diff --git "a/data/datasets/AD/Smiles_AD_1.csv" "b/data/datasets/AD/Smiles_AD_1.csv"
new file mode 100755--- /dev/null
+++ "b/data/datasets/AD/Smiles_AD_1.csv"
@@ -0,0 +1,112120 @@
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+CC(C)C[C@H](NC(=O)COc1cccc2cccnc12)C(=O)N[C@H]3CC(=O)OC3O,andr,0
+COC[C@@H]1CCCN1S(=O)(=O)c4ccc3n(CCCCOS(=O)(=O)c2ccc(C)cc2)c(=O)c(=O)c3c4,andr,0
+CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1)C(=O)N[C@H]2CC(=O)OC2O,andr,0
+CC(C)[C@H](OC(=O)Nc1ccccc1)C(=O)NC(CC(O)=O)C(=O)COC(=O)c2c(Cl)cccc2Cl,andr,0
+O=c4n(Cc1ccccc1)c3ccc(S(=O)(=O)N2CCC2)cc3c4=O,andr,0
+CCC(C(=O)N[C@@H](CC(O)=O)C(=O)CN[C@@H](C)c1ccccc1)n3ccnc(NCc2nonc2C)c3=O,andr,0
+OC(=O)C[C@H](NC(=O)c2cncc(S(=O)(=O)NCc1ccccc1)c2)C(=O)CSCc3ccc(F)cc3,andr,0
+Cn3c(=O)c(=O)c4cc(S(=O)(=O)N1CCC[C@H]1COc2cccnc2)ccc34,andr,0
+Oc1ccc5c(c1)[nH]c6c3ccc2cc[nH]c2c3c4c(=O)[nH]c(=O)c4c56,andr,0
+O=c1[nH]c(=O)c6c1c3c2ccccc2ccc3c5[nH]c4ccccc4c56,andr,0
+NC(=O)Nc3cccc4c2[nH]nc(C1CCCCC1)c2c(=O)c34,andr,0
+Cc1[nH]c(N(=O)=O)c(C)c1c3ccnc(Nc2ccc(F)cc2)n3,andr,0
+NS(=O)(=O)c4ccc(Nc3nc(OCC1CCCCC1)c2[nH]cnc2n3)cc4,andr,0
+NS(=O)(=O)c4ccc(Nc3cc(c2cccc(NC(=O)Nc1cc(C(F)(F)F)ccc1F)c2)[nH]n3)cc4,andr,0
+Cc3cc(N)c2oc(c1ccc(O)c(O)c1)c(O)c(=O)c2c3,andr,0
+CC(C)c2c(O)ccc3cnc(Nc1ccccc1)nc23,andr,0
+COc2c(O)cc4c(=O)[nH]c3cc1ccc(O)cc1c2c34,andr,0
+O=c3ccc2cnc(Nc1ccccc1)nc2n3C4CCCC4,andr,0
+NC(=O)Nc3cccc4c2[nH]nc(c1ccco1)c2c(=O)c34,andr,0
+CCCCn2c(=O)ccc3cnc(Nc1ccccc1)nc23,andr,0
+NC(=O)Nc3cccc4c2[nH]nc(c1cccs1)c2c(=O)c34,andr,0
+CCN4CCN(CCCC(=O)Nc2n[nH]c3nc(c1ccc(O)cc1)c(Br)cc23)CC4,andr,0
+Nc3nc(Nc1ccc(S(N)(=O)=O)cc1)nc(OCC2CCCCC2)c3N=O,andr,0
+Cn4ccc(c2[nH]nc3c1cccc(NC(N)=O)c1c(=O)c23)c4,andr,0
+C4CCC(COc2nc(Nc1ccccc1)nc3[nH]cnc23)CC4,andr,0
+Oc1cccc3c1cc4[nH]c(=O)c5cc2OCOc2c3c45,andr,0
+NC(=O)Nc3cccc4c2[nH]nc(c1ccsc1)c2c(=O)c34,andr,0
+CC(C)(C)c3cnc(CSc2cnc(NC(=O)OCc1ccccc1)s2)o3,andr,0
+O=C(Cc1cccc2ccccc12)Nc4cc(C3CC3)[nH]n4,andr,0
+CC(=O)Nc3cccc4c2[nH]nc(c1cccnc1)c2c(=O)c34,andr,0
+C[C@H](Nc2nc(Nc1cc(C)[nH]n1)cnc2C#N)c3ccc(F)cn3,andr,0
+CC(=O)Nc3cccc4c2[nH]nc(c1ccncc1)c2c(=O)c34,andr,0
+CC(C)c2n[nH]c3c1cccc(NC(N)=O)c1c(=O)c23,andr,0
+COc3ccc2cnc(Nc1ccccc1)nc2c3C4CCCC4,andr,0
+C[C@H](Nc2nc(Nc1cc(C)[nH]n1)cnc2C#N)c3ncc(F)cn3,andr,0
+Oc3ccc(Nc2c(c1ccccc1N(=O)=O)c(=O)[nH]c2=O)cc3Cl,andr,0
+COc3ccc2[nH]c(=O)\c(=C/c1cnc[nH]1)c2c3,andr,0
+Fc3cc(CC(=O)Nc2cc(C1CC1)[nH]n2)ccc3c4ccccc4,andr,0
+Cc3n[nH]c4ccc(c2cncc(OC[C@@H](N)Cc1ccccc1)c2)cc34,andr,0
+NC(=O)Nc3cccc4c2[nH]nc(C1CC1)c2c(=O)c34,andr,0
+Cc4ccc(c2[nH]nc3c1cccc(NC(N)=O)c1c(=O)c23)s4,andr,0
+O=C(Cc1c[nH]c2ccccc12)Nc4ncc(C3CCC3)s4,andr,0
+OC4CCC(c1n[nH]cc1c3ccnc(NC2CCCC2)n3)CC4,andr,0
+CCCCOc2c(S(=O)(=O)c1ccccc1)c[nH]c3nncc23,andr,0
+CC(=O)Nc1c[nH]nc1c3nc2ccccc2[nH]3,andr,0
+COc1ccncc1c\2n[nH]c(=O)c/2=N\Nc3ccccc3,andr,0
+CCCCc2c(c1ccc(O)cc1)[nH]c3nccnc23,andr,0
+O=C2NCCc3[nH]c(c1ccncc1)cc23,andr,0
+O=C(Nc1ccccn1)Nc3cccc4C(=O)N2CCC[C@@H]2c34,andr,0
+O=C(Cc2ccc1ccccc1c2)Nc4cc(C3CC3)[nH]n4,andr,0
+CNS(=O)(=O)c4ccc3[nH]c(=O)\c(=C/c1[nH]cc2C(=O)OCCc12)c3c4,andr,0
+COc3cccc(CC(=O)Nc2cc(C1CC1)[nH]n2)c3,andr,0
+O=C(c1ccccc1)c3c[nH]c2nncc2c3OC4CCCCC4,andr,0
+O=C(Cc2ccc(OCCN1CCCC1)cc2)Nc4cc(C3CC3)[nH]n4,andr,0
+Cc2nnc3sc(c1ccc(N)cc1)nn23,andr,0
+C1CC1Nc4nccc(c2cnn3ncccc23)n4,andr,0
+Cc1ccc(cc1)C(=O)c2cc(c(c(c2)O)O)N(=O)=O,andr,0
+c1ccc(cc1)CCCCC(=O)c2ccc(c(c2N(=O)=O)O)O,andr,0
+c1ccc(cc1)CC(=O)c2ccc(c(c2N(=O)=O)O)O,andr,0
+c1ccc(cc1)CCCC(=O)c2ccc(c(c2N(=O)=O)O)O,andr,0
+c1ccc(cc1)C(=O)/C=C/c2cc(c(c(c2)O)O)N(=O)=O,andr,0
+c1cc(c(cc1C(=O)NCCCNC(=O)c2ccc(c(c2)O)O)O)O,andr,0
+CC(C)OC(=O)c1c(c2cc(c(c(c2s1)N(=O)=O)O)O)Cl,andr,0
+CC(C)C(=O)OCOC(=O)c1c(c2cc(c(c(c2s1)N(=O)=O)O)O)Cl,andr,0
+c1ccc(cc1)CC(=O)c2cc(c(c(c2)O)O)N(=O)=O,andr,0
+c1c2c(c(c(c1O)O)N(=O)=O)sc(c2Cl)C(=O)OCc3coc(=O)o3,andr,0
+CCCCOC(=O)c1c(c2cc(c(c(c2s1)N(=O)=O)O)O)Cl,andr,0
+CC(C)C(C(=O)OCOC(=O)c1c(c2cc(c(c(c2s1)N(=O)=O)O)O)Cl)N,andr,0
+CC(=O)C(=Cc1cc(c(c(c1)O)O)N(=O)=O)C(=O)C,andr,0
+CCCC(=O)OCOC(=O)c1c(c2cc(c(c(c2s1)N(=O)=O)O)O)Cl,andr,0
+c1c2c(c(c(c1O)O)N(=O)=O)sc(c2Cl)C(=O)O,andr,0
+CCCOC(=O)c1c(c2cc(c(c(c2s1)N(=O)=O)O)O)Cl,andr,0
+CN(C)C(=O)/C(=C/c1cc(c(c(c1)O)O)N(=O)=O)/C#N,andr,0
+COC(=O)c1c(c2cc(c(c(c2s1)N(=O)=O)O)O)Cl,andr,0
+C/C(=C\c1cc(c(c(c1)O)O)N(=O)=O)/C(=O)C,andr,0
+CCN(CC)C(=O)/C(=C/c1cc(c(c(c1)O)O)N(=O)=O)/C#N,andr,0
+c1c(cc(c(c1O)O)Cl)C(=O)NC23CC4CC(C2)CC(C4)C3,andr,0
+c1c(cc(c(c1N(=O)=O)O)O)C(=O)NC23CC4CC(C2)CC(C4)C3,andr,0
+c1c(cc(c(c1N(=O)=O)O)O)CCCCC(=O)O,andr,0
+CCOC(=O)/C(=C/c1cc(c(c(c1)O)O)N(=O)=O)/C#N,andr,0
+CC(C)C(=O)OC(C)OC(=O)c1c(c2cc(c(c(c2s1)N(=O)=O)O)O)Cl,andr,0
+c1c(cc(c(c1N(=O)=O)O)O)C=C(C#N)C#N,andr,0
+CCCNC(=O)c1cc(c(c(c1)O)O)O,andr,0
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+CC(=O)c1cc(c(c(c1)O)O)N(=O)=O,andr,0
+COc1cc(cc(c1OC)OC)C(=O)/C=C/c2cc(c(c(c2)O)O)N(=O)=O,andr,0
+c1c(cc(c(c1N(=O)=O)O)O)N(=O)=O,andr,0
+CCCC(=O)OC(C)OC(=O)c1c(c2cc(c(c(c2s1)N(=O)=O)O)O)Cl,andr,0
+c1ccc(cc1)COC(=O)c2c(c3cc(c(c(c3s2)N(=O)=O)O)O)Cl,andr,0
+c1c(cc(c(c1N(=O)=O)O)O)Cl,andr,0
+c1c(cc(c(c1N(=O)=O)O)O)CO,andr,0
+c1c(cc(c(c1N(=O)=O)O)O)C=O,andr,0
+c1c(cc(c(c1C#N)O)O)C(=O)NC23CC4CC(C2)CC(C4)C3,andr,0
+c1c(cc(c(c1C#N)O)O)C=O,andr,0
+c1c(cc(c(c1N(=O)=O)O)O)C#N,andr,0
+c1c(cc(c(c1C=O)O)O)C=O,andr,0
+Oc1cc(N(=O)=O)cc3c1NC(Nc2ccccc2Cl)=NS3(=O)=O,andr,0
+OC(=O)c1ccccc1NC(=O)CCc2noc4c2ccc3cc(O)ccc34,andr,0
+Oc3ccc(c2cc(c1cccc(O)c1)cs2)cc3,andr,0
+C[C@H](Oc3cccc(Cc1c(C)[nH]c2ccc(OC(F)(F)F)cc12)c3)C(O)=O,andr,0
+CC[C@@](C)(Cc2ccc(OCCCOc1ccc(CC(F)(F)F)cc1Cl)cc2)C(O)=O,andr,0
+OC(=O)c1ccccc1NC(=O)CCc4ccc3c(ccc2[nH]ncc23)c4,andr,0
+CCc2oc1ccccc1c2C(=O)c3cc(C)c(O)c(C)c3,andr,0
+C[C@H]1C[C@@H]1Cn3c(C)c(C)c4cnnc(OCc2ccc(F)cc2)c34,andr,0
+OC(=O)c1ccccc1NC(=O)CCc3ccc(c2ccc(O)cc2Cl)cc3,andr,0
+CN2[C@H](C(=O)NCc1cccc(C(F)(F)F)c1Cl)CCC2=O,andr,0
