N=C6NC(=NC(=N3)C2=CC=1)C1=CC=CC=C16)C1=CC=CC=C15)=C1C=CC=CC1=4 |c:12,16,19,t:7|",3600.0,1.0,1.0,2.0,594.6160000000001,32.0,3.0,"OS(=O)(=O)C1C=C2C3=NC4NC(N=C5N=C(N=C6NC(=NC(=N3)C2=CC=1)C1=CC=CC=C16)C1=CC=CC=C15)=C1C=CC=CC1=4 |c:12,16,19,t:7|",3.5563025007672873,"Hydrogen [29H,31H-phthalocyaninesulphonato(3-)-N29,N30,N31,N32]cobaltate(1-)"
OS(=O)(=O)C1C=C2C=CC=C(CC3=CC=CC4C=C(C=CC=43)S(O)(=O)=O)C2=CC=1,3800.0,4.0,1.0,0.0,428.4870000000001,21.0,6.0,OS(=O)(=O)C1C=C2C=CC=C(CC3=CC=CC4C=C(C=CC=43)S(O)(=O)=O)C2=CC=1,3.57978359661681,"Naphthalenesulfonic acid, polymer with formaldehyde, sodium salt"
OS(=O)(=O)C1C=C2C=CC=CC2=CC=1,10001.0,4.0,2.0,0.0,208.238,10.0,3.0,OS(=O)(=O)C1C=C2C=CC=CC2=CC=1,4.000043427276863,Sodium 2-naphthalenesulfonate
OS(=O)(=O)C1C=CC(=CC=1)N1CCC(=N1)C1C=CC(Cl)=CC=1,5530.0,4.0,3.0,0.0,336.8,15.0,3.0,OS(=O)(=O)C1C=CC(=CC=1)N1CCC(=N1)C1C=CC(Cl)=CC=1,3.7427251313046983,Belophor
OS(=O)(=O)C1C=CC(=CC=1)NC1=NC(NC2C=C(C(C=CC3C=CC(=CC=3S(O)(=O)=O)NC3=NC(=NC(NC4C=CC(=CC=4)S(O)(=O)=O)=N3)N(CCO)CCO)=CC=2)S(O)(=O)=O)=NC(=N1)N(CCO)CCO,9345.0,1.0,1.0,3.0,1077.1279999999997,40.0,16.0,OS(=O)(=O)C1C=CC(=CC=1)NC1=NC(NC2C=C(C(C=CC3C=CC(=CC=3S(O)(=O)=O)NC3=NC(=NC(NC4C=CC(=CC=4)S(O)(=O)=O)=N3)N(CCO)CCO)=CC=2)S(O)(=O)=O)=NC(=N1)N(CCO)CCO,3.970579305714851,C.I. Fluorescent Brightener 220
OS(=O)(=O)C1C=CC(=CC=1)NC1N=C(Cl)N=C(Cl)N=1,2751.0,4.0,3.0,0.0,321.14500000000004,9.0,3.0,OS(=O)(=O)C1C=CC(=CC=1)NC1N=C(Cl)N=C(Cl)N=1,3.4394905903896835,"Benzenesulfonic acid, 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-, monosodium salt"
OS(=O)(=O)C1C=CC(Cl)=CC=1,500.0,3.0,2.0,0.0,192.623,6.0,3.0,OS(=O)(=O)C1C=CC(Cl)=CC=1,2.6989700043360187,"Benzenesulfonic acid, 4-chloro-, sodium salt (1:1)"
OS(=O)(=O)C1C=CC2C=C(C=CC=2C=1O)NC1=CC=CC2=C1C=CC(=C2O)S(O)(=O)=O,10001.0,4.0,0.0,0.0,461.4730000000002,20.0,8.0,OS(=O)(=O)C1C=CC2C=C(C=CC=2C=1O)NC1=CC=CC2=C1C=CC(=C2O)S(O)(=O)=O,4.000043427276863,"2-Naphthalenesulfonic acid, 5,6'-iminobis(1-hydroxy-"
OS(=O)(=O)C1C=CC=C2C=1C(=O)C1=CC=CC=C1C2=O,10001.0,4.0,3.0,0.0,288.28,14.0,5.0,OS(=O)(=O)C1C=CC=C2C=1C(=O)C1=CC=CC=C1C2=O,4.000043427276863,"1-Anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt (1:1)"
OS(=O)(=O)C1C=CC=C2C=C(C=C(NC3C=CC=CC=3)C2=1)NC1C=CC=CC=1,3500.0,4.0,1.0,1.0,390.4640000000001,22.0,3.0,OS(=O)(=O)C1C=CC=C2C=C(C=C(NC3C=CC=CC=3)C2=1)NC1C=CC=CC=1,3.5440680443502757,"1-Naphthalenesulfonic acid, 6,8-bis(phenylamino)-"
OS(=O)(=O)C1C=CC=CC=1,1552.0,1.0,2.0,0.0,158.178,6.0,3.0,OS(=O)(=O)C1C=CC=CC=1,3.1908917169221698,Benzenesulfonic acid
OS(=O)(=O)C1C=CC=CC=1C=CC1C=CC(=CC=1)C1C=CC(C=CC2C=CC=CC=2S(O)(=O)=O)=CC=1,5580.0,1.0,0.0,2.0,518.6120000000002,28.0,6.0,OS(=O)(=O)C1C=CC=CC=1C=CC1C=CC(=CC=1)C1C=CC(C=CC2C=CC=CC=2S(O)(=O)=O)=CC=1,3.7466341989375787,"Disodium 4,4'-bis(2-sulfostyryl)biphenyl"
OS(=O)(=O)CC1C=CC=CC=1,1000.0,3.0,2.0,0.0,172.205,7.0,3.0,OS(=O)(=O)CC1C=CC=CC=1,3.0,Benzenemethanesulfonic acid
OS(=O)(=O)CCBr,3500.0,2.0,2.0,0.0,189.02999999999997,2.0,3.0,OS(=O)(=O)CCBr,3.5440680443502757,2-Bromoethanesulfonic acid
OS(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,1150.0,4.0,0.0,0.0,428.16599999999994,8.0,3.0,OS(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,3.060697840353612,"1-Octanesulfonic acid, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-"
OS(=O)(=O)CCCN1CCOCC1,3500.0,3.0,2.0,0.0,209.2669999999999,7.0,4.0,OS(=O)(=O)CCCN1CCOCC1,3.5440680443502757,4-Morpholinepropanesulfonic acid
OS(=O)(=O)CCCNC1CCCCC1,3500.0,4.0,2.0,0.0,221.32199999999995,9.0,3.0,OS(=O)(=O)CCCNC1CCCCC1,3.5440680443502757,"1-Propanesulfonic acid, 3-(cyclohexylamino)-"
OS(=O)(=O)CCCS,3913.0,1.0,2.0,0.0,156.228,3.0,3.0,OS(=O)(=O)CCCS,3.59250984790068,"1-Propanesulfonic acid, 3-mercapto-"
OS(=O)(=O)CCCSC1=NC2=CC=CC=C2S1,2000.0,4.0,3.0,0.0,289.403,10.0,3.0,OS(=O)(=O)CCCSC1=NC2=CC=CC=C2S1,3.3010299956639813,"1-Propanesulfonic acid, 3-(2-benzothiazolylthio)-, sodium salt"
OS(=O)(=O)CCN1CCN(CC1)CCS(O)(=O)=O,3500.0,3.0,2.0,0.0,302.3740000000001,8.0,6.0,OS(=O)(=O)CCN1CCN(CC1)CCS(O)(=O)=O,3.5440680443502757,"1,4-Piperazinediethanesulfonic acid, dipotassium salt"
OS(=O)(=O)CCN1CCOCC1,3500.0,3.0,2.0,0.0,195.23999999999995,6.0,4.0,OS(=O)(=O)CCN1CCOCC1,3.5440680443502757,"4-Morpholineethanesulfonic acid, sodium salt (1:1)"
OS(=O)(=O)CCNC1CCCCC1,3500.0,4.0,2.0,0.0,207.29499999999993,8.0,3.0,OS(=O)(=O)CCNC1CCCCC1,3.5440680443502757,"Ethanesulfonic acid, 2-(cyclohexylamino)-"
OS(=O)(=O)CCS,4440.0,1.0,2.0,0.0,142.201,2.0,3.0,OS(=O)(=O)CCS,3.6473829701146196,Mesna
OS(=O)(=O)CCS(=O)(=O)C1=CC=C(C=C1)N1CCC(=N1)C1C=CC(Cl)=CC=1,3500.0,4.0,2.0,0.0,428.91900000000015,17.0,5.0,OS(=O)(=O)CCS(=O)(=O)C1=CC=C(C=C1)N1CCC(=N1)C1C=CC(Cl)=CC=1,3.5440680443502757,"Ethanesulfonic acid, 2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]-, sodium salt (1:1)"
OS(=O)(=O)CNNC(=O)C1=CC=NC=C1,10001.0,3.0,2.0,0.0,231.23300000000003,7.0,4.0,OS(=O)(=O)CNNC(=O)C1=CC=NC=C1,4.000043427276863,Isoniazid methanesulfonate
