ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
13511 | CCOC(=O)c1c(-n2cnnn2)sc(C)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][S][C][Branch1][C][C][=C][Ring1][O][C] | c15c6sc(C)c1C.n16cnnn1.C35=O.CC4.O34 |
13512 | CC1(C)CC2CC(C)(CN2C(=O)c2ccc(F)cc2)C1 | [C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][Branch2][Ring1][Ring2][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring1] | CC1(C)CC2CC(C)(CN23)C1.c14ccc(F)cc1.C34=O |
13513 | COc1cc(CNC2(O)CCOC(C)(C)C2)ccc1O | [C][O][C][=C][C][Branch2][Ring1][Ring2][C][N][C][Branch1][C][O][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2][=C][C][=C][Ring1][P][O] | C15(O)CCOC(C)(C)C1.c13cc6ccc1O.CO3.C46.N45 |
13514 | O=c1ccc(OCc2ccccc2)nn1-c1ccccc1 | [O][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=c1ccc4nn16.c15ccccc1.c16ccccc1.O34.C35 |
13515 | COc1cc(C=CC2=NC(=O)C(C)(C)O2)ccc1O | [C][O][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][=N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][Ring1][Branch2][=C][C][=C][Ring1][S][O] | c13cc(C=4)ccc1O.C=4C1=NC(=O)C(C)(C)O1.CO3 |
13516 | COc1cccc(NC(=O)CSc2nc(N)cc(N)n2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][N][=C][C][Branch1][C][N][=N][Ring1][Branch2][=C][Ring2][Ring1][Ring1] | c17nc(N)cc(N)n1.c14cccc6c1.C3(=O)C5.CO4.N36.S57 |
13517 | COC(=O)Cn1c(C)nc(=O)c(-c2ccccc2)c1C | [C][O][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][C] | n14c(C)nc(=O)c5c1C.c15ccccc1.C3(=O)C4.CO3 |
13518 | COc1cccc(NC(=O)CSc2nc3ccccc3n2C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch1] | c18nc2ccccc2n1C.c15cccc7c1.C4(=O)C6.CO5.N47.S68 |
13519 | Cc1nc(=O)c(-c2ccccc2)c(C)n1Cc1ccco1 | [C][C][=N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][C][N][Ring1][=C][C][C][=C][C][=C][O][Ring1][Branch1] | Cc1nc(=O)c5c(C)n13.c15ccccc1.c14ccco1.C34 |
13520 | O=C(Nc1cccc(Cl)c1)C(O)c1ccccc1 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13cccc(Cl)c1.c14ccccc1.O=C2C4O.N23 |
13521 | COc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | S3(=O)(=O)c1ccc(Cl)cc1.c12ccccc14.CO2.N34 |
13523 | Cc1ccc(S(=O)(=O)n2nc(C#N)c(C#N)c2N)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][N][=C][Branch1][Ring1][C][#N][C][Branch1][Ring1][C][#N][=C][Ring1][=Branch2][N][C][=C][Ring2][Ring1][Ring1] | Cc1ccc(S(=O)(=O)n2nc(C#N)c(C#N)c2N)cc1 |
13525 | COc1cc(OC)nc(NC(=O)CSc2nc3ccccc3[nH]2)n1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=N][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=N][Ring2][Ring1][=Branch1] | c19nc2ccccc2[nH]1.c15cc6nc8n1.C4(=O)C7.CO5.O6C.N48.S79 |
13526 | CCN(CC)C(=O)C1C(=O)N(C)C2(C)CC1c1ccccc1O2 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][C][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O] | C16C(=O)N(C)C2(C)CC1c1ccccc1O2.N345.C36=O.CC4.C5C |
13528 | Cc1ccc(N2C(=O)CN=C2Nc2nc(C)cc(C)n2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][N][=C][Ring1][=Branch1][N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc4c(C)c1.N14C(=O)CN=C1N3.c13nc(C)cc(C)n1 |
13529 | Cc1c(C)n(C(=O)CSc2nncn2C)c2ccccc12 | [C][C][=C][Branch1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] | Cc1c(C)n(C(=O)C3)c2ccccc12.c14nncn1C.S34 |
13530 | Cc1c(C)n(C(=O)CSc2nccn2C)c2ccccc12 | [C][C][=C][Branch1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][S][C][=N][C][=C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=Branch1] | Cc1c(C)n(C(=O)C3)c2ccccc12.c14nccn1C.S34 |