+Cc3ccc(S(=O)(=O)Nc1ccnn1c2ccccc2)cc3,andr,0
+Nc3ccc(S(=O)(=O)Nc1ccnn1c2ccccc2)cc3,andr,0
+NCc5ccc(F)c(C4CCN(C(=O)c3cccc(c2nc(c1cccs1)no2)c3)CC4)c5,andr,0
+FC(F)(F)c1ccccc1c3cccc(c2c[nH]cn2)c3,andr,0
+O=S(=O)(Nc3ccc2CCN(Cc1cc[nH]n1)CCc2c3)c5ccc(c4ccccn4)s5,andr,0
+C[C@H](COc4cn3ncnc(Oc2ccc1[nH]c(C)cc1c2F)c3c4C)OC(=O)CN,andr,0
+C(Oc2ccc(n1ccnc1)cc2)c3ccccn3,andr,0
+Clc3ccc(Cn2cc(c1ccncc1)cn2)c(Cl)c3,andr,0
+C(COc2ccc(n1ccnc1)cc2)Cc3ccccn3,andr,0
+Cc1n[nH]c(C)c1CC(=O)NCc2ccc(Cl)cc2Cl,andr,0
+C[C@@H](Nc2c(Nc1ccncc1)c(=O)c2=O)c3ccccc3,andr,0
+Oc2oc1ccccc1c(=O)c2Cc4c(O)oc3ccccc3c4=O,andr,0
+C(COc2ccc(n1ccnc1)cc2)Cc3cccnc3,andr,0
+C(COc2ccc(n1ccnc1)cc2)Cc3ccncc3,andr,0
+CCC(c1ccccc1)c3c(OC)oc2ccccc2c3=O,andr,0
+CCCCOc2ccc(c1ccncc1)cc2,andr,0
+COc3ccc(CCCOC(Cn1ccnc1)c2ccc(OC)cc2)cc3,andr,0
+NCc2ccc(c1ccccc1)o2,andr,0
+C[C@H](O)CC(c1ccccc1)c3c(O)oc2ccccc2c3=O,andr,0
+Nc3ncc(NC(=O)c2cc(NC(=O)c1cccc(C(F)(F)F)c1)ccc2Cl)cc3Cl,andr,0
+CCc2oc1ccccc1c2C(=O)c3cc(Br)c(O)c(Br)c3,andr,0
+NCc2ccc(c1ccccc1)s2,andr,0
+CCCCOc2ccc(c1ccns1)cc2,andr,0
+CCCCOc2ccc(n1cncc1C)cc2,andr,0
+O=C(OCc1ccccc1)N3CCC(CNc2ccncn2)CC3,andr,0
+CCCCCCc1ccc(N/C=N/O)cc1,andr,0
+O=S(=O)(Nc3ccc2CCN(Cc1cc[nH]n1)CCc2c3)c5ccc(N4CCOCC4)nc5,andr,0
+CCCCc4ccc(S(=O)(=O)Nc3ccc2CCN(Cc1cc[nH]n1)CCc2c3)cc4,andr,0
+Cc3cc(Br)cc4[nH]c(c2c(N[C@H](CO)Cc1ccccc1)cc[nH]c2=O)nc34,andr,0
+CCCCOc2ccc(n1ccnc1)cc2,andr,0
+SCc2ccc(c1cccnc1)o2,andr,0
+CCCCOc2ccc(c1cnco1)cc2,andr,0
+FC(F)(F)c2nc(Nc1cccc(Cl)c1)ncc2C(=O)NCc3ccncc3,andr,0
+Cc4ccc(OC(=O)N(CC(O)=O)Cc3cccc(OCc2nc(c1cccc(Cl)c1)oc2C)c3)cc4,andr,0
+COc4ccc(Cc2cc1cc(OC)ccc1cc2c3cccnc3)cc4,andr,0
+COCCOCCOc4ccc(S(=O)(=O)N(CC(=O)N=Nc1c(O)[nH]c2ccccc12)c3ccc(Cl)cc3)cc4,andr,0
+FC(F)(F)Oc1ccccc1CNC(=O)N3CCC(c2ccncc2)C3,andr,0
+CCCS(=O)(=O)N3CC[C@H](N(Cc1ccccc1C(F)(F)F)c2ccc(C#N)c(Cl)c2)C3,andr,0
+Cc2ccc(NC(=O)c1cccc(C(C)(C)C#N)c1)cc2C(=O)Nc3cncc(Cl)c3,andr,0
+O[C@H]4C=C2[C@@H](NC(=O)c3c(O)c1OCOc1cc23)[C@H](O)[C@@H]4O,andr,0
+CN5CCC(CCOc4cn3ncnc(Oc2ccc1[nH]c(C)cc1c2F)c3c4C)CC5,andr,0
+Fc4ccc(c3ccc2C(c1ccncc1)=CCc2c3)cc4,andr,0
+Oc3cccc(c2ccc(Cc1ccncc1)cc2)c3,andr,0
+Cc3cccc4[nH]c(c2c(NCC(O)c1cccc(Cl)c1)cc[nH]c2=O)nc34,andr,0
+Oc3cccc(c2cnc(c1cccc(O)c1)s2)c3,andr,0
+CC(C)C[C@@H](N)C(=O)O[C@H](C)COc4cn3ncnc(Oc2ccc1[nH]c(C)cc1c2F)c3c4C,andr,0
+Clc3ccc(COC(Cn1ccnc1)c2ccc(Cl)cc2Cl)c(Cl)c3,andr,0
+Cc5cccc(NC(=O)Nc4ccc(c2csc3c(c1cccnc1)cnc(N)c23)cc4)c5,andr,0
+ONC(=O)c4ccc(c3ccn(CCNCc2ccc1OCOc1c2)n3)s4,andr,0
+CCC3COC(Cn1cncn1)(c2ccc(Cl)cc2Cl)O3,andr,0
+C[C@H](N3Cc1cncn1C(CC2CC2)S3(=O)=O)c4ccc(Cl)cc4,andr,0
+Cc3cc(c2ccc(c1cccc(O)c1)s2)ccc3O,andr,0
+Oc4ccc(c3ccc2C(c1ccncc1)CCCc2c3)cc4O,andr,0
+O=S(=O)(Nc3ccc2CCN(Cc1cc[nH]n1)CCc2c3)c5ccc(c4ccccc4)cc5,andr,0
+CCCCNc2nccc3[nH]c1ccccc1c23,andr,0
+Oc4ccc(c3ccc2C(c1ccncc1)=CCCc2c3)cc4O,andr,0
+NCC3CCC(CNc2nc(NCc1ccccc1Cl)ncc2N(=O)=O)CC3,andr,0
+Nc3nccc(Oc2ccc(NC(=O)NC(=O)Cc1ccc(F)cc1)cc2F)c3C#CCO,andr,0
+Clc6ccc(S(=O)(=O)N2[C@H](C1CC1)CCC[C@@H]2C5(Cc4nc(CN3CCCC3)no4)CC5)cc6,andr,0
+Clc4cccc(Cc2cc(Cc1ccc(=O)[nH]n1)cc3ccoc23)c4,andr,0
+COC(=O)Cc4ccc(COc3ccc2cc(C(C(C)N(C)C)n1ccnc1)ccc2c3)cc4,andr,0
+Clc3ccc(C2(Cn1cncn1)CC(Br)CO2)c(Cl)c3,andr,0
+CCCCCCCC4O[C@H](CCC(\C)=C\COc2c1ccoc1cc3oc(=O)ccc23)C(C)(C)O4,andr,0
+Clc3ccc(OC(Cn1ccnc1)c2ccc(Cl)cc2Cl)c(Cl)c3,andr,0
+Clc3cncc(Oc1ncc(Cl)cc1NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c3,andr,0
+Nn1nnc2ccccc12,andr,0
+COCC(=O)O[C@]4(CCN(C)CCCc2nc1ccccc1[nH]2)CCc3cc(F)ccc3[C@@H]4C(C)C,andr,0
+CC(C)CC3n1cncc1CN(Cc2ccc(Cl)cc2)S3(=O)=O,andr,0
+CCC(c2ccc(c1ccc(O)c(Cl)c1)cc2)n3ccnc3,andr,0
+CC[C@@H]4CCC[C@H](C3(Cc2nc(CN1CCCC1)no2)CC3)N4S(=O)(=O)c5ccc(Cl)cc5,andr,0
+Clc4cccc(C(=O)c2cc(Cc1ccc(=O)[nH]n1)cc3ccoc23)c4,andr,0
+C[C@H](N3Cc1cncn1C(C[C@H](O)c2ccccc2)S3(=O)=O)c4ccc(Cl)cc4,andr,0
+CC[C@@H]3CCC[C@H](C2(Cc1nc(CN(C)C(C)(C)CO)no1)CC2)N3S(=O)(=O)c4ccc(Cl)cc4,andr,0
+Cc5n[nH]c6ncc(c3cc(OC[C@@H](N)Cc1c[nH]c2ccccc12)cnc3c4ccoc4)nc56,andr,0
+Cc5n[nH]c6ncc(c3cc(OC[C@@H](N)Cc1c[nH]c2ccccc12)cnc3c4ccoc4)cc56,andr,0
+CC(C)(C)c2ccc(SCCc1c[nH]cn1)cc2,andr,0
+Cc5n[nH]c6ccc(c3cc(OC[C@@H](N)Cc1c[nH]c2ccccc12)cnc3c4ccoc4)nc56,andr,0
+c4ccc(c2n[nH]c3c1ccccc1oc23)cc4,andr,0
+CC(C)(C)c4cc(NC(=O)Nc3ccc(NC(=O)c2cc1ccccc1cn2)cc3)no4,andr,0
+Clc4cccc(NC(=O)Nc3ncc(CCNc1ncnc2ccsc12)s3)c4,andr,0
+O=C(Nc1ccccc1n2cccccc2)c3ccc(N(=O)=O)o3,andr,0
+C[C@H](Nc1cncc(Cl)n1)c3cccc(NC(=O)c2cccc(C)c2)c3,andr,0
+FC(F)(F)c3cccc(NC(=O)c1ccccc1NCc2ccncc2)c3,andr,0
+C[C@H](Nc1cncc(Cl)n1)c3cccc(NC(=O)c2ccnc(C)c2)c3,andr,0
+C[C@H](Nc1cncc(Br)c1)c3cccc(NC(=O)c2cncc(C)c2)c3,andr,0
+CN(c1cccc(C)c1)c2[nH]cnc3nncc23,andr,0
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+CCCCNc2nc(SC)nc3n(CC(Cl)c1ccc(F)cc1)ncc23,aofb,0
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+CC(C)C[C@H](NC(=O)COc1cccc2cnccc12)C(=O)N[C@H]3CC(=O)OC3O,aofb,0
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+NS(=O)(=O)c4ccc(Nc3nccc(c1cnc2ccccn12)n3)cc4,aofb,0
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+O=C(Cc2ccc1ccccc1c2)Nc4cc(C3CC3)[nH]n4,aofb,0
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+Cc1oncc1CNC(=O)c5ccc4cc(c2n[nH]cc2c3ccccc3)[nH]c4c5,aofb,0
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+O=C(Cc1c[nH]c2ccccc12)Nc4ncc(C3CCC3)s4,aofb,0
+NC(=O)N3Cc2n[nH]c(NC(=O)Cc1ccccc1)c2C3,aofb,0
+Nc2nc(Nc1ccc(S(N)(=O)=O)cc1)nn2C(=S)Nc3c(F)cccc3F,aofb,0
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+O=C(Cc1ccccc1)Nc3ncc(C2CCCC2)s3,aofb,0
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+Cn1nccc1CNC(=O)c5ccc4cc(c2n[nH]cc2c3ccccc3)[nH]c4c5,aofb,0
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+CC(C)C(C(=O)OCOC(=O)c1c(c2cc(c(c(c2s1)N(=O)=O)O)O)Cl)N,aofb,0
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+CN(C)C(=O)/C(=C/c1cc(c(c(c1)O)O)N(=O)=O)/C#N,aofb,0