OS(=O)(=O)NC1CCCCC1,5640.5,4.0,2.0,0.0,179.24099999999993,6.0,3.0,OS(=O)(=O)NC1CCCCC1,3.7513176035606826,Sodium cyclamate
OS(=O)(=O)OC1C=CC(=CC=1)C(C1=CC=CC=N1)C1C=CC(=CC=1)OS(O)(=O)=O,10001.0,4.0,1.0,0.0,437.4510000000001,18.0,8.0,OS(=O)(=O)OC1C=CC(=CC=1)C(C1=CC=CC=N1)C1C=CC(=CC=1)OS(O)(=O)=O,4.000043427276863,Picosulfate sodium
OS(=O)(=O)OCCOC1=CC(Cl)=C(Cl)C=C1Cl,720.0,4.0,3.0,0.0,321.56500000000005,8.0,5.0,OS(=O)(=O)OCCOC1=CC(Cl)=C(Cl)C=C1Cl,2.8573324964312685,"Sodium 2-(2,4,5-trichlorophenoxy)ethyl sulfate"
OS(=O)(=O)OCCOC1=CC=C(Cl)C=C1Cl,863.0,4.0,3.0,0.0,287.12,8.0,5.0,OS(=O)(=O)OCCOC1=CC=C(Cl)C=C1Cl,2.9360107957152097,Sesone
OS(=O)C1C=CC(Cl)=CC=1,500.0,3.0,2.0,0.0,176.62399999999997,6.0,2.0,OS(=O)C1C=CC(Cl)=CC=1,2.6989700043360187,4-Chlorobenzenesulphinic acid
OS(=O)OC1C(OS(O)=O)C(OC2(COS(O)=O)OC(COS(O)=O)C(OS(O)=O)C2OS(O)=O)OC(COS(O)=O)C1OS(O)=O,3500.0,1.0,1.0,3.0,854.8170000000006,12.0,27.0,OS(=O)OC1C(OS(O)=O)C(OC2(COS(O)=O)OC(COS(O)=O)C(OS(O)=O)C2OS(O)=O)OC(COS(O)=O)C1OS(O)=O,3.5440680443502757,"Sucrose octasulfate, sodium salt"
OS(O)(=O)=O,1738.0,0.0,2.0,0.0,98.07899999999998,0.0,4.0,OS(O)(=O)=O,3.2400497721126476,Isopropylamine sulfate
O[Si](O)(C1C=CC=CC=1)C1C=CC=CC=1,3500.0,4.0,2.0,0.0,216.312,12.0,2.0,O[Si](O)(C1C=CC=CC=1)C1C=CC=CC=1,3.5440680443502757,"Silanediol, diphenyl-"
S=C(Cl)Cl,929.0,1.0,2.0,0.0,114.984,1.0,0.0,S=C(Cl)Cl,2.968015713993642,Thiophosgene
S=C(NC1C=CC=CC=1)NC1C=CC=CC=1,50.0,4.0,2.0,0.0,228.32,13.0,0.0,S=C(NC1C=CC=CC=1)NC1C=CC=CC=1,1.6989700043360187,Thiocarbanilide
S=C(NC1CCCCC1)NC1CCCCC1,500.0,4.0,2.0,0.0,240.4159999999999,13.0,0.0,S=C(NC1CCCCC1)NC1CCCCC1,2.6989700043360187,"N,N'-Dicyclohexylthiourea"
S=C(NNC1C=CC=CC=1)NNC1C=CC=CC=1,1500.0,4.0,3.0,0.0,258.35,13.0,0.0,S=C(NNC1C=CC=CC=1)NNC1C=CC=CC=1,3.1760912590556813,"Carbonothioic dihydrazide, 2,2'-diphenyl-"
S=C(SN1CCOCC1)N1CCOCC1,5155.0,4.0,2.0,0.0,248.37299999999993,9.0,2.0,S=C(SN1CCOCC1)N1CCOCC1,3.7122286696195355,N-Oxydiethylenethiocarbamyl-N'-oxydiethylenesulfenamide
S=C(SSC(=S)N(CC1C=CC=CC=1)CC1C=CC=CC=1)N(CC1C=CC=CC=1)CC1C=CC=CC=1,6251.0,1.0,0.0,2.0,544.8360000000004,30.0,0.0,S=C(SSC(=S)N(CC1C=CC=CC=1)CC1C=CC=CC=1)N(CC1C=CC=CC=1)CC1C=CC=CC=1,3.7959494989028033,Tetrabenzylthiuram disulfide
S=C(SSSSSSC(=S)N1CCCCC1)N1CCCCC1,2751.0,3.0,1.0,1.0,448.8420000000005,12.0,0.0,S=C(SSSSSSC(=S)N1CCCCC1)N1CCCCC1,3.4394905903896835,Bis(1-piperidinylthioxomethyl)hexasulfide
S=C1N=NC(NCNC2N=NC(=S)S2)S1,4640.0,4.0,3.0,0.0,278.413,5.0,0.0,S=C1N=NC(NCNC2N=NC(=S)S2)S1,3.6665179805548807,Chuan HUA 018
S=C1N=NC(S1)SSC1N=NC(=S)S1,6380.0,3.0,2.0,0.0,298.49,4.0,0.0,S=C1N=NC(S1)SSC1N=NC(=S)S1,3.8048206787211623,"1,3,4-Thiadiazole-2(3H)-thione, 5,5'-dithiobis-"
S=C1NC(=S)NC(=S)N1,5819.0,3.0,2.0,0.0,177.27900000000002,3.0,0.0,S=C1NC(=S)NC(=S)N1,3.7648483571934106,"1,3,5-Triazinane-2,4,6-trithione"
S=C1NC2=CC=CC=C2N1,215.0,2.0,2.0,0.0,150.206,7.0,0.0,S=C1NC2=CC=CC=C2N1,2.3324384599156054,2-Mercaptobenzimidazole
S=C1NC2C=C(Cl)C=CC=2N1,150.0,3.0,2.0,0.0,184.651,7.0,0.0,S=C1NC2C=C(Cl)C=CC=2N1,2.1760912590556813,"2-Benzimidazolinethione, 5-chloro-"
S=C1NC=NC2NC=NC=21,277.0,1.0,2.0,0.0,152.182,5.0,0.0,S=C1NC=NC2NC=NC=21,2.4424797690644486,6-Mercaptopurine
S=C1NCCC(COC2C=CC=CC=2)O1,2200.0,4.0,2.0,0.0,223.29700000000005,11.0,2.0,S=C1NCCC(COC2C=CC=CC=2)O1,3.342422680822206,
S=C1NCCN1,900.0,0.0,2.0,0.0,102.162,3.0,0.0,S=C1NCCN1,2.9542425094393248,Ethylene thiourea
S=C1NCCNC(=S)S1,240.0,3.0,2.0,0.0,178.30700000000002,4.0,0.0,S=C1NCCNC(=S)S1,2.380211241711606,"Tetrahydro-1,3,6-thiadiazepine-2,7-dithione"
S=C1NCCS1,300.0,1.0,2.0,0.0,119.214,3.0,0.0,S=C1NCCS1,2.4771212547196626,2-Thiazolidinethione
S=C1SC(=S)NN1C1C=CC=CC=1,763.0,3.0,2.0,0.0,226.351,8.0,0.0,S=C1SC(=S)NN1C1C=CC=CC=1,2.8825245379548803,"2H-1,3,4-Thiadiazole-2-thione, 5-mercapto-3-phenyl-"
S=C1SC2N=C3C=CC=CC3=NC=2S1,2400.0,3.0,1.0,0.0,236.34600000000003,9.0,0.0,S=C1SC2N=C3C=CC=CC3=NC=2S1,3.380211241711606,Thioquinox
S=C1SSC2=NCCN21,380.0,3.0,2.0,0.0,176.291,4.0,0.0,S=C1SSC2=NCCN21,2.57978359661681,ETEM [BSI]
S=C=NC1=CC=CC2=CC=CC=C21,200.0,4.0,1.0,0.0,185.251,11.0,0.0,S=C=NC1=CC=CC2=CC=CC=C21,2.3010299956639813,alpha-Naphylisothiocyanate
S=C=NC1C=CC(=CC=1)N=C=S,21.0,3.0,2.0,0.0,192.268,8.0,0.0,S=C=NC1C=CC(=CC=1)N=C=S,1.3222192947339193,Bitoscanate
S=C=NCCN=C=S,112.0,1.0,2.0,0.0,144.22400000000002,4.0,0.0,S=C=NCCN=C=S,2.0492180226701815,Ethylenebis(isothiocyanate)
S=C=S,2349.0,1.0,2.0,0.0,76.14500000000001,1.0,0.0,S=C=S,3.370883016777606,Carbon disulfide
S=P(N1CC1)(N1CC1)N1CC1,23.0,4.0,2.0,0.0,189.22399999999996,6.0,0.0,S=P(N1CC1)(N1CC1)N1CC1,1.3617278360175928,Thiotepa
S=P(OC1C=CC=CC=1)(OC1C=CC=CC=1)OC1C=CC=CC=1,10000.0,4.0,2.0,1.0,342.35600000000005,18.0,3.0,S=P(OC1C=CC=CC=1)(OC1C=CC=CC=1)OC1C=CC=CC=1,4.0,"Phosphorothioic acid, O,O,O-triphenyl ester"
