ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
33596 | Clc1ccc(NCc2cccnc2)cc1Cl | [Cl][C][=C][C][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=C][Cl] | Clc1ccc4cc1Cl.c15cccnc1.N34.C35 |
33597 | COc1cc(NC(=O)c2cccc(F)c2)ccc1NC(=O)C(C)C | [C][O][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][C][=C][Ring1][S][N][C][=Branch1][C][=O][C][Branch1][C][C][C] | c15cc6ccc17.c18cccc(F)c1.C4(=O)C(C)C.C38=O.CO5.N36.N47 |
33599 | COc1ccc(OC(C)C(=O)Nc2cccc(C)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c15ccc6cc1.c17cccc(C)n1.C4(C)C3=O.CO5.O46.N37 |
33600 | COc1ccc(OC(C)C(=O)Nc2cccnc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c15ccc6cc1.c17cccnc1.C4(C)C3=O.CO5.O46.N37 |
33601 | COc1ccc(OC(C)C(=O)Nc2ccc(NC(C)=O)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][=Branch1] | c16ccc7cc1.c18ccc9cc1.C5(C)C3=O.C4(C)=O.CO6.O57.N38.N49 |
33604 | COc1ccc(OC(C)C(=O)Nc2ccc(F)cc2F)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][Ring2][Ring1][Ring2] | c17ccc(F)cc1F.c15ccc6cc1.C4(C)C3=O.CO5.O46.N37 |
33605 | COc1ccc(OC(C)C(=O)Nc2c(C)cc(C)cc2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][C][=C][Ring2][Ring1][Branch1] | c17c(C)cc(C)cc1C.c15ccc6cc1.C4(C)C3=O.CO5.O46.N37 |
33606 | COc1ccc(OC(C)C(=O)Nc2cc(OC)ccc2OC)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][C][=C][Ring2][Ring1][=Branch1] | c19cc7ccc18.c15ccc6cc1.C4(C)C3=O.CO5.O46.N39.O7C.O8C |
33607 | COc1ccc(OC(C)C(=O)Nc2cccc(F)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c15ccc6cc1.c17cccc(F)c1.C4(C)C3=O.CO5.O46.N37 |
33608 | COc1ccc(OC(C)C(=O)Nc2ccccc2OC)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring2][Ring1][Ring2] | c15ccc6cc1.c18ccccc17.C4(C)C3=O.CO5.O46.N38.O7C |
33609 | COc1ccc(OC(C)C(=O)N2CCOCC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][P] | c15ccc6cc1.N13CCOCC1.C4(C)C3=O.CO5.O46 |
33610 | COc1ccc(OC(C)C(=O)N2CCN(c3ccccc3)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring1][#Branch1] | c16ccc7cc1.N14CCN8CC1.c18ccccc1.C5(C)C4=O.CO6.O57 |
33611 | COc1ccc(CNC(=O)C(C)Oc2ccc(OC)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Branch1] | c15ccc9cc1.c16ccc7cc1.C3(=O)C4C.CO5.C89.N38.O46.O7C |
33612 | COc1ccc(OC(C)C(=O)Nc2cc(OC)cc(OC)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][=Branch1] | c19cc7cc8c1.c15ccc6cc1.C4(C)C3=O.CO5.O46.N39.O7C.O8C |
33613 | COc1ccc(OC(C)C(=O)Nc2ccc(OC)c(OC)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][=Branch1] | c19ccc7c8c1.c15ccc6cc1.C4(C)C3=O.CO5.O46.N39.O7C.O8C |
33615 | COc1ccc(OC(C)C(=O)NCc2ccc3c(c2)OCO3)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | c19ccc2c(c1)OCO2.c16ccc7cc1.C5(C)C4=O.CO6.O57.N48.C89 |
33616 | CCOC(=O)N1CCN(C(=O)C(C)Oc2ccc(OC)cc2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][Ring2][Ring1][Ring1] | N14CCN5CC1.c18ccc9cc1.C5(=O)C7C.C34=O.CC6.O36.O78.O9C |
33617 | COc1ccc(OC(C)C(=O)NCc2ccc(F)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] | c15ccc6cc1.c18ccc(F)cc1.C4(C)C3=O.CO5.O46.N37.C78 |
33618 | COc1ccc(OC(C)C(=O)NCc2ccc(C)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] | c15ccc6cc1.c18ccc(C)cc1.C4(C)C3=O.CO5.O46.N37.C78 |
33619 | COc1ccc(OC(C)C(=O)NCc2ccccc2OC)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring2][Ring1][Branch1] | c15ccc6cc1.c19ccccc17.C4(C)C3=O.CO5.O46.N38.C89.O7C |