+CCCCOC(=O)c1c(c2cc(c(c(c2s1)N(=O)=O)O)O)Cl,aofb,0
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+O=C(NCc1cccc2ccccc12)c4cc(c3ccncc3)nc5ccccc45,aofb,0
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+CC[C@@](C)(Cc2ccc(OCCCOc1ccc(CC(F)(F)F)cc1Cl)cc2)C(O)=O,aofb,0
+CCOc1ccccc1c4ccc(c3nc2ccc(F)cc2c(N[C@@H](C)C(O)=O)c3C#N)cc4,aofb,0
+C[C@H](Oc3cccc(Cc1c(C)[nH]c2ccc(OC(F)(F)F)cc12)c3)C(O)=O,aofb,0
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+C[C@H](COc4cn3ncnc(Oc2ccc1[nH]c(C)cc1c2F)c3c4C)OC(=O)CN,aofb,0
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+C(NCc2ccc(c1cccnc1)s2)c4ccc(c3cccnc3)s4,aofb,0
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+C[C@@H](Oc4cc(n2cnc3cc(c1cnn(C)c1)ccc23)sc4C(N)=O)c5ccccc5Cl,aofb,0
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+O=C(Nc1ccccc1)c3cc(c2ccncc2)nc4ccccc34,aofb,0
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+Nc3n[nH]c4nccc(c2ccc(NC(=O)Nc1cccc(C(F)(F)F)c1)cc2)c34,aofb,0
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+NC(=O)c5cccc(Nc4nccc(c1[nH]c(C(F)(F)F)nc1c3cccc(NC(=O)Cc2ccc(Cl)cc2)c3)n4)c5,cah2,0
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+O/N=C4\CCc5cc(c2cn([C@@H]1CCC[C@H](O)C1)nc2c3ccncc3)ccc45,cah2,0
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+OC(=O)[C@H]1CCCN1C(=O)N2C8CCC2CC(c6ccnc7c(c3cccc4[nH]ncc34)c(c5ccncc5)nn67)C8,cah2,0
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+O/N=C4\CCc5cc(c2cn([C@H]1CCC[C@@H]1O)nc2c3ccncc3)ccc45,cah2,0
+Nc4nccc(c2[nH]c(c1ccccc1)nc2c3ccc(Cl)c(O)c3)n4,cah2,0
+O/N=C4\CCc5cc(c2nc(C1CCNCC1)[nH]c2c3ccncc3)ccc45,cah2,0
+CNc4ncc3cc(c2cc(C(=O)Nc1cccc(C(F)(F)F)c1)ccc2C)ccc3n4,cah2,0
+COC(=O)c3cnn4c(c2cccc(NC(=O)c1cccc(C(F)(F)F)c1)c2)ccnc34,cah2,0
+O/N=C4\CCc5cc(c2cc(C1CCNCC1)oc2c3ccncc3)ccc45,cah2,0
+O/N=C4\CCc5cc(c2cc(CN1CCOCC1)oc2c3ccncc3)ccc45,cah2,0
+Cn5cc(c2ccc1C(=N\O)\CCc1c2)c(c4ccc3n(C)ncc3c4)n5,cah2,0
+FC(F)(F)c5cccc(C(=O)Nc4cccc(c2ncnc3sc(c1ccncc1)cc23)c4)c5,cah2,0
+Cc3c(Cc1ccccc1)c(=O)oc4cc(OC(=O)C2CC2)ccc34,cah2,0
+CS(=O)(=O)C1C6CCC1CC(c4ccnc5c(c2ccc(Cl)c(O)c2)c(c3ccncc3)nn45)C6,cah2,0
+Cc3ccc2c(Nc1ccc(Cl)cc1)nccc2c3Nc4ncccc4c5ncnc6[nH]cnc56,cah2,0
+FC4(F)Oc3ccc(NC(=O)c1ccccc1NCc2ccncc2)cc3OC4(F)F,cah2,0
+CNc4nccc(CNc1ccccc1C(=O)Nc3ccc2OC(F)(F)Oc2c3)n4,cah2,0
+CN(c2ccc1c(C)n(C)nc1c2)c4ccnc(Nc3ccc(C)c(S(N)(=O)=O)c3)n4,cah2,0
+Oc4cc(c2nc(c1ccccc1)[nH]c2c3ccncc3)ccc4Cl,cah2,0
+CCn6cc(c1ccnc2[nH]ccc12)c(c5cccc(NC(=O)Nc4ccc(OCc3ccccc3)cc4)c5)n6,cah2,0
+CNC(=O)c4cc(CNc3c(C(=O)Nc2ccc1OC(F)(F)Oc1c2)cnn3C)ccn4,cah2,0
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+O/N=C4\CCc5cc(c2cn(C1CCNCC1)nc2c3ccncc3)ccc45,cah2,0
+O/N=C4\CCc5cc(c2cn(C1CCOCC1)nc2c3ccncc3)ccc45,cah2,0
+CNC(=O)c4cc(CNc1ccsc1C(=O)Nc3ccc2OC(F)(F)Oc2c3)ccn4,cah2,0
+Clc6ccc(CC(=O)Nc5cccc(c2nc(C1CC1)[nH]c2c4ccnc(NCCN3CCNC3=O)n4)c5)cc6,cah2,0
+Cc1ccccc1n5c(=O)c4c(C)nc3ccc(S(=O)(=O)N2CCOCC2)cc3c4c5=O,cah2,0
+O=c4[nH]c3ccc(S(=O)(=O)N1CCCC1CNc2ccccc2)cc3c4=O,cah2,0
+O=c4[nH]c3ccc(S(=O)(=O)N1CCCC1CSc2ccccc2)cc3c4=O,cah2,0
+CC(C)C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)N[C@H]3CC(=O)OC3O,cah2,0
+O=C(Nc2ccc1c(=O)c(=O)[nH]c(=O)c1c2)c3ccccc3,cah2,0
+CC(C)C[C@H](NC(=O)COc1ccc(C)cc1C34CC2CC(CC(C2)C3)C4)C(=O)N[C@H]5CC(=O)OC5O,cah2,0
+CC(C)C[C@H](NC(=O)CCOc2ccc1ccccc1c2)C(=O)N[C@H]3CC(=O)OC3O,cah2,0
+O=c4[nH]c3ccc(S(=O)(=O)N1CCC[C@H]1COc2ccncc2)cc3c4=O,cah2,0
+CCOc3cccc(NC(=O)CCC(=O)Nc2ccc1c(=O)[nH]c(=O)c(=O)c1c2)c3,cah2,0
+O=C(CCC(=O)N1CCCCC1)Nc3ccc2c(=O)[nH]c(=O)c(=O)c2c3,cah2,0
+COC[C@@H]1CCCN1S(=O)(=O)c4ccc3n(Cc2ccc(O[Si](C)(C)C(C)(C)C)cc2)c(=O)c(=O)c3c4,cah2,0
+CC(C)C[C@H](NC(=O)CC(=O)c1cccc2ccccc12)C(=O)N[C@H]3CC(=O)OC3O,cah2,0
+CC(C)C[C@H](NC(=O)Cc2ccc1ccccc1c2)C(=O)N[C@H]3CC(=O)OC3O,cah2,0
+CC(C)C[C@H](NC(=O)COc2ccc1CCCCc1c2)C(=O)N[C@H]3CC(=O)OC3O,cah2,0
+FC(F)(F)c3ccc(c2noc(c1occc1Cl)n2)cc3,cah2,0
+CC1(C)CN=c5n(C1)c4ccc(S(=O)(=O)N2CCC[C@H]2COc3ccccc3)cc4c5=O,cah2,0
+Cn3c(=O)c(=O)c4cc(S(=O)(=O)N1CCC[C@H]1COc2ccccc2)ccc34,cah2,0
+CC1(C)CN=c5n(C1)c4ccc(S(=O)(=O)N2CCC[C@H]2CNC3CCCCC3)cc4c5=O,cah2,0
+O=c4n(Cc1ccccc1)c3ccc(S(=O)(=O)N2CCC2)cc3c4=O,cah2,0
+CC(=O)N2N=C(c1cc(F)ccc1F)C[C@H]2c3cccc(O)c3,cah2,0
+CC(C)C[C@H](NC(=O)COc2ccc(c1ccccc1)cc2)C(=O)N[C@H]3CC(=O)OC3O,cah2,0
+CC(=O)OCCn5c(=O)c4c(c1ccccc1)nc3ccc(S(=O)(=O)N2CCOCC2)cc3c4c5=O,cah2,0
+CC(C)C[C@H](NC(=O)COc2ccc(Oc1ccccc1)cc2)C(=O)N[C@H]3CC(=O)OC3O,cah2,0
+CC1(C)CN=c5n(C1)c4ccc(S(=O)(=O)N2CCC[C@H]2COc3ccccn3)cc4c5=O,cah2,0
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+COC[C@@H]1CCCN1S(=O)(=O)c5ccc4n(Cc3ccc(C2CO2)cc3)c(=O)c(=O)c4c5,cah2,0
+O=c5c2=NCC1(CCCCC1)Cn2c6ccc(S(=O)(=O)N3CCC[C@H]3COc4ccccc4)cc56,cah2,0
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+CC(C)C[C@H](NC(=O)COc2cccc(c1ccccc1)c2)C(=O)N[C@H]3CC(=O)OC3O,cah2,0
+CC(C)CC(NC(=O)CNc1cccc2ccccc12)C(=O)N[C@H]3CC(=O)OC3O,cah2,0
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+C[C@@]2(N)Cc5cccc(CC[C@H](c1ccccc1)NC(=O)c4cc(COC2=O)cc(N(c3ccccc3)S(C)(=O)=O)c4)c5,csf1r,0
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+C[C@H](CCC(=O)NCc1ccc(S(N)(=O)=O)cc1)[C@H]3CC[C@H]2C5[C@H](CC(=O)[C@@]23C)[C@@]4(C)CCC(=O)C[C@H]4CC5=O,csf1r,0
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+O=C1C4CCN1c2ccccc2c6cccc(Oc5cc(Cn3cncc3CN4)ccc5C#N)c6,fnta,1
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+Clc5ccc4C(=C2CCN(C(=O)Cc1cccnc1)CC2)c3ncc(Br)cc3CCc4c5,fnta,1
+O=C2Cc1cncn1Cc5ccc(C#N)c(Oc4ccc3cccc(C(=O)NCCN2)c3c4)c5,fnta,1
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+O=C3CN(Cc1ccccc1)Cc2cncn2Cc6ccc(C#N)c(Oc5ccc4cccc(N3)c4c5)c6,fnta,1
+Cc5c[nH]c6c(Cl)cc4CCc1cc(Br)cnc1[C@H](C3CCN(C(=O)Cc2ccn(=O)cc2)CC3)c4c56,fnta,1
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+O=C1C3CCN1C5CCc6ccc(Oc4cc(Cn2cncc2CN3)ccc4C#N)cc56,fnta,1
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+O=C2Cc1cncn1Cc6ccc(C#N)c(Oc5ccc4cccc(N3CCC(N2)C3=O)c4c5)c6,fnta,1