SC(=S)N(CC1C=CC=CC=1)CC1C=CC=CC=1,3500.0,4.0,2.0,0.0,273.42600000000004,15.0,0.0,SC(=S)N(CC1C=CC=CC=1)CC1C=CC=CC=1,3.5440680443502757,"Carbamodithioic acid, bis(phenylmethyl)-, sodium salt"
SC(=S)NCCNC(S)=S,2889.0,3.0,2.0,0.0,212.39000000000004,4.0,0.0,SC(=S)NCCNC(S)=S,3.460747541844197,Ethylenebis[dithiocarbamic acid]
SC(S)=NCCN=C(S)S,395.0,3.0,2.0,0.0,212.39,4.0,0.0,SC(S)=NCCN=C(S)S,2.59659709562646,Ambam
SC1=NC2=CC=CC=C2S1,4350.0,3.0,2.0,0.0,167.25799999999998,7.0,0.0,SC1=NC2=CC=CC=C2S1,3.6384892569546374,Sodium 2-mercaptobenzothiolate
SC1=NC2C=CC=CC=2S1,3975.0,3.0,2.0,0.0,167.25799999999998,7.0,0.0,SC1=NC2C=CC=CC=2S1,3.5993371329924893,2-Mercaptobenzothiazole
SC1C(Cl)=C(Cl)C(Cl)=C(Cl)C=1Cl,10001.0,3.0,2.0,1.0,282.406,6.0,0.0,SC1C(Cl)=C(Cl)C(Cl)=C(Cl)C=1Cl,4.000043427276863,Pentachlorobenzenethiol
SC1C=CC=CC=1,46.1,1.0,2.0,0.0,110.18099999999995,6.0,0.0,SC1C=CC=CC=1,1.6637009253896482,Benzenethiol
SCC1=CN=CC=N1,1700.0,1.0,2.0,0.0,126.18399999999998,5.0,0.0,SCC1=CN=CC=N1,3.230448921378274,Pyrazinemethanethiol
SCC1C=CC=CC=1,493.0,1.0,2.0,0.0,124.20799999999996,7.0,0.0,SCC1C=CC=CC=1,2.69284691927723,Benzenemethanethiol
SCCC1=CN=CC=N1,158.0,1.0,2.0,0.0,140.21099999999998,6.0,0.0,SCCC1=CN=CC=N1,2.1986570869544226,Pyrazineethanethiol
SCCOCCOCCS,175.0,4.0,1.0,0.0,182.31,6.0,2.0,SCCOCCOCCS,2.2430380486862944,"2,2'-[Ethane-1,2-diylbis(oxy)]diethanethiol"
SCCS,120.0,1.0,2.0,0.0,94.204,2.0,0.0,SCCS,2.0791812460476247,"Ethane-1,2-dithiol"
SCCSCC(CS)SCCS,3577.0,4.0,2.0,0.0,260.53999999999996,7.0,0.0,SCCSCC(CS)SCCS,3.5535189401489697,"1-Propanethiol, 2,3-bis[(2-mercaptoethyl)thio]-"
SCCSCCS,194.0,2.0,2.0,0.0,154.32500000000002,4.0,0.0,SCCSCCS,2.287801729930226,"2,2'-Sulfanediyldiethanethiol"
[BH3-][NH2+]C(C)(C)C,96.0,1.0,2.0,0.0,86.97499999999998,4.0,0.0,[BH3-][NH2+]C(C)(C)C,1.9822712330395684,
[BH3-][O+]1CCCC1,1250.0,1.0,2.0,0.0,85.94300000000001,4.0,1.0,[BH3-][O+]1CCCC1,3.0969100130080562,Tetrahydrofuran--borane
[C-]#[SiH+],3500.0,0.0,2.0,0.0,41.105,1.0,0.0,[C-]#[SiH+],3.5440680443502757,Silicon carbide
[C],5563.0,1.0,2.0,0.0,12.011,1.0,0.0,[C],3.745309059940828,Carbon
[N-]=[N+]=C1C2C=CC(=CC=2C(=CC1=O)S(O)(=O)=O)[N+]([O-])=O,3522.0,4.0,3.0,0.0,295.232,10.0,6.0,[N-]=[N+]=C1C2C=CC(=CC=2C(=CC1=O)S(O)(=O)=O)[N+]([O-])=O,3.5467893516312583,"1-Naphthalenesulfonic acid, 4-diazo-3,4-dihydro-7-nitro-3-oxo-"
[N-]=[N+]=CC(=O)OCC(N)C(O)=O,170.0,1.0,2.0,0.0,173.128,5.0,4.0,[N-]=[N+]=CC(=O)OCC(N)C(O)=O,2.230448921378274,Azaserine
[O-]C(=O)C1=C(CSC2C(NC(=O)CC3=CC=CS3)C(=O)N12)C[N+]1C=CC=CC=1,2500.0,4.0,2.0,0.0,415.4960000000001,19.0,4.0,[O-]C(=O)C1=C(CSC2C(NC(=O)CC3=CC=CS3)C(=O)N12)C[N+]1C=CC=CC=1,3.3979400086720375,Cephaloridine
[O-]N1C2=CC=CC=C2[N+](=O)C2CCCCC1=2,1356.0,4.0,2.0,0.0,216.23999999999992,12.0,2.0,[O-]N1C2=CC=CC=C2[N+](=O)C2CCCCC1=2,3.1322596895310446,"Phenazine, 1,2,3,4-tetrahydro-, 5,10-dioxide"
[O-]S(=O)(=O)CCC[N+]1C=CC=CC=1,6251.0,4.0,2.0,0.0,201.247,8.0,3.0,[O-]S(=O)(=O)CCC[N+]1C=CC=CC=1,3.7959494989028033,3-(Pyridinium-1-yl)propane-1-sulfonate
[O-]S(=O)(=O)CCN1CC[NH+](CCO)CC1,2751.0,3.0,2.0,0.0,238.3089999999999,8.0,4.0,[O-]S(=O)(=O)CCN1CC[NH+](CCO)CC1,3.4394905903896835,(4-(2-Hydroxyethyl)-1-piperazineethanesulfonic acid
[O-][N+](=NC1C=CC=CC=1)C1C=CC=CC=1,620.0,4.0,1.0,0.0,198.225,12.0,1.0,[O-][N+](=NC1C=CC=CC=1)C1C=CC=CC=1,2.792391689498254,Azoxybenzene
[O-][N+](=O)/N=C1NCCN1CC1C=CC(Cl)=NC=1,450.0,4.0,3.0,0.0,255.665,9.0,2.0,[O-][N+](=O)/N=C1NCCN1CC1C=CC(Cl)=NC=1,2.6532125137753435,Imidacloprid
[O-][N+](=O)C(Br)(Br)CO,29.1,2.0,2.0,0.0,248.858,2.0,3.0,[O-][N+](=O)C(Br)(Br)CO,1.4638929889859074,"Ethanol, 2,2-dibromo-2-nitro-"
[O-][N+](=O)C(Br)(CO)CO,275.0,1.0,2.0,0.0,199.988,3.0,4.0,[O-][N+](=O)C(Br)(CO)CO,2.439332693830263,Bronopol
[O-][N+](=O)C(Br)Br,86.0,2.0,2.0,0.0,218.832,1.0,2.0,[O-][N+](=O)C(Br)Br,1.9344984512435677,Dibromonitromethane
[O-][N+](=O)C(CO)(CO)CO,1900.0,0.0,2.0,0.0,151.118,4.0,5.0,[O-][N+](=O)C(CO)(CO)CO,3.278753600952829,"2-(Hydroxymethyl)-2-nitro-1,3-propanediol"
[O-][N+](=O)C(Cl)(Cl)Cl,118.0,2.0,2.0,0.0,164.37500000000003,1.0,2.0,[O-][N+](=O)C(Cl)(Cl)Cl,2.0718820073061255,Chloropicrin
[O-][N+](=O)C(F)(COCC(COCC(F)([N+]([O-])=O)[N+]([O-])=O)(N(F)F)N(F)F)[N+]([O-])=O,812.0,4.0,1.0,2.0,450.161,7.0,10.0,[O-][N+](=O)C(F)(COCC(COCC(F)([N+]([O-])=O)[N+]([O-])=O)(N(F)F)N(F)F)[N+]([O-])=O,2.9095560292411755,"2,2-Propanediamine, N,N,N',N'-tetrafluoro-1,3-bis(2-fluoro-2,2-dinitroethoxy)-"
[O-][N+](=O)C(F)(COCOCC(F)([N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O,2400.0,3.0,2.0,0.0,320.1170000000001,5.0,10.0,[O-][N+](=O)C(F)(COCOCC(F)([N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O,3.380211241711606,"Ethane, 1,1'-[methylenebis(oxy)]bis[2-fluoro-2,2-dinitro-"
[O-][N+](=O)C([N+]([O-])=O)([N+]([O-])=O)[N+]([O-])=O,137.0,1.0,2.0,0.0,196.031,1.0,8.0,[O-][N+](=O)C([N+]([O-])=O)([N+]([O-])=O)[N+]([O-])=O,2.1367205671564067,Tetranitromethane