33620 | COc1ccc(OC(C)C(=O)NC(C)(C)C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][S] | c14ccc5cc1.C3(C)C2=O.C6(C)(C)C.CO4.O35.N26 |
33621 | CCC(C)NC(=O)C(C)Oc1ccc(OC)cc1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | c14ccc5cc1.C2(=O)C3C.CCC6C.N26.O34.O5C |
33622 | COc1ccc(OC(C)C(=O)NCC(C)C)cc1 | [C][O][C][=C][C][=C][Branch1][P][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][=C][Ring1][S] | c14ccc5cc1.C3(C)C2=O.C6C(C)C.CO4.O35.N26 |
33623 | COc1ccc(OC(C)C(=O)NC2CCCC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][=C][Ring1][P] | c15ccc6cc1.C4(C)C3=O.C17CCCC1.CO5.O46.N37 |
33625 | COc1ccc(OC(C)C(=O)NCC2CCCO2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring2][Ring1][C] | c15ccc6cc1.C4(C)C3=O.C18CCCO1.CO5.O46.N37.C78 |
33627 | COc1ccc(OC(C)C(=O)Nc2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c15ccc6cc1.c17ccccc1.C4(C)C3=O.CO5.O46.N37 |
33628 | Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCc3ccccc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc(S6(=O)=O)cc1.N14CCc2ccccc21.C5C4=O.N56C |
33629 | CNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 | [C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(C)cc1.C2(=O)C3.N34C.CN2 |
33630 | Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccncc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | Cc1ccc(S5(=O)=O)cc1.c16ccncc1.C4C3=O.N45C.N36 |
33631 | Cc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][#Branch1] | S6(=O)(=O)c1ccc(C)cc1.Cc1ccc7cc1.C3(=O)C5.N56C.C47.N34 |
33632 | COc1ccc(OC(C)c2nc(-c3ccncc3)no2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][Branch1][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c15ccc6cc1.c17nc8no1.c18ccncc1.C47C.CO5.O46 |
33633 | COc1ccc(OC(C)c2nc(-c3cccnc3)no2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][Branch1][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c15ccc6cc1.c17nc8no1.c18cccnc1.C47C.CO5.O46 |
33634 | COc1ccc(OC(C)C(=O)N2CCc3ccccc3C2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1] | N14CCc2ccccc2C1.c16ccc7cc1.C5(C)C4=O.CO6.O57 |
33635 | COc1ccc(OC(C)C(=O)N2CCCCCC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c15ccc6cc1.N13CCCCCC1.C4(C)C3=O.CO5.O46 |
33636 | COc1ccc(OC(C)C(=O)Nc2c(C)cccc2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][C][=C][Ring2][Ring1][Ring2] | c17c(C)cccc1C.c15ccc6cc1.C4(C)C3=O.CO5.O46.N37 |
33637 | Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccnc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | Cc1ccc(S5(=O)=O)cc1.c16cccnc1.C4C3=O.N45C.N36 |
33639 | CCOC(=O)N1CCN(C(=O)c2ccc(C)cc2C)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][C][Ring1][S] | c17ccc(C)cc1C.N14CCN5CC1.C34=O.C57=O.CC6.O36 |
33641 | Cc1ccc(C(=O)N(C)Cc2ccccc2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][C] | Cc1ccc5c(C)c1.c16ccccc1.C35=O.N34C.C46 |
33642 | CCOC(=O)Cc1csc(NC(=O)c2ccc(C)cc2C)n1 | [C][C][O][C][=Branch1][C][=O][C][C][=C][S][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=N][Ring1][S] | c17ccc(C)cc1C.c18csc6n1.C3(=O)C8.C47=O.CC5.O35.N46 |
33643 | Cc1ccc(C(=O)Nc2nc(C)c(C)s2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][Branch1][C][C][S][Ring1][#Branch1][C][Branch1][C][C][=C][Ring1][P] | Cc1ccc5c(C)c1.c14nc(C)c(C)s1.C35=O.N34 |