+O=C1C3CCN1C5CCCc6ccc(Oc4cc(Cn2cncc2CN3)ccc4C#N)cc56,fnta,1
+Clc6ccc5C(=C3CCN(C(\NC#N)=N/c2ccc1OCOCc1c2)CC3)c4ncc(Br)cc4CCc5c6,fnta,1
+O=C(N1CCOCC1)c5cn(Cc2cncn2Cc4ccc3OCOc3c4)cc5c6cccc7ccccc67,fnta,1
+C[C@H]2NC(=O)Cc1cncn1Cc5ccc(C#N)c(Oc4ccc3cccc(NC2=O)c3c4)c5,fnta,1
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+Nc6nc(N4CCN3C[C@@H](CN(Cc1ccccn1)Cc2ccccn2)CC[C@H]3C4)nc7nc(c5ccco5)nn67,fnta,0
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+Nc5nc(N3CCN2[C@@H](COc1ccccc1)CCC[C@H]2C3)nc6nc(c4ccco4)nn56,fnta,0
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+Cc3ccc(NC(=O)c2ccc1ccccc1c2)cc3Nc5nccc(c4cccnc4)n5,fnta,0
+CNc5ncc4CN(c3cc(NC(=O)c2cc(n1cnc(C)c1)cc(C(F)(F)F)c2)ccc3C)C(=O)N(C)c4n5,fnta,0
+Cc5ccc(n1nc(C(C)(C)C)cc1NC(=O)Nc4ccc(C)c(Nc3nccc(c2cccnc2)n3)c4)cc5,fnta,0
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+CN1C[C@@H]2C[C@H]1CN2c7ccc(c5ccnc6c(c3cccc(O)c3)c(c4ccncc4)nn56)cc7,fnta,0
+Cc3ccc(C(=O)Nc2cc(n1ccnc1)cc(C(F)(F)F)c2)cc3\C=C\n5cnc6c(NC4CC4)ncnc56,fnta,0
+Cc4ccc(C(=O)Nc3cc(n2cnc(CN1CCCC1)c2)cc(C(F)(F)F)c3)cc4C#Cc5cnc6ccccn56,fnta,0
+Cn4c(Nc1ccc(C(F)(F)F)cc1)nc5cc(Oc3ccnc(c2ncc(C(F)(F)F)[nH]2)c3)ccc45,fnta,0
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+CC(C(=O)Nc2cc(C1CC1)[nH]n2)c4ccc(N3CC(=O)NC3=O)cc4,mk14,0
+NS(=O)(=O)c4ccc(N=Nc2c(O)[nH]c3cccc(CCc1ccc(O)cc1)c23)cc4,mk14,0
+NS(=O)(=O)c4ccc(N/N=c2\c(=O)[nH]c3cccc(Oc1ccccc1)c23)cc4,mk14,0
+CC(C(=O)Nc2cc(C1CC1)[nH]n2)c4ccc(n3ccnc3O)cc4,mk14,0
+Nc3nc2ccc(C(=O)c1c(F)cccc1F)cn2c3C(=O)c4cccs4,mk14,0
+COc5ccc(c3[nH]nc4c2cccc(NC(=O)NCc1ccccc1)c2c(=O)c34)cc5,mk14,0
+NC(=N)NS(=O)(=O)c4ccc(Nc3cn2cc(C(=O)c1c(Cl)cccc1Cl)ccc2n3)cc4,mk14,0
+Cc3cnc(Nc2cccc1CCCCc12)nc3c5c[nH]c(C(=O)N[C@H](CO)c4cccc(Cl)c4)c5,mk14,0
+C5Oc4ccc(Nc3nccc(c1cnn2ncccc12)n3)cc4O5,mk14,0
+Cc3ccc(F)c(Nc2ccnc(Nc1ccc(S(N)(=O)=O)cc1)n2)c3,mk14,0
+Cc4ccc(CC(=O)Nc2n[nH]c3ccc(N1CCCS1(=O)=O)cc23)cc4,mk14,0
+c1c(c(c(cc1/C=C\2/C(=O)/C(=C/c3cc(c(c(c3)N(=O)=O)O)O)/CC2)O)O)N(=O)=O,mk14,0
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+c1c(cc(c(c1O)O)Cl)C(=O)NC23CC4CC(C2)CC(C4)C3,mk14,0
+c1ccc(cc1)C(=O)/C=C/c2cc(c(c(c2)O)O)N(=O)=O,mk14,0
+c1c(cc(c(c1C#N)O)O)C(=O)NC23CC4CC(C2)CC(C4)C3,mk14,0
+c1ccc(cc1)CCCC(=O)c2ccc(c(c2N(=O)=O)O)O,mk14,0
+c1ccc(cc1)CCCCC(=O)c2ccc(c(c2N(=O)=O)O)O,mk14,0
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+c1ccc(cc1)CC(=O)c2ccc(c(c2N(=O)=O)O)O,mk14,0
+c1ccc(cc1)COC(=O)c2c(c3cc(c(c(c3s2)N(=O)=O)O)O)Cl,mk14,0
+c1ccc(cc1)CC(=O)c2cc(c(c(c2)O)O)N(=O)=O,mk14,0
+c1cc(c(cc1C(=O)NCCCNC(=O)c2ccc(c(c2)O)O)O)O,mk14,0
+CCCC(=O)OCOC(=O)c1c(c2cc(c(c(c2s1)N(=O)=O)O)O)Cl,mk14,0
+COc1cc(cc(c1OC)OC)C(=O)/C=C/c2cc(c(c(c2)O)O)N(=O)=O,mk14,0
+CCCC(=O)OC(C)OC(=O)c1c(c2cc(c(c(c2s1)N(=O)=O)O)O)Cl,mk14,0
+c1c2c(c(c(c1O)O)N(=O)=O)sc(c2Cl)C(=O)OCc3coc(=O)o3,mk14,0
+CC(C)OC(=O)c1c(c2cc(c(c(c2s1)N(=O)=O)O)O)Cl,mk14,0
+CC(=O)C(=Cc1cc(c(c(c1)O)O)N(=O)=O)C(=O)C,mk14,0
+CCN(CC)C(=O)/C(=C/c1cc(c(c(c1)O)O)N(=O)=O)/C#N,mk14,0
+CN(C)C(=O)/C(=C/c1cc(c(c(c1)O)O)N(=O)=O)/C#N,mk14,0
+CC(C)C(C(=O)OCOC(=O)c1c(c2cc(c(c(c2s1)N(=O)=O)O)O)Cl)N,mk14,0
+C/C(=C\c1cc(c(c(c1)O)O)N(=O)=O)/C(=O)C,mk14,0
+CCCOC(=O)c1c(c2cc(c(c(c2s1)N(=O)=O)O)O)Cl,mk14,0
+CCCCOC(=O)c1c(c2cc(c(c(c2s1)N(=O)=O)O)O)Cl,mk14,0
+c1c(cc(c(c1N(=O)=O)O)O)CCCCC(=O)O,mk14,0
+CC(C)C(=O)OCOC(=O)c1c(c2cc(c(c(c2s1)N(=O)=O)O)O)Cl,mk14,0
+CCOC(=O)/C(=C/c1cc(c(c(c1)O)O)N(=O)=O)/C#N,mk14,0
+CC(C)C(=O)OC(C)OC(=O)c1c(c2cc(c(c(c2s1)N(=O)=O)O)O)Cl,mk14,0
+COC(=O)c1c(c2cc(c(c(c2s1)N(=O)=O)O)O)Cl,mk14,0
+c1c(cc(c(c1N(=O)=O)O)O)CO,mk14,0
+c1c(cc(c(c1N(=O)=O)O)O)C=C(C#N)C#N,mk14,0
+CCCNC(=O)c1cc(c(c(c1)O)O)O,mk14,0
+CC(=O)c1cc(c(c(c1)O)O)N(=O)=O,mk14,0
+c1c2c(c(c(c1O)O)N(=O)=O)sc(c2Cl)C(=O)O,mk14,0
+c1c(cc(c(c1N(=O)=O)O)O)C(=O)O,mk14,0
+c1c(cc(c(c1C=O)O)O)C=O,mk14,0
+c1c(cc(c(c1N(=O)=O)O)O)N(=O)=O,mk14,0
+c1c(cc(c(c1N(=O)=O)O)O)Cl,mk14,0
+c1c(cc(c(c1N(=O)=O)O)O)C=O,mk14,0
+c1c(cc(c(c1N(=O)=O)O)O)C#N,mk14,0
+NCc5ccc(F)c(C4CCN(C(=O)c3cccc(c2nc(c1cccs1)no2)c3)CC4)c5,mk14,0
+CC(C)(c4cc(c2cccc(c1cccc(S(C)(=O)=O)c1)c2)c3ncccc3c4)S(C)(=O)=O,mk14,0
+Cc5cc(C)c4nc(c1ccncc1)cc(C(=O)Nc3ccc2ccccc2c3)c4c5,mk14,0
+O=C(NCc1cccc2ccccc12)c4cc(c3cccnc3)nc5ccccc45,mk14,0
+Cc4cc(n1ccnc1)cc5[nH]c(c3c(NCC(O)c2cccc(Cl)c2)cc[nH]c3=O)nc45,mk14,0
+Cc4cc(n1ccnc1)cc5[nH]c(c3c(NCc2ccccn2)cc[nH]c3=O)nc45,mk14,0
+C[C@@H](Oc4cc(n2cnc3cc(c1ccnc(NCCO)c1)ccc23)sc4C(N)=O)c5ccccc5Cl,mk14,0
+O=C(NCc1cccc2ccccc12)c4cc(c3ccncc3)nc5ccccc45,mk14,0
+FC(F)(F)c1ccccc1c3cccc(c2c[nH]cn2)c3,mk14,0
+CN(c3ccc2c(C)n(Cc1ccccc1)nc2c3)c5ccnc(Nc4cccc(S(N)(=O)=O)c4)n5,mk14,0
+OC(=O)c1ccccc1NC(=O)CCc3ccc(c2ccc(O)cc2Cl)cc3,mk14,0
+CC(C)(C)c5ccc(S(=O)(=O)N4CC(CCc1ccccc1)N(Cc2c[nH]cn2)c3ccccc3C4)cc5,mk14,0
+Oc2oc1ccccc1c(=O)c2Cc4c(O)oc3ccccc3c4=O,mk14,0
+CC(C)C[C@@H](OCc1ccccc1)[C@H](NC(=O)c3cc2ccccc2cc3NC(=O)Nc4c(C)cc(C)cc4C)C(O)=O,mk14,0
+Brc5ccc4nc(c1ccncc1)cc(C(=O)Nc3ccc2ccccc2c3)c4c5,mk14,0
+C[C@@H](Oc4cc(n2cnc3cc(c1ccnc(N)n1)ccc23)sc4C(N)=O)c5ccccc5C(F)(F)F,mk14,0
+CC(C)(c4cc(c2cccc(c1ccc(S(C)(=O)=O)cc1)c2)c3ncccc3c4)S(C)(=O)=O,mk14,0
+C[C@@H](Oc5cc(n3cnc4cc(c2cnn(CCN1CCN(C)CC1)c2)ccc34)sc5C(N)=O)c6ccccc6Cl,mk14,0
+Cc4cc(n1ccnc1)cc5[nH]c(c3c(N[C@H](CO)Cc2ccccc2)cc[nH]c3=O)nc45,mk14,0
+CC5=C(C(=O)Nc2ccc1[nH]ncc1c2)C(c3ccc(F)cc3)N=C(c4ccccc4)N5,mk14,0
+CN(c2ccc1c(C)n[nH]c1c2)c4ccnc(Nc3cccc(S(N)(=O)=O)c3)n4,mk14,0
+CCCCc4ccc(S(=O)(=O)Nc3ccc2CCN(Cc1cc[nH]n1)CCc2c3)cc4,mk14,0
+C[C@@H](Oc4cc(n2cnc3cc(c1cnn(C)c1)ccc23)sc4C(N)=O)c5ccccc5Cl,mk14,0
+Cc2oc(c1ccc(Cl)cc1)nc2CCOc5cccc(C[C@H]4[C@@H](C(O)=O)N(c3ccc(C(C)(C)C)cc3)C4=O)c5,mk14,0
+CC(C)(c4cc(c2cccc(c1cccnc1)c2)c3ncccc3c4)S(C)(=O)=O,mk14,0
+CC4CCC([C@H](NC(=O)c2cc1ccccc1cc2NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)C(O)=O)CC4,mk14,0
+Cc2ccc(NC(=O)c1cccc(C(C)(C)C#N)c1)cc2C(=O)Nc3cncc(Cl)c3,mk14,0