[O-][N+](=O)C1(Br)COCOC1,455.0,2.0,2.0,0.0,211.99899999999997,4.0,4.0,[O-][N+](=O)C1(Br)COCOC1,2.6580113966571126,"5-Bromo-5-nitro-1,3-dioxane"
[O-][N+](=O)C1=C(C=CC=C1Cl)C1=CNC=C1Cl,3500.0,4.0,2.0,0.0,257.076,10.0,2.0,[O-][N+](=O)C1=C(C=CC=C1Cl)C1=CNC=C1Cl,3.5440680443502757,Pyrrolnitrin
[O-][N+](=O)C1=C(Cl)C(Cl)=CC(Cl)=C1Cl,1005.0,3.0,2.0,0.0,260.891,6.0,2.0,[O-][N+](=O)C1=C(Cl)C(Cl)=CC(Cl)=C1Cl,3.002166061756508,"2,3,5,6-Tetrachloronitrobenzene"
[O-][N+](=O)C1=C2N=C(NC2=CC(Cl)=C1Cl)C(F)(F)F,91.0,4.0,2.0,0.0,300.023,8.0,2.0,[O-][N+](=O)C1=C2N=C(NC2=CC(Cl)=C1Cl)C(F)(F)F,1.9590413923210936,"Benzimidazole, 5,6-dichloro-4-nitro-2-(trifluoromethyl)-"
[O-][N+](=O)C1=CC(=C(C=C1)C=CC1=CC=C(C=C1S(O)(=O)=O)[N+]([O-])=O)S(O)(=O)=O,10001.0,4.0,1.0,0.0,430.3720000000001,14.0,10.0,[O-][N+](=O)C1=CC(=C(C=C1)C=CC1=CC=C(C=C1S(O)(=O)=O)[N+]([O-])=O)S(O)(=O)=O,4.000043427276863,"Disodium 4,4'-dinitro-2,2'-stilbenedisulfonate"
[O-][N+](=O)C1=CC(=C(C=C1)N=NC1=C(O)C=CC2=CC=CC=C21)[N+]([O-])=O,10001.0,4.0,2.0,0.0,338.2790000000001,16.0,5.0,[O-][N+](=O)C1=CC(=C(C=C1)N=NC1=C(O)C=CC2=CC=CC=C21)[N+]([O-])=O,4.000043427276863,C.I. Pigment Orange 5
[O-][N+](=O)C1=CC(=C(C=C1)ON=CC1=CC(Br)=C(O)C(Br)=C1)[N+]([O-])=O,1100.0,4.0,1.0,0.0,461.0220000000001,13.0,6.0,[O-][N+](=O)C1=CC(=C(C=C1)ON=CC1=CC(Br)=C(O)C(Br)=C1)[N+]([O-])=O,3.041392685158225,Bromofenoxim
[O-][N+](=O)C1=CC(=C(Cl)C(=C1NC1N=CC(=CC=1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F,5288.0,3.0,1.0,1.0,465.0930000000001,13.0,4.0,[O-][N+](=O)C1=CC(=C(Cl)C(=C1NC1N=CC(=CC=1Cl)C(F)(F)F)[N+]([O-])=O)C(F)(F)F,3.723291446477584,Fluazinam
[O-][N+](=O)C1=CC(=C(O)C(=C1)C1CCCCC1)[N+]([O-])=O,131.5,4.0,3.0,0.0,266.25299999999993,12.0,5.0,[O-][N+](=O)C1=CC(=C(O)C(=C1)C1CCCCC1)[N+]([O-])=O,2.1189257528257768,Dinex
[O-][N+](=O)C1=CC(=C(O)C(=C1)[N+]([O-])=O)[N+]([O-])=O,200.0,3.0,2.0,0.0,229.104,6.0,7.0,[O-][N+](=O)C1=CC(=C(O)C(=C1)[N+]([O-])=O)[N+]([O-])=O,2.3010299956639813,Ammonium picrate
[O-][N+](=O)C1=CC(=C2C(=C1)C(=O)C1C=C(C=CC2=1)[N+]([O-])=O)[N+]([O-])=O,9910.0,4.0,3.0,0.0,315.19700000000006,13.0,7.0,[O-][N+](=O)C1=CC(=C2C(=C1)C(=O)C1C=C(C=CC2=1)[N+]([O-])=O)[N+]([O-])=O,3.9960736544852753,"2,4,7-Trinitrofluoren-9-one"
[O-][N+](=O)C1=CC(=CC(=C1Cl)[N+]([O-])=O)C(F)(F)F,930.0,3.0,3.0,0.0,270.54999999999995,7.0,4.0,[O-][N+](=O)C1=CC(=CC(=C1Cl)[N+]([O-])=O)C(F)(F)F,2.9684829485539352,"2-Chloro-1,3-dinitro-5-(trifluoromethyl)benzene"
[O-][N+](=O)C1=CC(=CC(=C1NC1=CC(=CC=C1Cl)C(F)(F)F)C(F)(F)F)[N+]([O-])=O,94.0,3.0,1.0,1.0,429.66,14.0,4.0,[O-][N+](=O)C1=CC(=CC(=C1NC1=CC(=CC=C1Cl)C(F)(F)F)C(F)(F)F)[N+]([O-])=O,1.9731278535996986,Fentrifanil
[O-][N+](=O)C1=CC(=CC=C1)C(F)(F)F,610.0,2.0,2.0,0.0,191.10799999999995,7.0,2.0,[O-][N+](=O)C1=CC(=CC=C1)C(F)(F)F,2.785329835010767,1-Nitro-3-(trifluoromethyl)benzene
[O-][N+](=O)C1=CC(=CC=C1)NC(=O)C1=CC2C=CC=CC=2C=C1O,7500.0,4.0,2.0,0.0,308.29300000000006,17.0,4.0,[O-][N+](=O)C1=CC(=CC=C1)NC(=O)C1=CC2C=CC=CC=2C=C1O,3.8750612633917,3-Hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide
[O-][N+](=O)C1=CC(=CC=C1Cl)C(O)=O,3150.0,3.0,2.0,0.0,201.56499999999997,7.0,4.0,[O-][N+](=O)C1=CC(=CC=C1Cl)C(O)=O,3.4983105537896004,"Benzoic acid, 4-chloro-3-nitro-"
[O-][N+](=O)C1=CC(=CC=C1Cl)S(O)(=O)=O,10001.0,3.0,2.0,0.0,237.62,6.0,5.0,[O-][N+](=O)C1=CC(=CC=C1Cl)S(O)(=O)=O,4.000043427276863,"Benzenesulfonic acid, 4-chloro-3-nitro-, potassium salt"
[O-][N+](=O)C1=CC(=CC=C1NC1C=CC=CC=1)S(=O)(=O)NC1C=CC=CC=1,5626.0,4.0,1.0,0.0,369.4020000000001,18.0,4.0,[O-][N+](=O)C1=CC(=CC=C1NC1C=CC=CC=1)S(=O)(=O)NC1C=CC=CC=1,3.750199727829182,C.I.Disperse Yellow 42
[O-][N+](=O)C1=CC(Br)=CC2NC(=NC=21)C(F)(F)F,1.23,4.0,3.0,0.0,310.029,8.0,2.0,[O-][N+](=O)C1=CC(Br)=CC2NC(=NC=21)C(F)(F)F,0.08990511143939793,"Benzimidazole, 6-bromo-4-nitro-2-(trifluoromethyl)-"
[O-][N+](=O)C1=CC(Cl)=C(C=C1)NS(=O)(=O)C1=CC(=C(Cl)C=C1)C(F)(F)F,132.0,4.0,1.0,0.0,415.176,13.0,4.0,[O-][N+](=O)C1=CC(Cl)=C(C=C1)NS(=O)(=O)C1=CC(=C(Cl)C=C1)C(F)(F)F,2.12057393120585,Flusulfamide
[O-][N+](=O)C1=CC(Cl)=C(N=NC2C=CC(=CC=2)N2CCS(=O)(=O)CC2)C(Cl)=C1,3200.0,4.0,1.0,0.0,429.2850000000002,16.0,4.0,[O-][N+](=O)C1=CC(Cl)=C(N=NC2C=CC(=CC=2)N2CCS(=O)(=O)CC2)C(Cl)=C1,3.505149978319906,"4-{4-[(2,6-Dichloro-4-nitrophenyl)diazenyl]phenyl}thiomorpholine 1,1-dioxide"
[O-][N+](=O)C1=CC(Cl)=CC(C(O)=O)=C1Cl,3500.0,3.0,2.0,0.0,236.01,7.0,4.0,[O-][N+](=O)C1=CC(Cl)=CC(C(O)=O)=C1Cl,3.5440680443502757,"2,5-Dichloro-3-nitrobenzoic acid"
[O-][N+](=O)C1=CC(Cl)=CC(C2C=C(Cl)C=C(C=2O)[N+]([O-])=O)=C1O,10.0,4.0,2.0,0.0,345.0940000000001,12.0,6.0,[O-][N+](=O)C1=CC(Cl)=CC(C2C=C(Cl)C=C(C=2O)[N+]([O-])=O)=C1O,1.0,Menichlopholan
[O-][N+](=O)C1=CC(I)=C(O)C(I)=C1,170.0,3.0,2.0,0.0,390.902,6.0,3.0,[O-][N+](=O)C1=CC(I)=C(O)C(I)=C1,2.230448921378274,"2,6-Diiodo-4-nitrophenol"
[O-][N+](=O)C1=CC(OC(=O)OC2C=C(C(Cl)=CC=2Cl)[N+]([O-])=O)=C(Cl)C=C1Cl,3500.0,3.0,1.0,1.0,441.99400000000014,13.0,7.0,[O-][N+](=O)C1=CC(OC(=O)OC2C=C(C(Cl)=CC=2Cl)[N+]([O-])=O)=C(Cl)C=C1Cl,3.5440680443502757,"Bis(2,4-dichloro-5-nitrophenyl) carbonate"