33644 | Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc6c(C)c1.N14CCN5CC1.c15ccc(F)cc1.C46=O |
33645 | Cc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=N][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc6c(C)c1.N14CCN5CC1.c15ccccc1F.C46=O |
33646 | COc1ccc(CNC(=O)c2ccc(C)cc2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][=C][Ring2][Ring1][C] | c16ccc(C)cc1C.c14ccc7cc1.C36=O.CO4.C57.N35 |
33647 | COc1ccccc1CNC(=O)c1ccc(C)cc1C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C] | c15ccc(C)cc1C.c13ccccc16.C25=O.CO3.C46.N24 |
33649 | CCOC(=O)C1CCN(C(=O)c2ccc(C)cc2C)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][C][Ring1][S] | c17ccc(C)cc1C.C16CCN4CC1.C36=O.C47=O.CC5.O35 |
33650 | Cc1ccc(C(=O)N2CCC(C(N)=O)CC2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][C][Branch1][C][C][=C][Ring2][Ring1][C] | Cc1ccc5c(C)c1.N13CCC4CC1.C35=O.C4(N)=O |
33651 | COc1ccc(NC(=O)c2ccc(C)cc2C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][=C][Ring1][P][O][C] | c14ccc6cc15.c17ccc(C)cc1C.C37=O.CO4.N36.O5C |
33652 | Cc1ccc(C)c(C(=O)Nc2ccc3c(c2)OCCO3)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=C][Ring2][Ring1][Ring2] | c15ccc2c(c1)OCCO2.Cc1ccc(C)c6c1.C46=O.N45 |
33653 | Cc1ccc(-c2nc(-c3ccccn3)no2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][C][Branch1][C][C][=C][Ring2][Ring1][C] | Cc1ccc5c(C)c1.c15nc4no1.c14ccccn1 |
33654 | Cc1ccc(-c2nc(-c3ccncc3)no2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][C][Branch1][C][C][=C][Ring2][Ring1][C] | Cc1ccc4c(C)c1.c14nc5no1.c15ccncc1 |
33655 | Cc1ccc(-c2nc(-c3cccnc3)no2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O][C][Branch1][C][C][=C][Ring2][Ring1][C] | Cc1ccc4c(C)c1.c14nc5no1.c15cccnc1 |
33656 | Cc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][Branch1][C][C][=C][Ring2][Ring1][Ring1] | Cc1ccc5c(C)c1.c14ccc6cc1.C35=O.C6(N)=O.N34 |
33660 | Cc1ccc(C)c(-c2nc(-c3ccccn3)no2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][=C][Ring2][Ring1][C] | Cc1ccc(C)c5c1.c15nc4no1.c14ccccn1 |
33661 | Cc1ccc(C)c(-c2nc(-c3ccncc3)no2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][=C][Ring2][Ring1][C] | Cc1ccc(C)c4c1.c14nc5no1.c15ccncc1 |
33662 | Cc1ccc(C)c(-c2nc(-c3cccnc3)no2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O][=C][Ring2][Ring1][C] | Cc1ccc(C)c4c1.c14nc5no1.c15cccnc1 |
33663 | CC(C)(C)c1ccc(OCC(N)=O)c(Br)c1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][C][Branch1][C][Br][=C][Ring1][N] | c14ccc3c(Br)c1.CC4(C)C.C2C(N)=O.O23 |
33667 | Cc1ccc(C)c(C(=O)Nc2ccc(C(N)=O)cc2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][Ring1] | Cc1ccc(C)c5c1.c14ccc6cc1.C35=O.C6(N)=O.N34 |
33670 | Cc1ccc(C)c(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][=Branch1] | Cc1ccc(C)c6c1.N14CCN5CC1.c15ccc(F)cc1.C46=O |
33671 | Cc1ccc(C)c(C(=O)N2CCN(c3ccccc3F)CC2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=N][=C][Ring2][Ring1][=Branch1] | Cc1ccc(C)c6c1.N14CCN5CC1.c15ccccc1F.C46=O |
33673 | CCOC(=O)C1CCN(C(=O)c2cc(C)ccc2C)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][C][C][Ring1][S] | c17cc(C)ccc1C.C16CCN4CC1.C36=O.C47=O.CC5.O35 |