+CCN(CC(O)(CNC(=O)c2cnn(c1ccc(F)cc1)c2N)C(F)(F)F)C(=O)c3c(Cl)cccc3Cl,mk14,0
+Cc2oc(c1ccccc1)nc2CCOc5cccc(C[C@H]4[C@@H](C(O)=O)N(c3ccc(C(C)(C)C)cc3)C4=O)c5,mk14,0
+Cc5noc(C(=C/c3cccc(c1cc(C(C)(C)S(C)(=O)=O)cc2cccnc12)c3)/c4ccc(S(C)(=O)=O)cc4)n5,mk14,0
+CC(C)(C)C(=O)C(Cc3cccc(c1cc(C(C)(C)S(C)(=O)=O)cc2cccnc12)c3)c4ccc(S(C)(=O)=O)cc4,mk14,0
+Oc1cc(N(=O)=O)cc3c1NC(Nc2ccccc2Cl)=NS3(=O)=O,mk14,0
+Cc4cc(C)c(NC(=O)Nc2cc1ccccc1cc2C(=O)N[C@@H](C3CCCCC3)C(O)=O)c(C)c4,mk14,0
+CC(C)(c5cc(c3cccc(\C=C(\c1ccc(S(C)(=O)=O)cc1)c2ncno2)c3)c4ncccc4c5)S(C)(=O)=O,mk14,0
+CCOc1ccccc1c4ccc(c3nc2ccc(F)cc2c(N[C@@H](C)C(O)=O)c3C#N)cc4,mk14,0
+Cc4ccc(OC(=O)N(CC(O)=O)Cc3cccc(OCc2nc(c1cccc(Cl)c1)oc2C)c3)cc4,mk14,0
+CC(C)(c4cc(c2cccc(c1ccncc1)c2)c3ncccc3c4)S(C)(=O)=O,mk14,0
+CN2[C@H](C(=O)NCc1cccc(C(F)(F)F)c1Cl)CCC2=O,mk14,0
+Oc3ccc(c2cc(c1cccc(O)c1)cs2)cc3,mk14,0
+O=C(Nc1ccccc1)c3cc(c2ccncc2)nc4ccccc34,mk14,0
+Cc3cc(Br)cc4[nH]c(c2c(N[C@H](CO)Cc1ccccc1)cc[nH]c2=O)nc34,mk14,0
+CCn5cc(c1ccnc2[nH]ccc12)c(c4ccc(NC(=O)Nc3ccccc3)cc4)n5,mk14,0
+C[C@@H](Oc4cc(n2cnc3cc(c1ccncc1)ccc23)sc4C(N)=O)c5ccccc5Cl,mk14,0
+FC(F)(F)Oc1ccccc1CNC(=O)N3CCC(c2ccncc2)C3,mk14,0
+C[C@@H](Oc5cc(n3cnc4cc(c2ccnc(N1CCOCC1)c2)ccc34)sc5C(N)=O)c6ccccc6C(F)(F)F,mk14,0
+C[C@H](NC(=O)C(C)(C)Oc1ccc(C(F)(F)F)cn1)[C@@H](Cc2ccc(Cl)cc2)c3cccc(C#N)c3,mk14,0
+CC(C)(C)Sc4c(CC(C)(C)C(O)=O)n(Cc2ccc(c1cccnc1)cc2)c5ccc(OCc3ccccn3)cc45,mk14,0
+Fc1ccccc1c5ccc4N=C(c3cccc(n2ccnc2)c3)CC(=O)Nc4c5,mk14,0
+O[C@@H]5[C@@H](COC(=O)\C=C\c1ccc(O)cc1)O[C@@H](Oc4c(c2ccc(O)cc2)oc3cc(O)cc(O)c3c4=O)[C@H](O)[C@H]5O,mk14,0
+Cc4cc(N1CCC(O)CC1)cc5[nH]c(c3c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c3=O)nc45,mk14,0
+O=C1C4CCN1c2ccccc2c6cccc(Oc5cc(Cn3cncc3CN4)ccc5C#N)c6,mk14,0
+CN6CCN(C5CCN(c4cc(C)c3nc(c2c(NC[C@@H](O)c1cccc(Cl)c1)cc[nH]c2=O)[nH]c3c4)CC5)CC6,mk14,0
+COc6cccc(Cn4c(=O)n(C3CCN(C(=O)C2CCN(Cc1ccncc1)CC2)CC3)c5ccccc45)c6,mk14,0
+Oc4ccc(c3ccc2C(c1ccncc1)CCCc2c3)cc4O,mk14,0
+O=S(=O)(Nc3ccc2CCN(Cc1cc[nH]n1)CCc2c3)c5ccc(c4ccccc4)cc5,mk14,0
+Cc4cc(N1CCOCC1)cc5[nH]c(c3c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c3=O)nc45,mk14,0
+CCc1nc(N)nc(N)c1c4ccc3OC(C)(c2cccc(C(F)(F)F)c2)C(=O)N(CCNC(C)=O)c3c4,mk14,0
+Clc4cccc(C(=O)c2cc(Cc1ccc(=O)[nH]n1)cc3ccoc23)c4,mk14,0
+Cc5cc4cc(NC(\N[C@H]2CCCCN(CC(=O)N1CCCC1)C2=O)=N/C(=O)c3cccnc3)ccc4o5,mk14,0
+C[C@@H]5CN(Cc4ccc(c1ccccc1C(=O)N3CCC(Cc2ccc(F)cc2)CC3)cc4)C[C@H](C)N5,mk14,0
+Cc1cc(C(N)=O)c5c(n1)n(C)c4c(N3CCN(CCc2ccc(F)c(F)c2)CC3)ncnc45,mk14,0
+NC(C(=O)N3CCC(Nc2ccc1[nH]ncc1c2)CC3)c4cccc(Cl)c4,mk14,0
+Cn4c1cccc(C(N)=O)c1c5ncnc(N3CCN(CCc2ccc(F)c(F)c2)CC3)c45,mk14,0
+Oc4ccc(c3ccc2C(c1ccncc1)=CCCc2c3)cc4O,mk14,0
+NC(C(=O)N3CCN(c2ccc1[nH]ncc1c2)CC3)c4cccc(Cl)c4,mk14,0
+Cc5cc(c1ncsc1Cl)c4cccc(OCc2c(C)ccnc2Cn3cccc(C(F)(F)F)c3=O)c4n5,mk14,0
+Cc5cnc(c4cc(C)c3nc(c2c(NCC(O)c1cccc(Cl)c1)cc[nH]c2=O)[nH]c3c4)[nH]5,mk14,0
+Cc5n[nH]c6ncc(c3cc(OC[C@@H](N)Cc1c[nH]c2ccccc12)cnc3c4ccoc4)nc56,mk14,0
+Cc5cc4cc(NC(\N[C@H]2CCCCN(CC(=O)N1CCCC1)C2=O)=N/C(=O)c3cccn(=O)c3)ccc4o5,mk14,0
+Cc5n[nH]c6ncc(c3cc(OC[C@@H](N)Cc1c[nH]c2ccccc12)cnc3c4ccoc4)cc56,mk14,0
+CC3OC(Cc2ccc(Cl)c(Oc1cc(Cl)cc(C#N)c1)c2F)=NNC3=O,mk14,0
+Cc5cc(N2CCC(NC(=O)C1CC1)CC2)cc6[nH]c(c4c(NC[C@@H](O)c3cccc(Cl)c3)cc[nH]c4=O)nc56,mk14,0
+COc6cccc(N5C(=O)N(Cc1ccccc1F)C4(CCN(Cc3ccc(c2ccncc2)cc3)CC4)C5=O)c6,mk14,0
+Clc4cccc(Cc2cc(Cc1ccc(=O)[nH]n1)cc3ccoc23)c4,mk14,0
+COc6cccc(N5C(=O)N(Cc1ccccc1F)C4(CCN(Cc3ccc(n2ccnc2)cc3)CC4)C5=O)c6,mk14,0
+Fc4ccc(c3ccc2C(c1ccncc1)=CCc2c3)cc4,mk14,0
+CC(C)c5c(c2nnc(N1CCC(N)CC1)o2)cn6ncnc(Nc4cc(C(=O)NC3CC3)c(F)cc4F)c56,mk14,0
+Cc5cc(N1CCC2(CC1)OCCO2)cc6[nH]c(c4c(NC[C@@H](O)c3cccc(Cl)c3)cc[nH]c4=O)nc56,mk14,0
+N[C@@H](Cn4c(=O)c(c2ccc(COC(=O)C1CC1)cc2)cn(Cc3c(F)cccc3C(F)(F)F)c4=O)c5ccccc5,mk14,0
+COc5cccc(CCN(Cc1ccccc1c3ccc(CN2C[C@@H](C)N[C@@H](C)C2)cc3)C(=O)NC4CCCCC4)c5,mk14,0
+Cc4cnc(CNc3cc(c1ccccc1)nc(c2ccncc2)n3)nc4,mk14,0
+O[C@H]4C=C2[C@@H](NC(=O)c3c(O)c1OCOc1cc23)[C@H](O)[C@@H]4O,mk14,0
+CC(C)c5c(c2nnc(N1CCN(C)CC1)o2)cn6ncnc(Nc4cc(C(=O)NC3CC3)c(F)cc4F)c56,mk14,0
+Cc5cc(N2CCC(N1CCCC1)CC2)cc6[nH]c(c4c(NC[C@@H](O)c3cccc(Cl)c3)cc[nH]c4=O)nc56,mk14,0
+Cc5cccc(NC(=O)Nc4ccc(c2csc3c(c1cccnc1)cnc(N)c23)cc4)c5,mk14,0
+Cc3cc(c2ccc(c1cccc(O)c1)s2)ccc3O,mk14,0
+COc5ccc(N4[C@H](C(O)=O)[C@H](Cc3cccc(OCCc2nc(c1ccccc1)oc2C)c3)C4=O)cc5,mk14,0
+CCCCCCCC4O[C@H](CCC(\C)=C\COc2c1ccoc1cc3oc(=O)ccc23)C(C)(C)O4,mk14,0
+Cc2ccc(C(=O)NC1CC1)cc2c4ccc3ccncc3c4,mk14,0
+NC(=O)c6cn(c2ccc1CCCc1c2)c5nc(Nc4ccc(C[C@H]3COC(=O)N3)cc4)ncc5c6=O,mk14,0
+Cc2ccc(C(=O)Nc1cccc(C(F)(F)F)c1)cc2NC(=O)c3cccnc3,mk14,0
+Cc2ccc(NC(=O)c1cccc(C(F)(F)F)c1)cc2NC(=O)c3cccnc3,mk14,0
+NC(=O)c6cn(c2ccc1CCCc1c2)c5nc(Nc4ccc(CN3CCOCC3)cc4)ncc5c6=O,mk14,0
+NC(=O)c3cnc2cc(c1ccncc1)ccc2c3Nc4cccc5[nH]ncc45,mk14,0
+NC(=O)c6cn(c2ccc1CCCc1c2)c5nc(Nc4cccc(C(=O)N3CCCCC3)c4)ncc5c6=O,mk14,0
+FC(F)(F)c4cccc(Nc2noc3c(C(=O)Nc1cncnc1)c(Cl)ccc23)c4,mk14,0
+NC(=O)c6cn(c2ccc1CCCc1c2)c5nc(Nc4ccc(N3CCNCC3)cc4)ncc5c6=O,mk14,0
+NC(=O)c3cnc2cc(c1ccncc1)ccc2c3Nc4n[nH]c5ccccc45,mk14,0
+NC(=O)c4cnc3cc(c2ccc(C(=O)C1CC1)cc2)ccc3c4Nc5ccccc5,mk14,0
+CN6CCN(Cc5ccc(Nc4ncc3c(=O)c(C(N)=O)cn(c2ccc1CCCc1c2)c3n4)cc5)CC6,mk14,0
+O=C(Nc3cccc(c1cncc2ccccc12)c3)c4ccccc4NCc5ccncc5,mk14,0
+CS(=O)(=O)c4cccc(c2cnc(N)c3c(c1ccc(F)c(Cl)c1)csc23)c4,mk14,0
+CN5CCN(Cc4ccc(C(=O)Nc3ccc(C)c(c2ccc(c1nnc(C)o1)cc2C)c3)cc4)CC5,mk14,0
+Nc3n[nH]c4nccc(c2ccc(NC(=O)Nc1cccc(C(F)(F)F)c1)cc2)c34,mk14,0
+CN6CCN(CC(=O)Nc1cccc2c1Cc3c2n[nH]c3c5csc(C#CCOc4ccccc4)c5)CC6,mk14,0
+O=C6NC(=O)C1(CCCN1c5ccc(Oc4ccc(c3nc(c2ccc(C#N)cc2)co3)cc4)nc5)C(=O)N6,mmp13,1
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+O/N=C4\CCc5cc(c2cn(C1CCOCC1)nc2c3ccncc3)ccc45,plk1,0
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+O/N=C4\CCc5cc(c2cn(C1CCNCC1)nc2c3ccncc3)ccc45,plk1,0