[O-][N+](=O)C1=CC2C(=NCC(=O)NC=2C=C1)C1=CC=CC=C1Cl,10001.0,4.0,3.0,0.0,315.716,15.0,3.0,[O-][N+](=O)C1=CC2C(=NCC(=O)NC=2C=C1)C1=CC=CC=C1Cl,4.000043427276863,Clonazepam
[O-][N+](=O)C1=CC2C(=NON=2=O)C(=C1)[N+]([O-])=O,1100.0,3.0,2.0,0.0,226.104,6.0,6.0,[O-][N+](=O)C1=CC2C(=NON=2=O)C(=C1)[N+]([O-])=O,3.041392685158225,"2,1,3-Benzoxadiazole, 4,6-dinitro-, 1-oxide"
[O-][N+](=O)C1=CC2C3=CC=CC=C3C=CC=2O1,439.0,4.0,2.0,0.0,213.192,12.0,3.0,[O-][N+](=O)C1=CC2C3=CC=CC=C3C=CC=2O1,2.6424645202421213,"2-Nitronaphtho(2,1-b)furan"
[O-][N+](=O)C1=CC2NC=NC=2C=C1,1600.0,3.0,2.0,0.0,163.136,7.0,2.0,[O-][N+](=O)C1=CC2NC=NC=2C=C1,3.2041199826559246,"1H-Benzimidazole, 6-nitro-, nitrate (1:1)"
[O-][N+](=O)C1=CC2SC(NC(=O)C3C=CC(=CC=3)[N+]([O-])=O)=NC=2C=C1,1500.0,4.0,3.0,0.0,344.30800000000005,14.0,5.0,[O-][N+](=O)C1=CC2SC(NC(=O)C3C=CC(=CC=3)[N+]([O-])=O)=NC=2C=C1,3.1760912590556813,"Benzothiazole, 6-nitro-2-(p-nitrobenzoylamino)-"
[O-][N+](=O)C1=CC=C(C=C1C(O)=O)OC1=CC=C(C=C1Cl)C(F)(F)F,1480.0,4.0,1.0,0.0,361.6590000000001,14.0,5.0,[O-][N+](=O)C1=CC=C(C=C1C(O)=O)OC1=CC=C(C=C1Cl)C(F)(F)F,3.1702617153949575,Acifluorfen-sodium
[O-][N+](=O)C1=CC=C(C=NN2CC(=O)NC2=O)O1,604.0,4.0,2.0,0.0,238.15899999999996,8.0,5.0,[O-][N+](=O)C1=CC=C(C=NN2CC(=O)NC2=O)O1,2.7810369386211318,Nitrofurantoin
[O-][N+](=O)C1=CC=C(C=NN2CCNC2=O)O1,1681.0,4.0,2.0,0.0,224.176,8.0,4.0,[O-][N+](=O)C1=CC=C(C=NN2CCNC2=O)O1,3.225567713439471,1-[(5-Nitrofurfurylidene)amino]-2-imidazolidinone
[O-][N+](=O)C1=CC=C(C=NN2CCOC2=O)O1,2336.0,4.0,2.0,0.0,225.16,8.0,5.0,[O-][N+](=O)C1=CC=C(C=NN2CCOC2=O)O1,3.3684728384403617,Furazolidone
[O-][N+](=O)C1=CC=C(CN=NC(=O)CN2CCOCC2)O1,420.0,4.0,3.0,0.0,282.25600000000003,11.0,5.0,[O-][N+](=O)C1=CC=C(CN=NC(=O)CN2CCOCC2)O1,2.6232492903979003,"4-Morpholineacetic acid, (5-nitrofurfurylidene)hydrazide"
[O-][N+](=O)C1=CC=C(Cl)C=C1Cl,684.0,3.0,2.0,0.0,192.001,6.0,2.0,[O-][N+](=O)C1=CC=C(Cl)C=C1Cl,2.835056101720116,"2,4-Dichloronitrobenzene"
[O-][N+](=O)C1=CC=C(F)C=C1F,200.0,1.0,2.0,0.0,159.09099999999998,6.0,2.0,[O-][N+](=O)C1=CC=C(F)C=C1F,2.3010299956639813,"2,4-Difluoronitrobenzene"
[O-][N+](=O)C1=CC=C(O)C2N=CC=CC1=2,510.0,4.0,2.0,0.0,190.158,9.0,3.0,[O-][N+](=O)C1=CC=C(O)C2N=CC=CC1=2,2.7075701760979363,Nitroxoline
[O-][N+](=O)C1=CC=CC(Cl)=C1Cl,446.0,3.0,2.0,0.0,192.001,6.0,2.0,[O-][N+](=O)C1=CC=CC(Cl)=C1Cl,2.649334858712142,"2,3-Dichloronitrobenzene"
[O-][N+](=O)C1=CC=CC2C1=CC=CC=2[N+]([O-])=O,116.0,4.0,2.0,0.0,218.168,10.0,4.0,[O-][N+](=O)C1=CC=CC2C1=CC=CC=2[N+]([O-])=O,2.0644579892269186,"1,5-Dinitronaphthalene"
[O-][N+](=O)C1=CC=CC=C1C1C=CC=CC=1,1230.0,4.0,2.0,0.0,199.209,12.0,2.0,[O-][N+](=O)C1=CC=CC=C1C1C=CC=CC=1,3.089905111439398,"2-Nitro-1,1'-biphenyl"
[O-][N+](=O)C1=CN=C(S1)N1CCNC1=O,900.0,4.0,2.0,0.0,214.206,6.0,3.0,[O-][N+](=O)C1=CN=C(S1)N1CCNC1=O,2.9542425094393248,Niridazole
[O-][N+](=O)C1=CN=CN1CCN1CCOCC1,1540.0,4.0,2.0,0.0,226.23599999999993,9.0,3.0,[O-][N+](=O)C1=CN=CN1CCN1CCOCC1,3.187520720836463,Nimorazole
[O-][N+](=O)C1=CNC=N1,600.0,1.0,2.0,0.0,113.076,3.0,2.0,[O-][N+](=O)C1=CNC=N1,2.7781512503836434,"1H-Imidazole, 4-nitro-"
[O-][N+](=O)C1C(Cl)=C(Cl)C(Cl)=C(Cl)C=1Cl,1550.0,3.0,2.0,0.0,295.336,6.0,2.0,[O-][N+](=O)C1C(Cl)=C(Cl)C(Cl)=C(Cl)C=1Cl,3.1903316981702914,Pentachloronitrobenzene
[O-][N+](=O)C1C(Cl)=C(Cl)C2NC(=NC=2C=1Cl)C(F)(F)F,14.656,4.0,2.0,0.0,334.4680000000001,8.0,2.0,[O-][N+](=O)C1C(Cl)=C(Cl)C2NC(=NC=2C=1Cl)C(F)(F)F,1.1660154563237752,"Benzimidazole, 5-nitro-4,6,7-trichloro-2-(trifluoromethyl)-"
[O-][N+](=O)C1C2=C(C=CC=1C(O)=O)C(=O)C1=CC=CC=C1C2=O,3500.0,4.0,3.0,0.0,297.222,15.0,6.0,[O-][N+](=O)C1C2=C(C=CC=1C(O)=O)C(=O)C1=CC=CC=C1C2=O,3.5440680443502757,1-Nitro-2-carboxyanthraquinone
[O-][N+](=O)C1C=C(C(=CC=1)NC1C=CC(O)=CC=1)[N+]([O-])=O,10001.0,4.0,3.0,0.0,275.22,12.0,5.0,[O-][N+](=O)C1C=C(C(=CC=1)NC1C=CC(O)=CC=1)[N+]([O-])=O,4.000043427276863,"4-(2,4-Dinitroanilino)phenol"
[O-][N+](=O)C1C=C(C(C=CC2=CC=C(C=C2S(O)(=O)=O)[N+]([O-])=O)=CC=1)S(O)(=O)=O,10001.0,4.0,1.0,0.0,430.3720000000001,14.0,10.0,[O-][N+](=O)C1C=C(C(C=CC2=CC=C(C=C2S(O)(=O)=O)[N+]([O-])=O)=CC=1)S(O)(=O)=O,4.000043427276863,"4,4'-Dinitro-2,2'-stilbenesulfonic acid"
[O-][N+](=O)C1C=C(C(F)=CC=1F)[N+]([O-])=O,50.0,2.0,2.0,0.0,204.08799999999997,6.0,4.0,[O-][N+](=O)C1C=C(C(F)=CC=1F)[N+]([O-])=O,1.6989700043360187,"Benzene, 1,5-difluoro-2,4-dinitro-"
[O-][N+](=O)C1C=C(C(NC2N=C(NC3C(=CC(=CC=3[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)C(=CC=2[N+]([O-])=O)[N+]([O-])=O)=C(C=1)[N+]([O-])=O)[N+]([O-])=O,7500.0,2.0,0.0,3.0,621.3040000000003,17.0,16.0,[O-][N+](=O)C1C=C(C(NC2N=C(NC3C(=CC(=CC=3[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)C(=CC=2[N+]([O-])=O)[N+]([O-])=O)=C(C=1)[N+]([O-])=O)[N+]([O-])=O,3.8750612633917,"2,6-Pyridinediamine, 3,5-dinitro-N,N'-bis(2,4,6-trinitrophenyl)-"