33674 | Cc1ccc(C)c(C(=O)N2CCC(C(N)=O)CC2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][=C][Ring2][Ring1][C] | Cc1ccc(C)c5c1.N13CCC4CC1.C35=O.C4(N)=O |
33675 | COc1ccc(NC(=O)c2cc(C)ccc2C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][C][=C][Ring1][P][O][C] | c14ccc6cc15.c17cc(C)ccc1C.C37=O.CO4.N36.O5C |
33678 | CCOC(=O)N1CCN(C(=O)c2cc(C)ccc2C)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][C][C][Ring1][S] | c17cc(C)ccc1C.N14CCN5CC1.C34=O.C57=O.CC6.O36 |
33679 | Cc1ccc(C)c(C(=O)N(C)Cc2ccccc2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C] | Cc1ccc(C)c5c1.c16ccccc1.C35=O.N34C.C46 |
33680 | CCn1nnnc1NC(=O)c1ccc2ccccc2c1 | [C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c15ccc2ccccc2c1.n16nnnc14.C35=O.CC6.N34 |
33681 | Cn1nnnc1NC(=O)c1ccc2ccccc2c1 | [C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c15ccc2ccccc2c1.Cn1nnnc14.C35=O.N34 |
33682 | CCn1nnnc1NC(=O)c1cc2ccccc2o1 | [C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] | c15cc2ccccc2o1.n16nnnc14.C35=O.CC6.N34 |
33683 | Cn1nnnc1NC(=O)c1cccc2c(Cl)cccc12 | [C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][O][Ring1][#Branch1] | c15cccc2c(Cl)cccc12.Cn1nnnc14.C35=O.N34 |
33684 | Cn1nnnc1NC(=O)c1cccc2ccccc12 | [C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c15cccc2ccccc12.Cn1nnnc14.C35=O.N34 |
33685 | COc1ccc(C(=O)Nc2nnnn2C)cc1Cl | [C][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=N][N][=N][N][Ring1][Branch1][C][C][=C][Ring1][#C][Cl] | c14ccc6cc1Cl.c15nnnn1C.C36=O.CO4.N35 |
33686 | CCn1nnnc1NC(=O)c1cc(OC)c(OC)c(OC)c1 | [C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N] | c17cc3c4c5c1.n18nnnc16.C27=O.CC8.N26.O3C.O4C.O5C |
33687 | COc1cc(C(=O)Nc2nnnn2C)cc(OC)c1OC | [C][O][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][P][O][C] | c14cc8cc5c16.c17nnnn1C.C38=O.CO4.N37.O5C.O6C |
33688 | CCn1nnnc1NC(=O)c1cc(Cl)c(OC)c(Cl)c1 | [C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][Ring1][O][C][C][Branch1][C][Cl][=C][Ring1][#Branch2] | c15cc(Cl)c3c(Cl)c1.n16nnnc14.C25=O.CC6.N24.O3C |
33689 | COc1ccc(C(=O)Nc2nnnn2C)cc1OC | [C][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=N][N][=N][N][Ring1][Branch1][C][C][=C][Ring1][#C][O][C] | c14ccc7cc15.c16nnnn1C.C37=O.CO4.N36.O5C |
33690 | CCOc1ccc(C(=O)Nc2nnnn2CC)cc1 | [C][C][O][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=N][N][=N][N][Ring1][Branch1][C][C][C][=C][Ring1][S] | c15ccc7cc1.c16nnnn18.C37=O.CC4.O45.N36.C8C |
33691 | Cc1ccccc1OCC(=O)Nc1ccc(Br)c(C)n1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][C][=N][Ring1][Branch2] | c15ccc(Br)c(C)n1.Cc1ccccc14.C3C2=O.O34.N25 |
33692 | Cc1nc(NC(=O)COc2ccccc2)ccc1Br | [C][C][=N][C][Branch1][S][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][P][Br] | Cc1nc6ccc1Br.c15ccccc1.C3(=O)C4.N36.O45 |
33693 | COc1ccc(C(=O)Nc2ccc(Br)c(C)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][C][=N][Ring1][Branch2][C][=C][Ring1][P] | c15ccc(Br)c(C)n1.c14ccc6cc1.C36=O.CO4.N35 |
33694 | Cc1nc(NC(=O)c2ccccc2)ccc1Br | [C][C][=N][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Br] | Cc1nc4ccc1Br.c15ccccc1.C35=O.N34 |
33696 | Cc1cc(C)n(C(=O)CCC(=O)Nc2ccccc2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][Ring1] | Cc1cc(C)n(C(=O)CCC3=O)n1.c14ccccc1.N34 |