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+Cc5cc4cc(NC(\N[C@H]2CCCCN(CC(=O)N1CCCC1)C2=O)=N/C(=O)c3cccnc3)ccc4o5,pparg,0
+Cc5cccc(NC(=O)Nc4ccc(c2csc3c(c1cccnc1)cnc(N)c23)cc4)c5,pparg,0
+COc5cccc(CCN(Cc1ccccc1c3ccc(CN2C[C@@H](C)N[C@@H](C)C2)cc3)C(=O)NC4CCCCC4)c5,pparg,0
+CC(C)c5c(c2nnc(N1CCC(N)CC1)o2)cn6ncnc(Nc4cc(C(=O)NC3CC3)c(F)cc4F)c56,pparg,0
+Cc5cc(C)n(CC(NC(=O)NC3CCN(Cc2ccn(c1ccc(C(F)(F)F)cc1)c2)CC3)c4ccccc4)n5,pparg,0
+O=C1C4CCN1c2ccccc2c6cccc(Oc5cc(Cn3cncc3CN4)ccc5C#N)c6,pparg,0
+Cc5cc4cc(NC(\N[C@H]2CCCCN(CC(=O)N1CCCC1)C2=O)=N/C(=O)c3cccn(=O)c3)ccc4o5,pparg,0
+Cc1cc(C(N)=O)c5c(n1)n(C)c4c(N3CCN(CCc2ccc(F)c(F)c2)CC3)ncnc45,pparg,0
+Clc4cccc(Cc2cc(Cc1ccc(=O)[nH]n1)cc3ccoc23)c4,pparg,0
+Fc1ccccc1c5ccc4N=C(c3cccc(n2ccnc2)c3)CC(=O)Nc4c5,pparg,0
+Clc4cccc(Oc2cc(Cc1ccc(=O)[nH]n1)cc3ccoc23)c4,pparg,0
+Cc4cnc(CNc3cc(c1ccccc1)nc(c2ccncc2)n3)nc4,pparg,0
+Oc6ccc(c5cc(=O)c4c(O)cc(O)c(c3c(c1ccc(O)cc1)oc2cc(O)cc(O)c2c3=O)c4o5)cc6,pparg,0
+FC(F)(F)c5ccc(n4ccc(CN3CCC(NC(=O)NC(Cn1ccnc1)c2ccccc2)CC3)c4)cc5,pparg,0
+CC(C)(C)OC(=O)N[C@H](Cc1cccc(F)c1C(F)(F)F)C(=O)NCc3nc2cccnc2n3C5(c4ccccc4)CC5,pparg,0
+CC(C)c5c(c2nnc(N1CCN(C)CC1)o2)cn6ncnc(Nc4cc(C(=O)NC3CC3)c(F)cc4F)c56,pparg,0
+Cc5n[nH]c6ccc(c3cc(OC[C@@H](N)Cc1c[nH]c2ccccc12)cnc3c4ccoc4)nc56,pparg,0
+CC(C)(C)c4ccc(C(O)CCCN3CCC(C(O)(c1ccccc1)c2ccccc2)CC3)cc4,pparg,0
+COCC(=O)O[C@]4(CCN(C)CCCc2nc1ccccc1[nH]2)CCc3cc(F)ccc3[C@@H]4C(C)C,pparg,0
+O=S(=O)(Nc3ccc2CCN(Cc1cc[nH]n1)CCc2c3)c5ccc(c4ccccc4)cc5,pparg,0
+COc5cc4nccc(Oc3ccc2c(C(=O)Nc1ccncc1)cccc2c3)c4cc5OC,pparg,0
+FC(F)(F)c5ccc(n4ccc(CN3CCC(NC(=O)NC(Cn1cncn1)c2ccccc2)CC3)c4)cc5,pparg,0
+CC(C)Cn4c(=O)n(C)c(=O)c5c(C(=O)N1CC[C@@H](O)C1)c(Cc2cncc3ccccc23)sc45,pparg,0
+CC(C)S(=O)(=O)n4c(N)nc5ccc(c2[nH]c(c1c(F)cccc1F)nc2c3ccccc3)cc45,pparg,0
+CN5CCC(CCOc4cn3ncnc(Oc2ccc1[nH]c(C)cc1c2F)c3c4C)CC5,pparg,0
+Cc3cccc4[nH]c(c2c(NCC(O)c1cccc(Cl)c1)cc[nH]c2=O)nc34,pparg,0
+FC(F)(F)c1ccccc1OC4CCN(c3ccc(n2ccnc2)nn3)CC4,pparg,0
+COc5cccc([C@@H]4CCO[P@](=O)(COc2cc(C)c(C)c3Cc1scnc1c23)O4)c5,pparg,0
+CC(C)Nc5nnc(c4cn3ncnc(Nc2cc(C(=O)NC1CC1)c(F)cc2F)c3c4C(C)C)o5,pparg,0
+Fc3cc(N2C[C@H](Cn1ccnn1)OC2=O)ccc3c5ccc(C(=O)Cn4ccnc4)nc5,pparg,0
+Cc5nnc(c4ccc(c3cc(C(=O)Nc2cccc(N1CCOCC1)c2)ccc3C)c(C)c4)o5,pparg,0
+CONC(=O)c5cn(c2ccc1CCCc1c2)c4nc(Nc3ccc(CCS(=O)(=O)NC(C)=O)cc3)ncc4c5=O,pparg,0
+CONC(=O)c6cn(c2ccc1CCCc1c2)c5nc(Nc4ccc(CCN3CCC(F)(F)CC3)cc4)ncc5c6=O,pparg,0
+NC(=O)c6cn(c2ccc1CCCc1c2)c5nc(Nc4ccc(C[C@H]3COC(=O)N3)cc4)ncc5c6=O,pparg,0
+CC(C)(C)c6cc(NC(=O)Nc5ccc(c1cn4c(n1)sc3cc(OCCN2CCOCC2)ccc34)cc5)no6,pparg,0
+Cc5cccc(NC(=O)Nc4ccc(c3cnc2c(c1cnn(C)c1)ccn2c3N)cc4)c5,pparg,0
+CN6CCN(Cc5ccc4c(Cc3c(c2csc(C#CCOc1ccccc1)c2)n[nH]c34)c5)CC6,pparg,0
+CN(c4cccc(C(=O)Nc3ccc(C)c(NC(=O)c2ccc1ncccc1c2)c3)c4)S(C)(=O)=O,pparg,0
+CONC(=O)c5cn(c2ccc1CCCc1c2)c4nc(Nc3ccc(OC)nc3)ncc4c5=O,pparg,0
+CN5CCN(Cc4ccc(C(=O)Nc3ccc(C)c(c2ccc(c1nnc(C)o1)cc2C)c3)cc4)CC5,pparg,0
+CONC(=O)c6cn(c2ccc1CCCc1c2)c5nc(Nc4ccc(CCN3CCNC(=O)C3)cc4)ncc5c6=O,pparg,0
+CCN6CCCC(O)(c5cccc(Nc4ncc3c(=O)c(C(=O)NOC)cn(c2ccc1CCCc1c2)c3n4)c5)C6,pparg,0
+NC(=O)c6cn(c2ccc1CCCc1c2)c5nc(Nc4ccc(CN3CCOCC3)cc4)ncc5c6=O,pparg,0
+CN6CCN(Cc5ccc(Nc4ncc3c(=O)c(C(N)=O)cn(c2ccc1CCCc1c2)c3n4)cc5)CC6,pparg,0
+CONC(=O)c5cn(c2ccc1CCCc1c2)c4nc(NCc3ccccc3)ncc4c5=O,pparg,0
+Nc3n[nH]c4nccc(c2ccc(NC(=O)Nc1cccc(C(F)(F)F)c1)cc2)c34,pparg,0
+CONC(=O)c6cn(c2ccc1CCCc1c2)c5nc(Nc4ccc(C3CCN(C)CC3)cc4)ncc5c6=O,pparg,0
+CCN6CCCC(O)(c5cccc(Nc4ncc3c(=O)c(C(=O)NOC)cn(c2cnc1CCCc1c2)c3n4)c5)C6,pparg,0
+CC(C)(C)c4cc(NC(=O)Nc3ccc(NC(=O)c2cc1ccccc1cn2)cc3)no4,pparg,0
+FC(F)(F)c4cccc(Nc2noc3c(C(=O)Nc1cncnc1)c(Cl)ccc23)c4,pparg,0
+CCONC(=O)c6cn(c2ccc1CCCc1c2)c5nc(Nc4ccc(CCN3CCN(C)CC3)cc4)ncc5c6=O,pparg,0
+CC3CC(C)(C)Nc4c(C)cc(c1cccc2[nH]ccc12)c(Cl)c34,prgr,1
+CC3=CC(C)(C)Nc4cc2Cc1cc(F)ccc1c2c(F)c34,prgr,1
+CC3CC(C)(C)Nc4c(C)cc(c1cccc2cc[nH]c12)c(Cl)c34,prgr,1
+O=C3N(c1ccc(C#N)cc1)C(=O)C2(CCCCC2)c4ccccc34,prgr,1
+CC2=CC(C)(C)Nc3ccc(c1cc(F)cc(N(=O)=O)c1)cc23,prgr,1
+CC4(c1ccccc1)OC(S)=Nc3ccc(c2cccc(Cl)c2)cc34,prgr,1
+CC3(C(=O)Nc1nncs1)CC5(C)c2ccccc2C3c4ccccc45,prgr,1
+CC3(C(=O)Nc1nccs1)CC5(C)c2ccccc2C3c4ccccc45,prgr,1
+CC3CC(C)(C)Nc4cc2Cc1ccccc1c2cc34,prgr,1
+O=C3N(c1ccc(C#N)cc1)C(=O)C2(CCCC2)c4ccccc34,prgr,1
+CC3CC(C)(C)Nc4c(C)cc(c1c[nH]c2ccccc12)c(Cl)c34,prgr,1
+Oc3nc2ccc(c1cc(F)cc(C#N)c1)cc2n3C4CCCCC4,prgr,1
+Fc4cc(C#N)cc(c3ccc2NC(=O)C1(CCCC1)c2c3)c4,prgr,1
+CC3CC(C)(C)Nc4ccc2c(COc1c(F)cc(F)cc12)c34,prgr,1
+SC3=Nc2ccc(c1csc(C#N)c1)cc2C34CCCCC4,prgr,1
+CC3(C)OCC(=O)Nc2ccc(c1cccc(F)c1)cc23,prgr,1
+CC3=CC(C)(C)Nc4cc2[nH]c1ccccc1c2cc34,prgr,1
+CC4(Cc1ccccc1)C(=O)Nc3ccc(c2cccc(Cl)c2)cc34,prgr,1
+CC4Nc2ccc(c1cc(F)cc(C#N)c1)cc2C(C)(c3ccccc3)O4,prgr,1
+SC3=Nc2ccc(c1ccc(C#N)o1)cc2C34CCCCC4,prgr,1
+CC3(C)OCC(=S)Nc2ccc(c1cc(F)cc(F)c1)cc23,prgr,1
+CC3=CC(C)(C)Nc4cc2oc1ccccc1c2cc34,prgr,1
+CC4Nc2ccc(c1sc(C#N)cc1C)cc2C3(CCCCC3)O4,prgr,1
+Oc3nc2ccc(c1cc(F)cc(C#N)c1)cc2n3C4CCCC4,prgr,1
+O=C4COC1(CCCCC1)c3cc(c2ccc(C#N)[nH]2)ccc3N4,prgr,1
+CC3=CC(C)(C)Nc4cc2c(=O)c1cccc(F)c1c2cc34,prgr,1
+CC3CC(C)(C)Nc4c(C)cc(c2cc1ccccc1[nH]2)c(Cl)c34,prgr,1
+Fc4ccc(c3ccc2[nH]c(=S)n(C1CCCC1)c2c3)cc4Cl,prgr,1
+Oc4cc(C(F)(F)F)c3cc2[C@H]1CCCC[C@H]1Nc2cc3n4,prgr,1
+Cc3cccc(c2ccc1C(=N\O)\CC(C)(C)c1c2)c3,prgr,1
+Fc5ccc(N4NC(C=O)C3CCCC(Cc2ccc1ccccc1c2)C34)cc5,prgr,1
+Sc3nc2ccc(c1cccc(N(=O)=O)c1)cc2n3Cc4ccccc4,prgr,1
+SC4=Nc2ccc(c1cccc(C#N)c1)cc2C3(CCCCC3)O4,prgr,1
+CC3(C)OC(=O)Nc2ccc(c1cc(F)cc(Cl)c1)cc23,prgr,1
+Oc3nc2ccc(c1cc(F)cc(C#N)c1)cc2n3c4ccccc4,prgr,1
+COc1ccc(F)cc1C(C)(C)CC(O)(C(=O)Nc3ccc2c(=O)onc(C)c2c3)C(F)(F)F,prgr,1
+SC3=Nc2ccc(c1cccc(Cl)c1)cc2C34CCCC4,prgr,1
+Cc3noc(=O)c4ccc(NC(=O)C(O)(CC(C)(C)c2cccc1CCOc12)C(F)(F)F)cc34,prgr,1
+Fc4cc(C#N)cc(c3ccc2[nH]c(=S)n(C1CCC1)c2c3)c4,prgr,1
+CCC(=O)[C@@]4(C)CC[C@H]3[C@@H]2CCC1=CC(=O)CCC1=C2CC[C@@]34C,prgr,1
+SC3=Nc2ccc(c1coc(C#N)c1)cc2C34CCCCC4,prgr,1