[O-][N+](=O)C1C=C(C(O)=C(C=1)C(O)=O)[N+]([O-])=O,860.0,4.0,2.0,0.0,228.116,7.0,7.0,[O-][N+](=O)C1C=C(C(O)=C(C=1)C(O)=O)[N+]([O-])=O,2.934498451243568,"Benzoic acid, 2-hydroxy-3,5-dinitro-"
[O-][N+](=O)C1C=C(C=C(C=1)C(O)=O)C(O)=O,4195.5,4.0,2.0,0.0,211.129,8.0,6.0,[O-][N+](=O)C1C=C(C=C(C=1)C(O)=O)C(O)=O,3.6227837254272086,Zinc 5-nitroisophthalate
[O-][N+](=O)C1C=C(C=C(C=1)[N+]([O-])=O)[N+]([O-])=O,262.5,3.0,2.0,0.0,213.105,6.0,6.0,[O-][N+](=O)C1C=C(C=C(C=1)[N+]([O-])=O)[N+]([O-])=O,2.4191293077419758,"1,3,5-Trinitrobenzene"
[O-][N+](=O)C1C=C(C=CC=1)S(O)(=O)=O,9250.0,3.0,2.0,0.0,203.175,6.0,5.0,[O-][N+](=O)C1C=C(C=CC=1)S(O)(=O)=O,3.9661417327390325,Sodium 3-nitrobenzenesulfonate
[O-][N+](=O)C1C=C(C=CC=1)[N+]([O-])=O,76.125,2.0,2.0,0.0,168.10799999999998,6.0,4.0,[O-][N+](=O)C1C=C(C=CC=1)[N+]([O-])=O,1.8815273056409318,"1,3-Dinitrobenzene"
[O-][N+](=O)C1C=C(C=CC=1Cl)C(F)(F)F,1075.0,3.0,2.0,0.0,225.553,7.0,2.0,[O-][N+](=O)C1C=C(C=CC=1Cl)C(F)(F)F,3.031408464251624,1-Chloro-2-nitro-4-(trifluoromethyl)benzene
[O-][N+](=O)C1C=C(C=CC=1Cl)[N+]([O-])=O,898.0,3.0,2.0,0.0,202.55299999999997,6.0,4.0,[O-][N+](=O)C1C=C(C=CC=1Cl)[N+]([O-])=O,2.9532763366673045,"1-Chloro-2,4-dinitrobenzene"
[O-][N+](=O)C1C=C(C=CC=1NCCO)N(CCO)CCO,1813.0,4.0,2.0,0.0,285.3,12.0,5.0,[O-][N+](=O)C1C=C(C=CC=1NCCO)N(CCO)CCO,3.258397804095509,HC Blue 2
[O-][N+](=O)C1C=C(C=CC=1O)[N+]([O-])=O,40.0,3.0,2.0,0.0,184.10699999999997,6.0,5.0,[O-][N+](=O)C1C=C(C=CC=1O)[N+]([O-])=O,1.6020599913279623,"2,4-Dinitrophenol sodium salt"
[O-][N+](=O)C1C=C(C=CC=1OC1C=CC(=CC=1)[N+]([O-])=O)C(F)(F)F,9000.0,4.0,2.0,0.0,328.20200000000006,13.0,5.0,[O-][N+](=O)C1C=C(C=CC=1OC1C=CC(=CC=1)[N+]([O-])=O)C(F)(F)F,3.9542425094393248,Fluorodifen
[O-][N+](=O)C1C=C(C=O)C(Cl)=CC=1,3200.0,3.0,2.0,0.0,185.566,7.0,3.0,[O-][N+](=O)C1C=C(C=O)C(Cl)=CC=1,3.505149978319906,2-Chloro-5-nitrobenzaldehyde
[O-][N+](=O)C1C=C(Cl)C(=CC=1)NC(=O)C1C=C(Cl)C=CC=1O,2656.5,4.0,2.0,0.0,327.12300000000005,13.0,4.0,[O-][N+](=O)C1C=C(Cl)C(=CC=1)NC(=O)C1C=C(Cl)C=CC=1O,3.424309820245756,Niclosamide
[O-][N+](=O)C1C=C(Cl)C(Cl)=CC=1,794.0,3.0,2.0,0.0,192.001,6.0,2.0,[O-][N+](=O)C1C=C(Cl)C(Cl)=CC=1,2.8998205024270964,"3,4-Dichloronitrobenzene"
[O-][N+](=O)C1C=C(Cl)C(N=NC2C=CC(=CC=2Cl)N(CCO)CCO)=C(Br)C=1,3465.0,4.0,0.0,0.0,478.13000000000017,16.0,4.0,[O-][N+](=O)C1C=C(Cl)C(N=NC2C=CC(=CC=2Cl)N(CCO)CCO)=C(Br)C=1,3.5397032389478253,"Ethanol, 2,2'-[[4-[(2-bromo-6-chloro-4-nitrophenyl)azo]-3-chlorophenyl]imino]bis-"
[O-][N+](=O)C1C=C(Cl)C2N=C(NC=2C=1)C(F)(F)F,9.865,4.0,3.0,0.0,265.578,8.0,2.0,[O-][N+](=O)C1C=C(Cl)C2N=C(NC=2C=1)C(F)(F)F,0.99409708958821,"Benzimidazole, 4-chloro-6-nitro-2-(trifluoromethyl)-"
[O-][N+](=O)C1C=C(Cl)C=C(C(O)=O)C=1Cl,2640.0,3.0,2.0,0.0,236.01,7.0,4.0,[O-][N+](=O)C1C=C(Cl)C=C(C(O)=O)C=1Cl,3.4216039268698313,"Sodium 2,5-dichloro-3-nitrobenzoate"
[O-][N+](=O)C1C=C(Cl)C=C(Cl)C=1,390.0,3.0,2.0,0.0,192.001,6.0,2.0,[O-][N+](=O)C1C=C(Cl)C=C(Cl)C=1,2.591064607026499,"Benzene, 1,3-dichloro-5-nitro-"
[O-][N+](=O)C1C=C(Cl)C=CC=1,432.0,1.0,2.0,0.0,157.55599999999998,6.0,2.0,[O-][N+](=O)C1C=C(Cl)C=CC=1,2.635483746814912,1-Chloro-3-nitrobenzene
[O-][N+](=O)C1C=C(Cl)C=CC=1Cl,1105.0,3.0,2.0,0.0,192.001,6.0,2.0,[O-][N+](=O)C1C=C(Cl)C=CC=1Cl,3.0433622780211294,"1,4-Dichloro-2-nitrobenzene"
[O-][N+](=O)C1C=C(Cl)C=CC=1N=NC1=C2C=CC=CC2=CC(C(=O)NC2=CC(Cl)=C(C=C2)NC(=O)C2C=C3C=CC=CC3=C(N=NC3C=CC(Cl)=CC=3[N+]([O-])=O)C=2O)=C1O,10000.0,0.0,0.0,4.0,850.031,40.0,8.0,[O-][N+](=O)C1C=C(Cl)C=CC=1N=NC1=C2C=CC=CC2=CC(C(=O)NC2=CC(Cl)=C(C=C2)NC(=O)C2C=C3C=CC=CC3=C(N=NC3C=CC(Cl)=CC=3[N+]([O-])=O)C=2O)=C1O,4.0,"2-Naphthalenecarboxamide, N,N'-(2-chloro-1,4-phenylene)bis[4-[(4-chloro-2-nitrophenyl)azo]-3-hydroxy-"
[O-][N+](=O)C1C=C(O)C=CC=1NCCCO,3500.0,4.0,2.0,0.0,212.20499999999996,9.0,4.0,[O-][N+](=O)C1C=C(O)C=CC=1NCCCO,3.5440680443502757,4-Hydroxypropylamino-3-nitrophenol
[O-][N+](=O)C1C=C2C(=CC=1)C(N=NC1=CC=C3C=CC=CC3=C1O)=C(O)C=C2S(O)(=O)=O,10001.0,4.0,1.0,0.0,439.40500000000014,20.0,7.0,[O-][N+](=O)C1C=C2C(=CC=1)C(N=NC1=CC=C3C=CC=CC3=C1O)=C(O)C=C2S(O)(=O)=O,4.000043427276863,"C.I. Mordant Black 11, monosodium salt"
[O-][N+](=O)C1C=C2C(=NCC(=O)NC2=CC=1)C1C=CC=CC=1,825.0,4.0,3.0,0.0,281.27099999999996,15.0,3.0,[O-][N+](=O)C1C=C2C(=NCC(=O)NC2=CC=1)C1C=CC=CC=1,2.916453948549925,Nitrazepam
[O-][N+](=O)C1C=C2C=CC=CC2=CC=1,4400.0,4.0,2.0,0.0,173.171,10.0,2.0,[O-][N+](=O)C1C=C2C=CC=CC2=CC=1,3.6434526764861874,2-Nitronaphthalene
[O-][N+](=O)C1C=C2COP(=S)(OC2=CC=1)N1CCCCC1,250.0,4.0,3.0,0.0,314.3030000000001,12.0,4.0,[O-][N+](=O)C1C=C2COP(=S)(OC2=CC=1)N1CCCCC1,2.3979400086720375,
[O-][N+](=O)C1C=C2NC(=O)NC2=CC=1,6251.0,3.0,2.0,0.0,179.135,7.0,3.0,[O-][N+](=O)C1C=C2NC(=O)NC2=CC=1,3.7959494989028033,"2H-Benzimidazol-2-one, 1,3-dihydro-5-nitro-"
[O-][N+](=O)C1C=CC(=CC=1)C(=O)Cl,5600.0,3.0,2.0,0.0,185.566,7.0,3.0,[O-][N+](=O)C1C=CC(=CC=1)C(=O)Cl,3.7481880270062002,4-Nitrobenzoyl chloride