33697 | O=C(CNC(=O)c1ccco1)OCc1cccc2ccccc12 | [O][=C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][O][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c18cccc2ccccc12.c17ccco1.O=C3C6.C47=O.N46.O35.C58 |
33698 | CSc1ncccc1C(=O)Nc1cccc(Br)c1 | [C][S][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c15ncccc14.c13cccc(Br)c1.C24=O.CS5.N23 |
33699 | Cc1nnc(SCC(=O)Nc2cccc(Br)c2)s1 | [C][C][=N][N][=C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][S][Ring1][P] | c15cccc(Br)c1.Cc1nnc6s1.C4C3=O.S46.N35 |
33700 | Cc1nnc(SCC(=O)Nc2c(Cl)cccc2Cl)s1 | [C][C][=N][N][=C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][S][Ring2][Ring1][C] | c15c(Cl)cccc1Cl.Cc1nnc6s1.C4C3=O.S46.N35 |
33702 | COc1cccc(NC(=O)c2cccnc2SC)c1 | [C][O][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][=C][Ring1][P] | c14cccc5c1.c16cccnc17.C36=O.CO4.N35.S7C |
33703 | COC(=O)c1ccc(NC(=O)c2cccnc2SC)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][C][=C][Ring1][P] | c16ccc5cc1.c17cccnc18.C36=O.C47=O.CO3.N45.S8C |
33704 | COc1ccc(Cl)cc1NC(=O)c1cccnc1SC | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C] | c13ccc(Cl)cc14.c15cccnc16.C25=O.CO3.N24.S6C |
33705 | CSc1ncccc1C(=O)Oc1ccc(NC(C)=O)cc1 | [C][S][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] | c17ncccc16.c14ccc5cc1.C26=O.C3(C)=O.CS7.O24.N35 |
33706 | CSc1ncccc1C(=O)Nc1ccccc1C(N)=O | [C][S][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O] | c16ncccc14.c13ccccc15.C24=O.C5(N)=O.CS6.N23 |
33707 | CSc1ncccc1C(=O)Nc1cc(C)cc(C)c1 | [C][S][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2] | c13cc(C)cc(C)c1.c15ncccc14.C24=O.CS5.N23 |
33709 | COC(=O)c1ccccc1NC(=O)c1cccnc1SC | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C] | c15ccccc14.c16cccnc17.C25=O.C36=O.CO2.N34.S7C |
33710 | CSc1ncccc1C(=O)Nc1ccc(F)cc1 | [C][S][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15ncccc14.c13ccc(F)cc1.C24=O.CS5.N23 |
33711 | CC(=O)c1cc2c(cc1NC(=O)CSc1ccc(C)cc1)OCO2 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][O][C][O][Ring2][Ring1][Ring1] | c16cc2c(cc15)OCO2.c17ccc(C)cc1.C3(=O)C4.CC6=O.N35.S47 |
33712 | CC(=O)c1cc2c(cc1NC(=O)Cc1ccc(F)cc1)OCO2 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][O][Ring2][Ring1][C] | c15cc2c(cc14)OCO2.c16ccc(F)cc1.C3(=O)C6.CC5=O.N34 |
33713 | CC(=O)c1cc2c(cc1NC(=O)c1ccccc1F)OCO2 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][O][C][O][Ring1][P] | c15cc2c(cc14)OCO2.c16ccccc1F.CC5=O.C36=O.N34 |
33714 | CC(=O)c1cc2c(cc1NC(=O)c1ccccc1)OCO2 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][O][Ring1][S] | c15cc2c(cc14)OCO2.c16ccccc1.CC5=O.C36=O.N34 |
33715 | COc1ccc(NC(=O)c2cccnc2SC)cc1 | [C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][C][=C][Ring1][P] | c14ccc5cc1.c16cccnc17.C36=O.CO4.N35.S7C |
33716 | CSc1ncccc1C(=O)Nc1ccccc1F | [C][S][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c15ncccc14.c13ccccc1F.C24=O.CS5.N23 |
33718 | Cc1ccc(NC(=O)CSc2nnc(C)s2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][=C][Ring1][P] | Cc1ccc5cc1.c16nnc(C)s1.C3(=O)C4.N35.S46 |
33719 | CSc1ncccc1C(=O)Nc1ccc(C)cc1 | [C][S][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c15ncccc14.c13ccc(C)cc1.C24=O.CS5.N23 |
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