13531 | Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 | [C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Ring2][Ring1][Ring2] | Cn1c(=O)n(C)c2cc(S4(=O)=O)ccc21.N14CCOCC1 |
13532 | Cn1c(=O)n(C)c2cc(S(=O)(=O)NC3CCCC3)ccc21 | [C][N][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][#C][Ring2][Ring1][Ring2] | Cn1c(=O)n(C)c2cc(S4(=O)=O)ccc21.C15CCCC1.N45 |
13533 | CCC(=O)Nc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1OC | [C][C][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][Branch1][C][=N][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][C][O][C] | c17nn(C)c(=O)c2ccccc12.c16cc7ccc15.CCC4=O.N46.O5C |
13534 | Cn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc21 | [C][N][C][=Branch1][C][=O][O][C][=C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][C][=C][Ring1][P][Ring2][Ring1][Branch1] | Cn1c(=O)oc2cc(S4(=O)=O)ccc21.c15cccc(Cl)c1.N45 |
13535 | Cc1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][=C][Ring2][Ring1][Branch1] | S4(=O)(=O)c1ccc2c(c1)oc(=O)n2C.Cc1ccc5cc1.N45 |
13537 | Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][Ring1][#Branch1][C] | S3(=O)(=O)c1ccc2c(c1)oc(=O)n2C.Cc1cccc(C)c14.N34 |
13538 | Cc1cccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] | S4(=O)(=O)c1ccc2c(c1)oc(=O)n2C.Cc1cccc5c1.N45 |
13539 | Cc1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1] | S4(=O)(=O)c1ccc2c(c1)oc(=O)n2C.Cc1ccc5c(C)c1.N45 |
13540 | COc1ccccc1C=CC1NC(=O)NC(C)=C1C(=O)OC(C)C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][Branch1][C][C][C] | C=5C1NC(=O)NC(C)=C1C2=O.c14ccccc1C=5.C3(C)C.CO4.O23 |
13541 | CNS(=O)(=O)c1ccc2c(O)cc(S(=O)(=O)NC)cc2c1 | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][O][=C][C][Branch1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Ring1][N][=C][Ring1][S] | S3(=O)(=O)c1ccc2c(O)cc(S4(=O)=O)cc2c1.CN3.N4C |
13542 | Cc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2N)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][O][N][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc5cc1.c16nnc7n1N.c17cccnc1.C5(=O)C4.S46 |
13547 | COC(=O)COc1nc(C)nc2c1sc1nc(C)cc(C)c12 | [C][O][C][=Branch1][C][=O][C][O][C][=N][C][Branch1][C][C][=N][C][=C][Ring1][#Branch1][S][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][Ring1][O] | c15nc(C)nc2c1sc1nc(C)cc(C)c12.C3(=O)C4.CO3.O45 |
13548 | Nc1ncnc2[nH]c(SCc3ccc(Cl)cc3)nc12 | [N][C][=N][C][=N][C][NH1][C][Branch1][=C][S][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][Ring2][Ring1][C][=Ring1][=C] | Nc1ncnc2[nH]c6nc12.c15ccc(Cl)cc1.S46.C45 |
13549 | C=CCn1c(N)cc(=O)nc1SCC(=O)Nc1cc(C)ccn1 | [C][=C][C][N][C][Branch1][C][N][=C][C][=Branch1][C][=O][N][=C][Ring1][Branch2][S][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=N][Ring1][#Branch1] | n15c(N)cc(=O)nc16.c14cc(C)ccn1.C3C2=O.C=CC5.S36.N24 |
13550 | C=CCn1c(N)cc(=O)nc1SCC(=O)NC(C)c1ccccc1 | [C][=C][C][N][C][Branch1][C][N][=C][C][=Branch1][C][=O][N][=C][Ring1][Branch2][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15c(N)cc(=O)nc17.c16ccccc1.C4C2=O.C=CC5.C36C.S47.N23 |
13551 | O=C(Nc1ccc2c(c1)OCO2)N1CCOCC1 | [O][=C][Branch1][P][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c15ccc2c(c1)OCO2.N14CCOCC1.O=C34.N35 |