+Cn1c(C#N)ccc1c4ccc2c(CCCC2(O)c3ccccc3)c4,prgr,1
+Oc3nc2ccc(c1cc(F)cc(C#N)c1)cc2n3C4CCC4,prgr,1
+CC3=CC(C)(C)Nc4ccc2c(Cc1ccccc12)c34,prgr,1
+Cn1c(C#N)ccc1c4cc(F)c3NC(=O)C2(CCCC2)c3c4,prgr,1
+CC(N(Cc1ccccc1Cl)c2ccc(C#N)c(Cl)c2)c3nnc(C)o3,prgr,1
+CN3CC(=O)Nc2ccc(c1ccc(F)c(Cl)c1)cc2C3(C)C,prgr,1
+CC2=CC(C)(C)Nc3cc1nc(O)cc(C(F)(F)F)c1cc23,prgr,1
+CC1(C)CC(=C)c5c(N1)ccc4c2ccccc2OC(c3ccc(Cl)cc3)c45,prgr,1
+CC(N(Cc1ccccc1Cl)c2ccc(C#N)c(Cl)c2)c3cc(C)no3,prgr,1
+CC2=CC(C)(C)Nc3ccc(c1ccc(N(=O)=O)s1)cc23,prgr,1
+CC3Nc2ccc(c1cc(F)cc(C#N)c1)cc2C(C)(C)O3,prgr,1
+CC2CC(C)(C)Nc3cc1nc(O)cc(C(F)(F)F)c1cc23,prgr,1
+CC3(C)C(=O)Nc2ccc(c1cc(F)cc(C#N)c1)cc23,prgr,1
+CC3(C)C(S)=Nc2ccc(c1cccc(Cl)c1)cc23,prgr,1
+CC3(CC=C)OC(S)=Nc2ccc(c1cccc(Cl)c1)cc23,prgr,1
+Cn1c(C#N)ccc1c4cc(F)c3NC(=O)C2(CCCCC2)c3c4,prgr,1
+CC2=NCC(=O)Nc3ccc(c1ccc(F)c(Cl)c1)cc23,prgr,1
+CCC4(c1ccccc1)OC(=O)N(C)c3ccc(Nc2cccc(Cl)c2)cc34,prgr,1
+CCC3(CC)C(=O)N(c1ccc(C#N)cc1)C(=O)c2ccccc23,prgr,1
+CC(C)(CC(O)(C(=O)Nc2ccc1C(=O)OCc1c2)C(F)(F)F)c3cc(F)ccc3O,prgr,1
+Clc4cccc(c3ccc2NC(=O)C1(CCC1)c2c3)c4,prgr,1
+CC3=CC(C)(C)Nc4ccc2c1ccccc1oc2c34,prgr,1
+Clc4cccc(c3ccc2NC(=O)C1(CC1)c2c3)c4,prgr,1
+COc1ccc(F)cc1C(C)(C)CC(O)(CNc3ccc2C(=O)OCc2c3)Cc4ccccc4,prgr,1
+Cc4ccc3Cc2c(c1ccccc1)nc(N)nc2c3c4,prgr,0
+Cc4ccc(c3nn2c(N)nc1ccc(Cl)cc1n2c3=O)cc4,prgr,0
+Cc3c(C)c2c(N)nc(c1ccccc1)nc2n3c4ccccc4,prgr,0
+Nc4nc(c1ccco1)c3ncn(Cc2ccc(C(F)(F)F)cc2F)c3n4,prgr,0
+Nc4nc(c1ccccc1)c3oc2ccccc2c3n4,prgr,0
+Nc4ccc(n3nc2c(N)nc1ccccc1n2c3=O)cc4,prgr,0
+Nc5nc(c1ccccc1)c4c(=O)c3cccc(CN2CCCCC2)c3c4n5,prgr,0
+Nc4nc(c1cc[nH]n1)c3cnn(Cc2ccccc2F)c3n4,prgr,0
+CCCCNC(=O)c3cc(N)c2c(=O)c1ccccc1c(=O)c2c3N,prgr,0
+Nc3nc(c1ccccc1)nc(c2ccccc2)c3C#N,prgr,0
+Nc3nc1ccc(Cl)cc1c4nc(c2ccco2)nn34,prgr,0
+Cc4ccc3Cc2c(C1CCC(Br)O1)nc(N)nc2c3c4,prgr,0
+Nc4nc(c1ccco1)c3ccn(Cc2ccccc2F)c3n4,prgr,0
+Nc4nc(c1ccccc1)c3c(=O)c2ccccc2c3n4,prgr,0
+C#CCOc3nc(c1ccccc1)nc4sc2CCCc2c34,prgr,0
+Nc4nc2n(Cc1ccc(F)cc1)ncc2c5nc(c3ccco3)nn45,prgr,0
+C#CCOc3nc(c1ccccc1)nc4sc2CCCCc2c34,prgr,0
+Nc4ccc(Cn2nnc3c(c1ccco1)nc(N)nc23)cc4F,prgr,0
+Nc5nc(c1ccco1)c4ncn(Cc3cc2OCOc2cc3Cl)c4n5,prgr,0
+Nc5nc(c1ccccc1)c4c(=O)c3cccc(CN2CCOCC2)c3c4n5,prgr,0
+Nc4nc(c1ccccn1)c3cnn(Cc2ccccc2F)c3n4,prgr,0
+Nc5nc(c1ccco1)c4nnn(Cc3ccc2[nH]nnc2c3)c4n5,prgr,0
+COc3cccc(c2nc(Cc1ccc(C)c(C)c1)n[nH]2)c3,prgr,0
+c5ccc(c4nc3c1[nH]cnc1nc(c2ccccc2)n3n4)cc5,prgr,0
+Cc4nc(c2sc(NC(=O)C1CC1)nc2c3ccccc3)no4,prgr,0
+Nc4nc(c1ccco1)c3cnn(Cc2cccc(Cl)c2)c3n4,prgr,0
+Cc4noc(c2sc(NC(=O)C1CC1)nc2c3ccccc3)n4,prgr,0
+CCCCc3nc1[nH]cnc1c4nc(c2ccccc2Cl)nn34,prgr,0
+Cc3nn(c1cccc(N)c1)c4oc2ccccc2c(=O)c34,prgr,0
+CC(=O)NCCNc2[nH]c(c1ccccc1)nc3nc(C)c(C)c23,prgr,0
+Nc3nc(c1ccccc1)cc(c2ccco2)c3C#N,prgr,0
+Nc5nc(c1ccco1)c4nnn(Cc3ccc2[nH]ccc2c3)c4n5,prgr,0
+Fc4ccc(Cc3nc2sc1CCCCc1c2c(=O)n3CC#C)cc4,prgr,0
+OC[C@H]6O[C@@H](n4cnc5c(NCc1cccc2ccccc12)nc(NC3CCCC3)nc45)[C@H](O)[C@@H]6O,prgr,0
+Nc4nc(c1ccncc1)c3c(=O)c2ccccc2c3n4,prgr,0
+Nc5nc(c1ccco1)c4ncn(Cc3ccc2ccccc2c3)c4n5,prgr,0
+Nc4nc(c1ccco1)c3nnn(CC2CCCCC2)c3n4,prgr,0
+CCCCn1ncc3c1nc(N)n4nc(c2ccco2)nc34,prgr,0
+Cc4csc(c2nc(N)nc3n(Cc1ccccc1F)nnc23)n4,prgr,0
+Nc4nc2n(Cc1ccccc1)cnc2c5nc(c3ccco3)nn45,prgr,0
+Nc5nc(c1ccco1)c4nnn(Cc3ccc2[nH]ncc2c3)c4n5,prgr,0
+Nc4nc2n(Cc1ccccc1)nnc2c5nc(c3ccco3)nn45,prgr,0
+OC[C@H]4O[C@H](n2cnc3c(NC1CCCC1)ncnc23)[C@@H](O)[C@H]4O,prgr,0
+Nc3nc(c1ccco1)cc(c2ccccc2)c3C#N,prgr,0
+Nc4nc(c1cccs1)c3cnn(Cc2ccccc2F)c3n4,prgr,0
+Nc4nc(c1ccccc1)c(C#N)c(c3ccc2OCOc2c3)n4,prgr,0
+Nc4nc(c1cccs1)c3nnn(Cc2ccccc2F)c3n4,prgr,0
+Nc3nc(SCCc1ccccc1)nc4n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cnc34,prgr,0
+Nc3nc(c1ccccc1)c(C#N)c(c2ccccc2)n3,prgr,0
+Nc4ncnc5n(C1CCCC1)nc(c3cnc2[nH]ccc2c3)c45,prgr,0
+Oc4ccc(Nc2[nH]nc3ncnc(Nc1cccc(Cl)c1)c23)cc4,prgr,0
+Oc4cccc(c2[nH]nc3ncnc(Nc1cccc(Cl)c1)c23)c4,prgr,0
+Nc3ncnc4n(C1CCCC1)cc(c2cccc(O)c2)c34,prgr,0
+FC(F)C(F)(F)Oc4cccc(Nc3nccc(c1c[nH]c2ccccc12)n3)c4,prgr,0
+Nc3ncnc4n(c1ccccc1)cc(c2ccccc2)c34,prgr,0
+Fc4ccc(C(Cl)Cn2ncc3c(NCc1ccccc1F)ncnc23)cc4,prgr,0
+Nc3ncnc4n(C1CCC1)cc(c2cccc(O)c2)c34,prgr,0
+COc4cc3nccc(Oc2ccc1c(C(N)=O)cccc1c2)c3cc4OC,prgr,0
+Cc1nc(N)sc1c3ccnc(Nc2cccc(N(=O)=O)c2)n3,prgr,0
+NCc4ccc(c3cn2c(c1cn[nH]c1)cnc2cn3)cc4,prgr,0
+Fc3ccc(CSc2nnc(NC(=O)c1ccc(F)cc1)s2)cc3,prgr,0
+Nc3cccc(Nc2nccc(c1ccncc1)n2)c3,prgr,0
+COc3cc2ncnc(Nc1cccc(Br)c1)c2cc3OC,prgr,0
+COc4cc3Cc2c(Nc1cccc(F)c1)[nH]nc2c3cc4OC,prgr,0
+Cc4cc(c1cc(O)ccc1Cl)cc5nnc(Nc3ccc(C(=O)N2CCS(=O)(=O)CC2)cc3)nc45,prgr,0
+CN4C(=O)N(c2cc(NC(=O)c1cccc(C(F)(F)F)c1)ccc2C)Cc5cnc(Nc3ccc(C)nc3)nc45,prgr,0
+CC(C)(C)n2nc(c1ccc(Cl)cc1)c3c(N)ncnc23,prgr,0
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+O[C@@H](CNCCc4ccc(NS(=O)(=O)c3ccc(n2ncc(Cc1cccc(F)c1)n2)cc3)cc4)c5cccnc5,rock1,0
+O[C@@H](CNCCc4ccc(NS(=O)(=O)c3ccc(c2nc(CCc1ccccc1)cs2)cc3)cc4)c5cccnc5,rock1,0
+O[C@@H](CNCCc3ccc(NC(=O)c2cccc(CCc1ccccc1)c2)cc3)c4cccnc4,rock1,0
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+O[C@@H](CNCCc4ccc(NS(=O)(=O)c3ccc(c2cnc(CCCC1CCCC1)o2)cc3)cc4)c5cccnc5,rock1,0
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+N[C@H](COc4cncc(c3ccc2[nH]nc(c1ccccc1)c2c3)c4)Cc5c[nH]c6ccccc56,rock1,0
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+OC(=O)c7ccc6nc(c1ccccc1)c(c5ccc(CN4CCC(n2c(=O)[nH]c3ccccc23)CC4)cc5)nc6c7,rock1,0
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+N[C@H](COc4cnc(c1ccco1)c(c3ccc2cnccc2c3)c4)Cc5c[nH]c6ccccc56,rock1,0
+O=c2[nH]c1ccccc1n2C8CCN(Cc7ccc(c5nc4cc(n3cnnn3)ccc4nc5c6ccccc6)cc7)CC8,rock1,0
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+OC(=O)c7ccc6nc(c4ccc(CN3CCC(n1c(=O)[nH]c2ccccc12)CC3)cc4)c(c5ccccc5)nc6c7,rock1,0
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+Cc2nc1ccccc1n2C7CCN(Cc6ccc(c4nc3ncnc(N)c3cc4c5ccccc5)cc6)CC7,rock1,0
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+CC(C)CC6=NC(c1ccccc1)=C(c5ccc(CN4CCC(n2c(O)nc3ccccc23)CC4)cc5)NC6O,rock1,0
