diff --git "a/MUV_652/data_clean.csv" "b/MUV_652/data_clean.csv"
new file mode 100644--- /dev/null
+++ "b/MUV_652/data_clean.csv"
@@ -0,0 +1,14903 @@
+SMILES,MUV-652
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+O=C(NC(Cc1ccccc1)C(=O)N1CCC2(CC1)OCCO2)C1CCCCC1,0
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+CCOC(=O)c1ccccc1NC(=O)CSc1nccn1C,0
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+CN(C)c1ccc(C(=O)N2CC(=O)N(CCc3ccccc3)C(=O)C2)cc1,0
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+c1csc(-c2csc3nc(CN4CCOCC4)nc(NCc4ccc5c(c4)OCO5)c23)c1,0
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+COc1cccc2sc(Nc3nc(-c4ccccn4)cs3)nc12,0
+COc1ccc(NC(=O)Cn2nnc(C(=O)NCc3ccccc3)c2N)cc1Cl,0
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+CN(C(=O)c1ccno1)c1nnc(-c2cnccn2)s1,0
+Cc1c(NS(=O)(=O)N2CCCC2)c(=O)n(-c2ccccc2)n1C,0
+CSc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1,0
+O=S(=O)(Nc1ccc(Cc2ccncc2)cc1)N1CCCC1,0
+Cc1conc1NC(c1cccs1)c1ccc2cccnc2c1O,0
+Cn1c(COc2ccccc2)nnc1SCC(=O)NCc1ccccc1,0
+COc1ccc(C(=O)NC2CCCCC2)cc1S(=O)(=O)N1CCCC1,0
+COc1cc(OC)cc(C(=O)NC2CCSC2=O)c1,0
+Cc1nc(NC(=O)CSc2nc3cccnc3n2C2CCCCC2)sc1C,0
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+CSC(=O)NC12CC3CC(CC(C)(C3)C1)C2,0
+O=C(CSCC(=O)OCn1nnc2ccccc2c1=O)Nc1ccc(Cl)cc1,0
+Cc1ccc(C(=O)CSc2nnc(-c3cccs3)n2C)o1,0
+O=C(Nc1cccc2nsnc12)c1ccc2c(c1)OCCO2,0
+COc1ccc2nc(NC(=O)Cc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)sc2c1,0
+COc1cccc(NC(=O)Cc2nnc(SCCOc3ccccc3)n2C)c1,0
+O=c1[nH]cnc2scc(C3COc4ccccc4O3)c12,0
+O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1)NCc1ccco1,0
+COCCCNS(=O)(=O)c1ccccc1,0
+CCC(=O)N1CCc2cc(S(=O)(=O)NC(C(=O)NCc3ccc(C)cc3)C(C)C)ccc21,0
+CCn1c(C(C)NC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21,0
+Cc1nc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2c(C)c(C)sc2n1,0
+COc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccccc3)CC2)cc1,0
+O=S(=O)(NCc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)N2CCOCC2)c1,0
+CC(=O)Nc1ccc(S(=O)(=O)N2CCC(n3cnc4cc(F)ccc43)CC2)cc1,0
+CCOC(=O)c1cnc2ccccc2c1NCCO,0
+Cc1sc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)c(C#N)c1C,0
+CN(Cc1nc(-c2ccccn2)no1)S(=O)(=O)c1ccc(Cl)cc1,0
+COc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)n2)cc1OC,0
+O=C(O)CC12CSc3[nH]c(=O)sc3C1c1ccccc1OC2=O,0
+O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)N1CCN(c2ccccc2F)CC1,0
+CCNS(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccn2)C2CCCCC2)cc1,0
+O=C(Cn1c(=O)sc2ccccc21)Nc1nc2c(s1)CCCC2,0
+CC(=O)Nc1ccc(NC(=O)CSC2=NCCS2)cc1,0
+Cc1ccc(S(=O)(=O)N2CC3(C)CN(S(=O)(=O)c4ccc(C)cc4)CC(C)(C2)C3O)cc1,0
+COc1ccc(CCN2C(=O)CC(C(N)=O)S/C2=N\c2ccccc2)cc1OC,0
+O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1,0
+CCOC(=O)CSc1nc2c(c(=O)n(Cc3ccccc3Cl)c(=O)n2C)n1C,0
+O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1)N1CCOCC1,0
+CCN(CC(=O)NCc1cccs1)S(=O)(=O)c1cccc(C(C)=O)c1,0
+O=c1c2ccccc2nc(-c2ccco2)n1-c1nccs1,0
+CCc1nnc(NC(=O)CSc2nc3c(c(=O)n2-c2ccccc2OC)SCC3)s1,0
+COc1ccccc1-n1c(SCC(=O)Nc2ccc(F)cc2)nc2c(c1=O)SCC2,0
+Cc1sc2nc(SCC(=O)NCc3ccco3)n(-c3ccccc3)c(=O)c2c1C,0
+Cc1ccccc1Nc1nc(N)nc(COC(=O)CCS(=O)(=O)c2ccccc2)n1,0
+CCCCc1nc2ccccc2c(=O)n1-c1ccc(O)cc1,0
+O=C(CCCc1ccccc1)NCc1cccnc1,0
+O=C(Nc1nc(-c2cccs2)cs1)c1cccc(S(=O)(=O)N2CCCCCC2)c1,0
+CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)NC3CCCc4ccccc43)ccc21,0
+Cc1cc(C(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)c(C)n1C,0
+COc1ccc(-n2c(N)c(C(=O)NCC3CCCO3)sc2=S)cc1,0
+O=C(Nc1ccon1)C1CCN(S(=O)(=O)c2cccs2)CC1,0
+Cc1ccc(-n2nnnc2SCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)c(C)c1,0
+CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1,0
+COc1ccc2cnn(Cc3ccccc3)c(=O)c2c1OC,0
+CCn1c(SCC(=O)Nc2cc(C)on2)nc2sc(C)c(C)c2c1=O,0
+COc1ccc(C2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1,0
+CC(C)OCC(O)CN1CCN(CC(O)COc2ccc3c(c2)OCO3)CC1,0
+O=C(NCC(=O)N(c1ccc2c(c1)OCO2)C(C(=O)NC1CCCC1)c1cccs1)c1ccco1,0
+COC(=O)C1=C(C)C(c2ccc(OC)cc2OC)NC(=O)N1,0
+CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)o2)cc1,0
+Cc1ccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)CC2CCCO2)cc1,0
+Cc1occc1-c1nnc(SCC(=O)NCc2cccs2)n1CC1CCCO1,0
+Cc1cccc(OCC(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)c1C,0
+COc1ccccc1-c1c(C)nn2c(N3CCC4(CC3)OCCO4)cc(C)nc12,0
+CCOC(=O)N1CCC(NC(=O)Cn2cc3c(n2)CCC(C)C3)CC1,0
+O=S(=O)(NCC(c1cccnc1)N1CCOCC1)c1cccs1,0