13552 | O=C(Nc1ccc2c(c1)OCCO2)N1CCOCC1 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c15ccc2c(c1)OCCO2.N14CCOCC1.O=C34.N35 |
13553 | COc1ccc(CCNC(=O)N2CCOCC2)cc1OC | [C][O][C][=C][C][=C][Branch1][S][C][C][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][P][O][C] | c15ccc8cc16.N14CCOCC1.C8C7.C34=O.CO5.N37.O6C |
13554 | COc1ccc(NC(=O)N2CCOCC2)cc1OC | [C][O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][O][C] | c15ccc7cc16.N14CCOCC1.C34=O.CO5.N37.O6C |
13555 | COc1cc(OC)c(NC(=O)N2CCOCC2)cc1Cl | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][P][Cl] | c15cc6c7cc1Cl.N14CCOCC1.C34=O.CO5.O6C.N37 |
13557 | CNc1nc(C)c(C(=O)OCc2ccccc2)s1 | [C][N][C][=N][C][Branch1][C][C][=C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][S] | c15nc(C)c6s1.c17ccccc1.C36=O.CN5.O34.C47 |
13558 | Cc1ccc(NC(=O)C2CC(=O)OC23CCOC(C)(C)C3)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][C][=C][Ring2][Ring1][=Branch1] | C16CC(=O)OC12CCOC(C)(C)C2.Cc1ccc5cc1.C46=O.N45 |
13559 | COc1cccc(NC(=O)C2CC(=O)OC23CCOC(C)(C)C3)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][=C][Ring2][Ring1][=Branch1] | C17CC(=O)OC12CCOC(C)(C)C2.c15cccc6c1.C47=O.CO5.N46 |
13560 | COc1ccc(NC(=O)C2CC(=O)OC23CCOC(C)(C)C3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][C][=C][Ring2][Ring1][=Branch1] | C17CC(=O)OC12CCOC(C)(C)C2.c15ccc6cc1.C47=O.CO5.N46 |
13561 | Cc1ccccc1NC(=O)C1CC(=O)OC12CCOC(C)(C)C2 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2] | C15CC(=O)OC12CCOC(C)(C)C2.Cc1ccccc14.C35=O.N34 |
13562 | CCCN(CCC)C(=O)C1CC(=O)OC12CCOC(C)(C)C2 | [C][C][C][N][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2] | C16CC(=O)OC12CCOC(C)(C)C2.CCC4.N345.C5CC.C36=O |
13563 | COc1ccccc1NC(=O)C1CC(=O)OC12CCOC(C)(C)C2 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2] | C16CC(=O)OC12CCOC(C)(C)C2.c14ccccc15.C36=O.CO4.N35 |
13564 | Cc1cc(C)cc(OCC(=O)Nc2nc(C)cc(C)n2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][=C][Ring2][Ring1][Ring2] | Cc1cc5cc(C)c1.c16nc(C)cc(C)n1.C4C3=O.O45.N36 |
13565 | CC1(C)CC2(CCO1)OC(=O)CC2C(=O)NCCc1ccccc1 | [C][C][Branch1][C][C][C][C][Branch1][=Branch1][C][C][O][Ring1][#Branch1][O][C][=Branch1][C][=O][C][C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | CC1(C)CC2(CCO1)OC(=O)CC25.c16ccccc1.C35=O.C4C6.N34 |
13566 | CC(C)(C)NC(=O)C1CC(=O)OC12CCOC(C)(C)C2 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2] | C15CC(=O)OC12CCOC(C)(C)C2.CC4(C)C.C35=O.N34 |
13567 | O=S(=O)(N1CCCCC1)N(CCO)Cc1ccccc1 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][N][Branch1][Ring2][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=S(=O)(N23)N1CCCCC1.c14ccccc1.C2CO.C34 |
13569 | OCc1cn(-c2ccccc2)nc1-c1cccc(Br)c1 | [O][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c13cn4nc15.c15cccc(Br)c1.c14ccccc1.OC3 |
13570 | COc1ccc2c(c1OC)C(=O)N(c1cccc(C)c1)C2 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Ring1][S] | c13ccc2c(c14)C(=O)N5C2.c15cccc(C)c1.CO3.O4C |
13571 | CC(=O)Oc1ccc2nc(-c3ccccc3F)oc(=O)c2c1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][O][C][=Branch1][C][=O][C][Ring1][=C][=C][Ring2][Ring1][C] | c15ccc2nc6oc(=O)c2c1.c16ccccc1F.CC4=O.O45 |
13572 | COc1cc(NC(=O)c2c(C)cc3ccccn23)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][C][=C][C][=C][N][Ring1][#Branch2][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1][O][C] | c19c(C)cc2ccccn12.c15cc8cc6c17.C49=O.CO5.N48.O6C.O7C |