[O-][N+](=O)C1C=CC(=CC=1)C(=O)NCC(O)CCl,120.0,4.0,3.0,0.0,258.661,10.0,4.0,[O-][N+](=O)C1C=CC(=CC=1)C(=O)NCC(O)CCl,2.0791812460476247,
[O-][N+](=O)C1C=CC(=CC=1)C(O)=O,1960.0,3.0,2.0,0.0,167.12,7.0,4.0,[O-][N+](=O)C1C=CC(=CC=1)C(O)=O,3.292256071356476,"Benzoic acid, 4-nitro-, ammonium salt"
[O-][N+](=O)C1C=CC(=CC=1)C(O)C(CO)NC(=O)C(Cl)Cl,3175.0,4.0,2.0,0.0,323.13199999999995,11.0,5.0,[O-][N+](=O)C1C=CC(=CC=1)C(O)C(CO)NC(=O)C(Cl)Cl,3.5017437296279943,Chloramphenicol
[O-][N+](=O)C1C=CC(=CC=1)C(O)C(COC(=O)CCC(O)=O)NC(=O)C(Cl)Cl,8300.0,4.0,1.0,0.0,423.20500000000015,15.0,8.0,[O-][N+](=O)C1C=CC(=CC=1)C(O)C(COC(=O)CCC(O)=O)NC(=O)C(Cl)Cl,3.9190780923760737,Chloramphenicol succinate
[O-][N+](=O)C1C=CC(=CC=1)C1=CC=C(C=NN2CC(=O)NC2=O)O1,7432.0,4.0,3.0,0.0,314.257,14.0,5.0,[O-][N+](=O)C1C=CC(=CC=1)C1=CC=C(C=NN2CC(=O)NC2=O)O1,3.871105700985585,Dantrolene
[O-][N+](=O)C1C=CC(=CC=1)C1C=CC=CC=1,2230.0,4.0,2.0,0.0,199.209,12.0,2.0,[O-][N+](=O)C1C=CC(=CC=1)C1C=CC=CC=1,3.3483048630481607,4-Nitrobiphenyl
[O-][N+](=O)C1C=CC(=CC=1)C=O,4700.0,1.0,2.0,0.0,151.121,7.0,3.0,[O-][N+](=O)C1C=CC(=CC=1)C=O,3.6720978579357175,4-Nitrobenzaldehyde
[O-][N+](=O)C1C=CC(=CC=1)N=C=O,1600.0,3.0,2.0,0.0,164.11999999999998,7.0,3.0,[O-][N+](=O)C1C=CC(=CC=1)N=C=O,3.2041199826559246,1-Isocyanato-4-nitro-benzene
[O-][N+](=O)C1C=CC(=CC=1)NC(=O)NCC1C=NC=CC=1,6.0,4.0,3.0,0.0,272.264,13.0,3.0,[O-][N+](=O)C1C=CC(=CC=1)NC(=O)NCC1C=NC=CC=1,0.7781512503836436,Pyrinuron
[O-][N+](=O)C1C=CC(=CC=1)NC1C=CC=CC=1,7940.0,4.0,2.0,0.0,214.224,12.0,2.0,[O-][N+](=O)C1C=CC(=CC=1)NC1C=CC=CC=1,3.8998205024270964,4-Nitro-N-phenylaniline
[O-][N+](=O)C1C=CC(=CC=1)NC1CC(=O)N(N=1)C1C(Cl)=CC(Cl)=CC=1Cl,3200.0,4.0,1.0,0.0,399.6210000000001,15.0,3.0,[O-][N+](=O)C1C=CC(=CC=1)NC1CC(=O)N(N=1)C1C(Cl)=CC(Cl)=CC=1Cl,3.505149978319906,"3H-Pyrazol-3-one, 2,4-dihydro-5-[(4-nitrophenyl)amino]-2-(2,4,6-trichlorophenyl)-"
[O-][N+](=O)C1C=CC(=CC=1)OC(=O)OCC1=CN=CS1,2751.0,4.0,3.0,0.0,280.26099999999997,11.0,5.0,[O-][N+](=O)C1C=CC(=CC=1)OC(=O)OCC1=CN=CS1,3.4394905903896835,5-Hydroxymethylthiazole 4-nitrophenylcarbonate hydrochloride
[O-][N+](=O)C1C=CC(=CC=1)OC1=C(F)C=C(Cl)C=C1Cl,2890.0,4.0,2.0,0.0,302.08799999999997,12.0,3.0,[O-][N+](=O)C1C=CC(=CC=1)OC1=C(F)C=C(Cl)C=C1Cl,3.4608978427565478,Fluoronitrofen
[O-][N+](=O)C1C=CC(=CC=1)OC1C(Cl)=CC(Cl)=CC=1Cl,10001.0,4.0,2.0,1.0,318.543,12.0,3.0,[O-][N+](=O)C1C=CC(=CC=1)OC1C(Cl)=CC(Cl)=CC=1Cl,4.000043427276863,Chlornitrofen
[O-][N+](=O)C1C=CC(=CC=1)OC1C=CC(=CC=1Cl)C(F)(F)F,1000.0,4.0,2.0,1.0,317.65,13.0,3.0,[O-][N+](=O)C1C=CC(=CC=1)OC1C=CC(=CC=1Cl)C(F)(F)F,3.0,Nitrofluorofen
[O-][N+](=O)C1C=CC(=CC=1)OC1C=CC(CN(CCO)C(=O)C(Cl)Cl)=CC=1,7500.0,4.0,0.0,0.0,399.2300000000001,17.0,5.0,[O-][N+](=O)C1C=CC(=CC=1)OC1C=CC(CN(CCO)C(=O)C(Cl)Cl)=CC=1,3.8750612633917,Clefamide
[O-][N+](=O)C1C=CC(=CC=1)OC1C=CC(Cl)=CC=1Cl,2527.0,4.0,2.0,0.0,284.098,12.0,3.0,[O-][N+](=O)C1C=CC(=CC=1)OC1C=CC(Cl)=CC=1Cl,3.4026052419199146,Nitrofen
[O-][N+](=O)C1C=CC(=CC=1)OCC1CO1,7500.0,4.0,2.0,0.0,195.174,9.0,4.0,[O-][N+](=O)C1C=CC(=CC=1)OCC1CO1,3.8750612633917,CERAPP_31706
[O-][N+](=O)C1C=CC(=CC=1)OP(=S)(OC1C=CC(=CC=1)[N+]([O-])=O)OC1C=CC(=CC=1)[N+]([O-])=O,3500.0,4.0,0.0,1.0,477.3470000000002,18.0,9.0,[O-][N+](=O)C1C=CC(=CC=1)OP(=S)(OC1C=CC(=CC=1)[N+]([O-])=O)OC1C=CC(=CC=1)[N+]([O-])=O,3.5440680443502757,"O,O,O-Tris(4-nitrophenyl) thiophosphate"
[O-][N+](=O)C1C=CC(=CC=1)OP(O)(O)=O,1150.0,4.0,2.0,0.0,219.089,6.0,6.0,[O-][N+](=O)C1C=CC(=CC=1)OP(O)(O)=O,3.060697840353612,CERAPP_27212
[O-][N+](=O)C1C=CC(=CC=1)SC1C=CC(=CC=1)[N+]([O-])=O,1490.0,4.0,2.0,0.0,276.27299999999997,12.0,4.0,[O-][N+](=O)C1C=CC(=CC=1)SC1C=CC(=CC=1)[N+]([O-])=O,3.173186268412274,"Benzene, 1,1'-thiobis[4-nitro-"
[O-][N+](=O)C1C=CC(=CC=1C(O)=O)OC1=CC=C(C=C1Cl)C(F)(F)F,1370.0,4.0,1.0,0.0,361.6590000000001,14.0,5.0,[O-][N+](=O)C1C=CC(=CC=1C(O)=O)OC1=CC=C(C=C1Cl)C(F)(F)F,3.1367205671564067,Acifluorfen
[O-][N+](=O)C1C=CC(CC(O)=O)=CC=1,3500.0,4.0,2.0,0.0,181.147,8.0,4.0,[O-][N+](=O)C1C=CC(CC(O)=O)=CC=1,3.5440680443502757,4-Nitrophenylacetic acid
[O-][N+](=O)C1C=CC(CCC2C=CC(=CC=2)[N+]([O-])=O)=CC=1,6251.0,4.0,3.0,0.0,272.26,14.0,4.0,[O-][N+](=O)C1C=CC(CCC2C=CC(=CC=2)[N+]([O-])=O)=CC=1,3.7959494989028033,"Benzene, 1,1'-(1,2-ethanediyl)bis[4-nitro-"
[O-][N+](=O)C1C=CC(CCl)=CC=1,1809.0,3.0,2.0,0.0,171.583,7.0,2.0,[O-][N+](=O)C1C=CC(CCl)=CC=1,3.257438566859814,4-Nitrobenzyl chloride
[O-][N+](=O)C1C=CC(Cl)=CC=1,524.0,1.0,2.0,0.0,157.55599999999998,6.0,2.0,[O-][N+](=O)C1C=CC(Cl)=CC=1,2.7193312869837265,1-Chloro-4-nitrobenzene
[O-][N+](=O)C1C=CC(Cl)=CC=1C(F)(F)F,554.0,3.0,2.0,0.0,225.5529999999999,7.0,2.0,[O-][N+](=O)C1C=CC(Cl)=CC=1C(F)(F)F,2.74350976472843,"5-Chloro-alpha,alpha,alpha-trifluoro-2-nitrotoluene"
[O-][N+](=O)C1C=CC(Cl)=CC=1O,1050.0,2.0,2.0,0.0,173.55499999999998,6.0,3.0,[O-][N+](=O)C1C=CC(Cl)=CC=1O,3.0211892990699383,"Phenol, 5-chloro-2-nitro-"