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+NCc4cccc(c3c[nH]c(\C=c1/c(=O)[nH]c2ccc(NC(N)=O)cc12)c3)c4,rock1,0
+NC(=O)Nc5ccc4[nH]c(=O)\c(=C/c3cc(c2cccc(C(=O)NCCN1CCCCC1)c2)c[nH]3)c4c5,rock1,0
+NC5(Cc1cccc2ccccc12)CCN(c3ncnc4[nH]ccc34)CC5,rock1,0
+CSc6ncc5cc(c1ccccc1)c(c4ccc(CNCCc3n[nH]c(c2ccccc2)n3)cc4)nc5n6,rock1,0
+CN(C)C4CCN(C(=O)c3c[nH]c(\C=c1/c(=O)[nH]c2ccc(NC(N)=O)cc12)c3)C4,rock1,0
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+C/C(c2cc(CNC(=O)CCN1CCCCC1)c[nH]2)=c3/c(=O)[nH]c4ccc(NC(N)=O)cc34,rock1,0
+NC(=O)Nc4ccc3[nH]c(=O)\c(=C/c2cc(C(=O)NCCc1ccncc1)c[nH]2)c3c4,rock1,0
+NC(=O)Nc4ccc3[nH]c(=O)\c(=C/c2cc(c1cccnc1)c[nH]2)c3c4,rock1,0
+OC(=O)Cn4cc(Cc2nc1c(F)c(F)cc(F)c1s2)c5ccc(c3ccccc3)cc45,rock1,0
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+OC(=O)Cn5nc2c(CCc1ccccc12)c(Cc4nc3cc(C(F)(F)F)ccc3s4)c5=O,rock1,0
+OC(=O)Cc4nn(Cc2nc1ccccc1s2)c(=O)c5cc3ccccc3cc45,rock1,0
+OC(=O)Cn4cc(Cc2nc1c(F)c(F)cc(F)c1s2)c5cc(c3ccccc3)ccc45,rock1,0
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+OC(=O)Cn4c(c1ccccc1)c(Cc3nc2c(F)c(F)cc(F)c2s3)c5ccccc45,rock1,0
+C[C@@H]4O[C@@H](Oc3c(c1ccc(O)c(O)c1)oc2cc(O)cc(O)c2c3=O)[C@H](O)[C@H](O)[C@H]4O,rock1,0
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+Fc4ccc3c1ccc(F)cc1C2(CC(=O)NC2=O)c3c4,rock1,0
+OC(=O)Cc3nn(Cc1ccc(Br)cc1F)c(=O)c4cc2ccccc2cc34,rock1,0
+Fc4ccc3c1ccc(F)cc1C2(NC(=O)NC2=O)c3c4,rock1,0
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+OC(=O)Cn4cc(Cc2nc1c(F)c(F)cc(F)c1s2)c5cc(OCc3ccccc3)ccc45,rock1,0
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+CC(=O)OCCn5c(=O)c4c(c1ccco1)nc3ccc(S(=O)(=O)N2CCOCC2)cc3c4c5=O,rock1,0
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+CC(C)C[C@H](NC(=O)CSc1cccc2ccccc12)C(=O)N[C@H]3CC(=O)OC3O,rock1,0
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+Oc1ccc5c(c1)[nH]c6c3ccc2cc[nH]c2c3c4c(=O)[nH]c(=O)c4c56,rock1,0
+O=c2[nH]c(=O)c1c5cn(CCOCCOCCOCCn3cc(c12)c4ccccc34)c6ccccc56,rock1,0
+Cn6ccc7ccc5c3[nH]c2c(CCN1CCC[C@H]1CO)cccc2c3c4c(=O)[nH]c(=O)c4c5c67,rock1,0
+O=c1[nH]c(=O)c6c1c3c2ccccc2ccc3c5[nH]c4ccccc4c56,rock1,0
+O=C(Cc2ccc(c1ccccc1)cc2)Nc4n[nH]c5ccc(N3CCCS3(=O)=O)cc45,rock1,0
+COc1ccc6c(c1)n(CCNC2CCC(O)CC2)c7c4ccc3ccn(C)c3c4c5c(=O)[nH]c(=O)c5c67,rock1,0
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+Cn6ccc7ccc5c3n2CC(CO)Cc1cccc(c12)c3c4c(=O)[nH]c(=O)c4c5c67,rock1,0
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+O=C(Cc2ccc(c1ccncc1)cc2)Nc4n[nH]c5ccc(N3CCCS3(=O)=O)cc45,rock1,0
+O=c1[nH]c(=O)c7c1c3c2ccccc2[nH]c3c6n5CCCCNCc4cccc(c45)c67,rock1,0
+O=C(Cc1cccc2ccccc12)Nc4n[nH]c5ccc(N3CCCS3(=O)=O)cc45,rock1,0
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+Clc6ccc5C[C@H](NCc4cc(NC(=O)Nc2cccc3C(=O)N1CCC[C@@H]1c23)[nH]n4)Cc5c6,rock1,0
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+N[C@H](CNc3ncc(c2ccc1cnccc1c2)s3)Cc4ccc(C(F)(F)F)cc4,rock1,0
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+c1c(cc(c(c1C#N)O)O)C(=O)NC23CC4CC(C2)CC(C4)C3,rock1,0
+c1ccc(cc1)CCCCC(=O)c2ccc(c(c2N(=O)=O)O)O,rock1,0
+CCCC(=O)OC(C)OC(=O)c1c(c2cc(c(c(c2s1)N(=O)=O)O)O)Cl,rock1,0
+CC(C)C(C(=O)OCOC(=O)c1c(c2cc(c(c(c2s1)N(=O)=O)O)O)Cl)N,rock1,0
+c1ccc(cc1)CC(=O)c2cc(c(c(c2)O)O)N(=O)=O,rock1,0
+CC(C)C(=O)OC(C)OC(=O)c1c(c2cc(c(c(c2s1)N(=O)=O)O)O)Cl,rock1,0
+c1c2c(c(c(c1O)O)N(=O)=O)sc(c2Cl)C(=O)OCc3coc(=O)o3,rock1,0
+c1ccc(cc1)CC(=O)c2ccc(c(c2N(=O)=O)O)O,rock1,0
+CC(C)C(=O)OCOC(=O)c1c(c2cc(c(c(c2s1)N(=O)=O)O)O)Cl,rock1,0
+CCCC(=O)OCOC(=O)c1c(c2cc(c(c(c2s1)N(=O)=O)O)O)Cl,rock1,0
+c1ccc(cc1)CCCC(=O)c2ccc(c(c2N(=O)=O)O)O,rock1,0
+C/C(=C\c1cc(c(c(c1)O)O)N(=O)=O)/C(=O)C,rock1,0
+CN(C)C(=O)/C(=C/c1cc(c(c(c1)O)O)N(=O)=O)/C#N,rock1,0
+CCCCOC(=O)c1c(c2cc(c(c(c2s1)N(=O)=O)O)O)Cl,rock1,0
+CC(=O)C(=Cc1cc(c(c(c1)O)O)N(=O)=O)C(=O)C,rock1,0
+CCCOC(=O)c1c(c2cc(c(c(c2s1)N(=O)=O)O)O)Cl,rock1,0
+c1c(cc(c(c1N(=O)=O)O)O)CCCCC(=O)O,rock1,0
+CC(C)OC(=O)c1c(c2cc(c(c(c2s1)N(=O)=O)O)O)Cl,rock1,0
+CCN(CC)C(=O)/C(=C/c1cc(c(c(c1)O)O)N(=O)=O)/C#N,rock1,0
+CCCNC(=O)c1cc(c(c(c1)O)O)O,rock1,0
+c1c2c(c(c(c1O)O)N(=O)=O)sc(c2Cl)C(=O)O,rock1,0
+CCOC(=O)/C(=C/c1cc(c(c(c1)O)O)N(=O)=O)/C#N,rock1,0
+c1c(cc(c(c1N(=O)=O)O)O)C=C(C#N)C#N,rock1,0
+CC(=O)c1cc(c(c(c1)O)O)N(=O)=O,rock1,0
+COC(=O)c1c(c2cc(c(c(c2s1)N(=O)=O)O)O)Cl,rock1,0
+c1c(cc(c(c1N(=O)=O)O)O)C(=O)O,rock1,0
+c1c(cc(c(c1N(=O)=O)O)O)CO,rock1,0
+c1c(cc(c(c1N(=O)=O)O)O)N(=O)=O,rock1,0
+c1c(cc(c(c1N(=O)=O)O)O)Cl,rock1,0
+c1c(cc(c(c1C=O)O)O)C=O,rock1,0
+c1c(cc(c(c1C#N)O)O)C=O,rock1,0
+c1c(cc(c(c1N(=O)=O)O)O)C#N,rock1,0
+Cc4cc(C)c(NC(=O)Nc2cc1ccccc1cc2C(=O)N[C@@H](C3CCCCC3)C(O)=O)c(C)c4,rock1,0
+Cc5cc(C)c4nc(c1ccncc1)cc(C(=O)Nc3ccc2ccccc2c3)c4c5,rock1,0
+Cc5noc(C(=C/c3cccc(c1cc(C(C)(C)S(C)(=O)=O)cc2cccnc12)c3)/c4ccc(S(C)(=O)=O)cc4)n5,rock1,0
+CC(C)C[C@@H](OCc1ccccc1)[C@H](NC(=O)c3cc2ccccc2cc3NC(=O)Nc4c(C)cc(C)cc4C)C(O)=O,rock1,0
+Brc5ccc4nc(c1ccncc1)cc(C(=O)Nc3ccc2ccccc2c3)c4c5,rock1,0
+C[C@@H](Oc5cc(n3cnc4cc(c2ccnc(N1CCOCC1)c2)ccc34)sc5C(N)=O)c6ccccc6C(F)(F)F,rock1,0
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+NCc5ccc(F)c(C4CCN(C(=O)c3cccc(c2nc(c1cccs1)no2)c3)CC4)c5,rock1,0
+CC4CCC([C@H](NC(=O)c2cc1ccccc1cc2NC(=O)Nc3c(Cl)cc(Cl)cc3Cl)C(O)=O)CC4,rock1,0
+CC[C@@H](OCc1ccccc1)[C@H](NC(=O)c3cc2ccccc2cc3NC(=O)Nc4c(C)cc(C)cc4C)C(O)=O,rock1,0
+OC(=O)c1ccccc1NC(=O)CCc2noc4c2ccc3cc(O)ccc34,rock1,0
+C[C@@H](Oc4cc(n2cnc3cc(c1ccnc(N)n1)ccc23)sc4C(N)=O)c5ccccc5C(F)(F)F,rock1,0
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+Cc3cn(Cc1ccc(Cl)cc1Cl)c4c(/C=C/C(=O)NS(=O)(=O)c2cc(Cl)c(Cl)s2)cc(F)cc34,rock1,0
+OC(=O)c1ccccc1NC(=O)CCc3ccc(c2ccc(O)cc2Cl)cc3,rock1,0
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+Cc3cc(C)c(NC(=O)Nc2cc1ccccc1cc2C(=O)N[C@@H](CCC(C)(C)C)C(O)=O)c(C)c3,rock1,0
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