13573 | CC1(C)CC(=O)c2c(nn(-c3ccccc3)c2-c2cccnc2)C1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][C][=Branch2][Ring1][Branch2][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1] | CC1(C)CC(=O)c2c(nn4c25)C1.c14ccccc1.c15cccnc1 |
13574 | N#Cc1cc2c(nc1SCC(=O)N1CCCCC1)CCCC2 | [N][#C][C][=C][C][=C][Branch2][Ring1][Ring1][N][=C][Ring1][=Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][Ring2][Ring1][C] | N#Cc1cc2c(nc15)CCCC2.N13CCCCC1.C4C3=O.S45 |
13577 | Cc1nnc(SCCC(=O)Nc2ccc(F)cc2)s1 | [C][C][=N][N][=C][Branch2][Ring1][Ring2][S][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring2][Ring1][C] | c15ccc(F)cc1.Cc1nnc6s1.C4CC3=O.S46.N35 |
13578 | O=C(CSc1nnc2ccccn12)N1CCOCC1 | [O][=C][Branch1][S][C][S][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c15nnc2ccccn12.N13CCOCC1.O=C3C4.S45 |
13579 | Cc1cccc(NC(=O)CSc2nnc3ccccn23)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | c17nnc2ccccn12.Cc1cccc6c1.C4(=O)C5.N46.S57 |
13580 | Cc1cc2ccccc2n2c(SCC(=O)N3CCOCC3)nnc12 | [C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=N][N][=C][Ring2][Ring1][#Branch1][Ring1][#C] | Cc1cc2ccccc2n2c6nnc12.N14CCOCC1.C5C4=O.S56 |
13581 | Cc1cc2ccccc2n2c(SCC(N)=O)nnc12 | [C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][N][=C][Ring2][Ring1][C][Ring1][#Branch2] | Cc1cc2ccccc2n2c4nnc12.C3C(N)=O.S34 |
13582 | CCOC(=O)c1cc(-c2nnc(-c3ccccc3)o2)c(C)nc1C | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][=C][Branch1][C][C][N][=C][Ring2][Ring1][C][C] | c16cc7c(C)nc1C.c17nnc8o1.c18ccccc1.C46=O.CC5.O45 |
13584 | CC(=O)Nc1cccc(-c2cn3c(C)cccc3n2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][P][C][=C][N][C][Branch1][C][C][=C][C][=C][C][Ring1][#Branch1][=N][Ring1][#Branch2][=C][Ring1][S] | c16cn2c(C)cccc2n1.c15cccc6c1.CC4=O.N45 |
13585 | CCC(=O)Nc1cccc(-c2cn3c(C)cccc3n2)c1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][P][C][=C][N][C][Branch1][C][C][=C][C][=C][C][Ring1][#Branch1][=N][Ring1][#Branch2][=C][Ring1][S] | c16cn2c(C)cccc2n1.c15cccc6c1.CCC4=O.N45 |
13587 | CC1=CN2C(O)=NC(C(F)(F)F)(C(F)(F)F)N=C2C=C1 | [C][C][=C][N][C][Branch1][C][O][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#C][C][=C][Ring2][Ring1][Ring1] | CC1=CN2C(O)=NC34N=C2C=C1.C3(F)(F)F.C4(F)(F)F |
13588 | Cc1cccc2nc(-c3cccc(NC(=O)C(C)C)c3)cn12 | [C][C][=C][C][=C][C][=N][C][Branch2][Ring1][Branch1][C][=C][C][=C][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][Ring1][N][=C][N][Ring2][Ring1][Branch1][Ring1][P] | Cc1cccc2nc6cn12.c16cccc5c1.C4(=O)C(C)C.N45 |
13589 | CC(=O)Nc1cccc(-c2cn3cccc(C)c3n2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][P][C][=C][N][C][=C][C][=C][Branch1][C][C][C][Ring1][#Branch1][=N][Ring1][#Branch2][=C][Ring1][S] | c16cn2cccc(C)c2n1.c15cccc6c1.CC4=O.N45 |
13591 | CCC(=O)Nc1cccc(-c2cn3cccc(C)c3n2)c1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][P][C][=C][N][C][=C][C][=C][Branch1][C][C][C][Ring1][#Branch1][=N][Ring1][#Branch2][=C][Ring1][S] | c16cn2cccc(C)c2n1.c15cccc6c1.CCC4=O.N45 |
13592 | CC(=O)Nc1ccc(NCc2ccc3c(c2)OCO3)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring1][P] | c18ccc2c(c1)OCO2.c16ccc7cc1.CC4=O.N46.N57.C58 |
13593 | CN1C(=O)C(O)(C2OC(C)(C)CCC2=O)c2ccccc21 | [C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][S][C][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][Branch2][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | CN1C(=O)C(O)(C2OC(C)(C)CCC2=O)c2ccccc21 |