[O-][N+](=O)C1C=CC(O)=C(C=1)C=O,799.0,3.0,2.0,0.0,167.12,7.0,4.0,[O-][N+](=O)C1C=CC(O)=C(C=1)C=O,2.902546779313991,"Benzaldehyde, 2-hydroxy-5-nitro-"
[O-][N+](=O)C1C=CC(O)=C(Cl)C=1,900.0,2.0,2.0,0.0,173.55499999999998,6.0,3.0,[O-][N+](=O)C1C=CC(O)=C(Cl)C=1,2.9542425094393248,"Phenol, 2-chloro-4-nitro-"
[O-][N+](=O)C1C=CC(O)=C2C=1C(=O)C1C(C2=O)=C(O)C=CC=1NC1C=CC=CC=1,9375.0,4.0,1.0,0.0,376.3240000000001,20.0,6.0,[O-][N+](=O)C1C=CC(O)=C2C=1C(=O)C1C(C2=O)=C(O)C=CC=1NC1C=CC=CC=1,3.9719712763997563,"1-Anilino-4,5-dihydroxy-8-nitroanthraquinone"
[O-][N+](=O)C1C=CC(O)=CC=1,255.5,1.0,2.0,0.0,139.11,6.0,3.0,[O-][N+](=O)C1C=CC(O)=CC=1,2.4073909044707316,Sodium 4-nitrophenolate
[O-][N+](=O)C1C=CC(O)=CC=1C(F)(F)F,151.0,2.0,2.0,0.0,207.1069999999999,7.0,3.0,[O-][N+](=O)C1C=CC(O)=CC=1C(F)(F)F,2.1789769472931693,3-Trifluoromethyl-4-nitrophenol
[O-][N+](=O)C1C=CC=C(O)C=1,744.0,1.0,2.0,0.0,139.11,6.0,3.0,[O-][N+](=O)C1C=CC=C(O)C=1,2.8715729355458786,3-Nitrophenol
[O-][N+](=O)C1C=CC=C2C=CC=CC2=1,150.0,4.0,2.0,0.0,173.171,10.0,2.0,[O-][N+](=O)C1C=CC=C2C=CC=CC2=1,2.1760912590556813,1-Nitronaphthalene
[O-][N+](=O)C1C=CC=CC=1,474.0,1.0,2.0,0.0,123.11099999999996,6.0,2.0,[O-][N+](=O)C1C=CC=CC=1,2.6757783416740852,Nitrobenzene
[O-][N+](=O)C1C=CC=CC=1Cl,259.0,1.0,2.0,0.0,157.55599999999998,6.0,2.0,[O-][N+](=O)C1C=CC=CC=1Cl,2.413299764081252,1-Chloro-2-nitrobenzene
[O-][N+](=O)C1C=CC=CC=1NCCO,1406.0,4.0,2.0,0.0,182.17899999999997,8.0,3.0,[O-][N+](=O)C1C=CC=CC=1NCCO,3.147985320683805,"Ethanol, 2-[(2-nitrophenyl)amino]-"
[O-][N+](=O)C1C=CC=CC=1O,334.0,1.0,2.0,0.0,139.11,6.0,3.0,[O-][N+](=O)C1C=CC=CC=1O,2.5237464668115646,2-Nitrophenol
[O-][N+](=O)C1C=NC(Cl)=C(C=1)[N+]([O-])=O,50.0,3.0,2.0,0.0,203.541,5.0,4.0,[O-][N+](=O)C1C=NC(Cl)=C(C=1)[N+]([O-])=O,1.6989700043360187,"Pyridine, 2-chloro-3,5-dinitro-"
[O-][N+](=O)C1NNC(=O)N=1,6251.0,0.0,2.0,0.0,130.063,2.0,3.0,[O-][N+](=O)C1NNC(=O)N=1,3.7959494989028033,"3H-1,2,4-Triazol-3-one, 1,2-dihydro-5-nitro-"
[O-][N+](=O)N1CN(CN(C1)[N+]([O-])=O)[N+]([O-])=O,165.0,3.0,2.0,0.0,222.117,3.0,6.0,[O-][N+](=O)N1CN(CN(C1)[N+]([O-])=O)[N+]([O-])=O,2.2174839442139063,Cyclonite
[O-][N+](=O)N1CN(CN(CN(C1)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O,6091.0,3.0,3.0,0.0,296.15600000000006,4.0,8.0,[O-][N+](=O)N1CN(CN(CN(C1)[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O,3.7846885995014214,Cyclotetramethylenetetranitramine
[O-][N+](=O)OC(CO[N+]([O-])=O)CO[N+]([O-])=O,464.0,2.0,1.0,0.0,227.085,3.0,9.0,[O-][N+](=O)OC(CO[N+]([O-])=O)CO[N+]([O-])=O,2.6665179805548807,Trinitroglycerin
[O-][N+](=O)OC1C(O[N+]([O-])=O)C(O)OC(CO[N+]([O-])=O)C1O,7500.0,3.0,2.0,2.0,315.14700000000005,6.0,12.0,[O-][N+](=O)OC1C(O[N+]([O-])=O)C(O)OC(CO[N+]([O-])=O)C1O,3.8750612633917,Nitrocellulose
[O-][N+](=O)OC1COC2C(O)COC12,2010.0,2.0,2.0,0.0,191.139,6.0,6.0,[O-][N+](=O)OC1COC2C(O)COC12,3.303196057420489,Isosorbide 5-mononitrate
[O-][N+](=O)OC1COC2C1OCC2O[N+]([O-])=O,747.0,3.0,2.0,0.0,236.13599999999997,6.0,8.0,[O-][N+](=O)OC1COC2C1OCC2O[N+]([O-])=O,2.873320601815399,Isosorbide dinitrate
[O-][N+](=O)OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O,1660.0,3.0,2.0,2.0,316.135,5.0,12.0,[O-][N+](=O)OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O,3.220108088040055,Pentaerythritol tetranitrate
[O-][N+](=O)OCC(O)CO[N+]([O-])=O,1065.0,1.0,2.0,0.0,182.088,3.0,7.0,[O-][N+](=O)OCC(O)CO[N+]([O-])=O,3.0273496077747564,
[O-][N+](=O)OCCNC(=O)C1=CN=CC=C1,1220.0,4.0,2.0,0.0,211.177,8.0,4.0,[O-][N+](=O)OCCNC(=O)C1=CN=CC=C1,3.0863598306747484,Nicorandil
[O-][N+](=O)OCCOCCOCCO[N+]([O-])=O,1000.0,3.0,1.0,0.0,240.16799999999995,6.0,8.0,[O-][N+](=O)OCCOCCOCCO[N+]([O-])=O,3.0,Triethylene glycol dinitrate
[O-][N+](=O)OCCOCCO[N+]([O-])=O,867.0,2.0,1.0,0.0,196.115,4.0,7.0,[O-][N+](=O)OCCOCCO[N+]([O-])=O,2.9380190974762104,Diethylene glycol dinitrate
[O-][N+](=O)OCCO[N+]([O-])=O,519.0,0.0,2.0,0.0,152.062,2.0,6.0,[O-][N+](=O)OCCO[N+]([O-])=O,2.7151673578484576,Ethylene glycol dinitrate
[O-][N+]1C=CC(=CC=1)[N+]([O-])=O,107.0,1.0,2.0,0.0,140.09799999999998,5.0,3.0,[O-][N+]1C=CC(=CC=1)[N+]([O-])=O,2.0293837776852097,4-Nitropyridine-1-oxide
[O-][N+]1C=CC=CC=1S,1244.0,1.0,2.0,0.0,127.168,5.0,1.0,[O-][N+]1C=CC=CC=1S,3.0948203803548,2-Mercaptopyridine monoxide
[O-][N+]1C=C[N+]([O-])=C2C=CC=CC=12,500.0,3.0,2.0,0.0,162.148,8.0,2.0,[O-][N+]1C=C[N+]([O-])=C2C=CC=CC=12,2.6989700043360187,Quindoxin
[O-][N+]1CC(=O)NC2C=CC(Cl)=CC=2C=1C1C=CC=CC=1,4000.0,4.0,3.0,0.0,286.718,15.0,2.0,[O-][N+]1CC(=O)NC2C=CC(Cl)=CC=2C=1C1C=CC=CC=1,3.6020599913279625,Demoxepam
[O-][N+]1ON=C2C=1C1=NO[N+]([O-])=C1C1=NO[N+]([O-])=C12,2884.0,2.0,3.0,0.0,252.102,6.0,6.0,[O-][N+]1ON=C2C=1C1=NO[N+]([O-])=C1C1=NO[N+]([O-])=C12,3.4599952560473914,"Benzo[1,2-c:3,4-c':5,6-c'']tris[1,2,5]oxadiazole, 1,4,7-trioxide"
[SiH3]CCCCC(Cl)(Cl)Cl,2340.0,4.0,2.0,0.0,205.588,5.0,0.0,[SiH3]CCCCC(Cl)(Cl)Cl,3.369215857410143,CERAPP_51724