13594 | COc1ccc(Cn2c(=O)oc3ccccc32)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring1][P][O][C] | n16c(=O)oc2ccccc21.c14ccc7cc15.CO4.C67.O5C |
13595 | CC(C)N(C(=O)Cn1c(=O)oc2ccccc21)c1ccccc1 | [C][C][Branch1][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | n16c(=O)oc2ccccc21.c15ccccc1.C3(=O)C6.CC4C.N345 |
13596 | COc1ccccc1Cn1c(=O)oc2ccccc21 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | n14c(=O)oc2ccccc21.c13ccccc15.CO3.C45 |
13597 | CCOc1ccccc1Cn1c(=O)oc2ccccc21 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | n15c(=O)oc2ccccc21.c14ccccc16.CC3.O34.C56 |
13598 | COc1ccc(N(C(C)C(=O)N(C)C)S(C)(=O)=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][Branch1][=C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][C] | c13ccc6cc1.C4(C)C2=O.S5(C)(=O)=O.N456.N2(C)C.CO3 |
13599 | COc1ccccc1OCc1nc(-c2ccncc2)no1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O] | c14ccccc15.c16nc7no1.c17ccncc1.CO4.O35.C36 |
13600 | Cc1cc(C)nc(NC2=NCC(=O)N2c2ccc3c(c2)OCCO3)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][N][N][C][=N][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=N][Ring2][Ring1][Branch2] | c15ccc2c(c1)OCCO2.Cc1cc(C)nc4n1.N4C1=NCC(=O)N15 |
13601 | NC(=O)C1CCN(C(=O)CSc2nc3ccccc3o2)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][C][Ring2][Ring1][Ring1] | c17nc2ccccc2o1.C16CCN4CC1.C4(=O)C5.NC6=O.S57 |
13602 | NC(=O)C1CCN(C(=O)CSc2nc3ccccc3s2)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][C][Ring2][Ring1][Ring1] | c17nc2ccccc2s1.C16CCN4CC1.C4(=O)C5.NC6=O.S57 |
13603 | NC(=O)C1CCN(C(=O)CSc2nc3ccccc3[nH]2)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][Ring2][Ring1][Ring1] | c17nc2ccccc2[nH]1.C16CCN4CC1.C4(=O)C5.NC6=O.S57 |
13604 | CCN(CC)C(=O)N1CCN(C(=O)c2ccc(C)cn2)CC1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=N][Ring1][#Branch1][C][C][Ring1][#C] | N14CCN5CC1.c18ccc(C)cn1.N367.C34=O.C58=O.CC6.C7C |
13605 | COc1ccc(C)cc1Cn1c(S(C)(=O)=O)nc2ccccc21 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][N][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N] | n14c(S(C)(=O)=O)nc2ccccc21.c13ccc(C)cc15.CO3.C45 |
13606 | CCc1nc2sc3c(=O)n(N)cnc3c2c2c1COC(C)(C)C2 | [C][C][C][=N][C][S][C][C][=Branch1][C][=O][N][Branch1][C][N][C][=N][C][=Ring1][Branch2][C][=Ring1][O][C][=C][Ring1][#C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2] | c14nc2sc3c(=O)n(N)cnc3c2c2c1COC(C)(C)C2.CC4 |
13607 | CCNc1nc(Oc2ccc(=O)n(C)n2)nc(N(C)C)n1 | [C][C][N][C][=N][C][Branch1][S][O][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][N][=Ring1][Branch2][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring2][Ring1][C] | c16nc3nc7n1.c14ccc(=O)n(C)n1.N7(C)C.CC5.N56.O34 |
13608 | CC(O)c1nc2ccccc2n1CCOc1ccccc1 | [C][C][Branch1][C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16nc2ccccc2n15.c14ccccc1.CC6O.C5C3.O34 |
13609 | COc1cccc(NC(=O)C2Cc3ccccc3C(=O)O2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][O][=C][Ring2][Ring1][Ring2] | C17Cc2ccccc2C(=O)O1.c15cccc6c1.C47=O.CO5.N46 |
13610 | COc1ccc(NC(=O)C2Cc3ccccc3C(=O)O2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][O][C][=C][Ring2][Ring1][Ring2] | C17Cc2ccccc2C(=O)O1.c15ccc6cc1.C47=O.CO5.N46 |
13611 | Cc1ccc(NC(=O)C2Cc3ccccc3C(=O)O2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][O][C][=C][Ring2][Ring1][Ring2][C] | C16Cc2ccccc2C(=O)O1.Cc1ccc5cc1C.C46=O.N45 |
13612 | CCc1ccc(NC(=O)C2Cc3ccccc3C(=O)O2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring1][O][C][=C][Ring2][Ring1][Ring2] | C16Cc2ccccc2C(=O)O1.c17ccc5cc1.C46=O.CC7.N45 |
13613 | c1ccc(NCc2nc(-c3ccccc3)no2)cc1 | [C][=C][C][=C][Branch2][Ring1][Ring2][N][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring2][Ring1][Ring1] | c1ccc5cc1.c16nc7no1.c17ccccc1.N45.C46 |
13614 | COc1cccc(NCc2nc(-c3ccccc3)no2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O][=C][Ring2][Ring1][Ring1] | c14cccc6c1.c17nc8no1.c18ccccc1.CO4.N56.C57 |
13619 | O=C(Cn1c(=O)oc2ccccc21)Nc1ccc(Br)cc1 | [O][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | n15c(=O)oc2ccccc21.c14ccc(Br)cc1.O=C3C5.N34 |
13620 | O=C(Cn1c(=O)oc2ccccc21)Nc1ccc2c3c(cccc13)CC2 | [O][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][C][=C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring1][=Branch2] | c15ccc2c3c(cccc13)CC2.n16c(=O)oc2ccccc21.O=C4C6.N45 |
13621 | COc1ccc(NC(=O)Cn2c(=O)sc3ccccc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] | n17c(=O)sc2ccccc21.c15ccc6cc1.C4(=O)C7.CO5.N46 |
13624 | CC(=O)Nc1ccc(Oc2c(F)c(F)nc(F)c2F)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][=C][Branch1][C][F][C][Branch1][C][F][=N][C][Branch1][C][F][=C][Ring1][=Branch2][F][C][=C][Ring1][P] | c15c(F)c(F)nc(F)c1F.c16ccc4cc1.CC3=O.N36.O45 |
13625 | COc1ccc(C2Oc3ccccc3N2C(C)=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][Branch1][C][C][=O][C][=C][Ring2][Ring1][C] | C16Oc2ccccc2N14.c15ccc6cc1.C4(C)=O.CO5 |
13626 | COC(=O)C1C2C=CC3(CN(CC(C)C)C(=O)C13)O2 | [C][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch2][Ring1][Ring2][C][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][Ring1][=C][Ring1][#Branch2][O][Ring1][=C] | C15C2C=CC3(CN6C(=O)C13)O2.C6C(C)C.C45=O.CO4 |
13627 | CC(C)COC(=O)C1C2C=CC3(CN(CC(C)C)C(=O)C13)O2 | [C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch2][Ring1][Ring2][C][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][Ring1][=C][Ring1][#Branch2][O][Ring1][=C] | C16C2C=CC3(CN7C(=O)C13)O2.CC(C)C5.C7C(C)C.C46=O.O45 |
13628 | COC(=O)C1C2C=CC3(CN(Cc4ccccc4)C(=O)C13)O2 | [C][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch2][Ring1][#Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][P][Ring1][=N][O][Ring1][P] | C16C2C=CC3(CN7C(=O)C13)O2.c18ccccc1.C56=O.CO5.C78 |
13629 | CC(C)COC(=O)C1C2C=CC3(CN(Cc4ccccc4)C(=O)C13)O2 | [C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch2][Ring1][#Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][P][Ring1][=N][O][Ring1][P] | C17C2C=CC3(CN8C(=O)C13)O2.c19ccccc1.CC(C)C6.C57=O.O56.C89 |
13630 | COC(=O)C1C2C=CC3(CN(c4cccc(C)c4)C(=O)C13)O2 | [C][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch2][Ring1][=Branch2][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring1][P][Ring1][=N][O][Ring1][P] | C16C2C=CC3(CN7C(=O)C13)O2.c17cccc(C)c1.C56=O.CO5 |
13631 | COC(=O)C1C2C=CC3(CN(C(C)c4ccccc4)C(=O)C13)O2 | [C][O][C][=Branch1][C][=O][C][C][C][=C][C][Branch2][Ring1][O][C][N][Branch1][=N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][C][Ring1][=C][O][Ring2][Ring1][C] | C16C2C=CC3(CN7C(=O)C13)O2.c18ccccc1.C56=O.C78C.CO5 |
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