ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
37711 | CCOc1ccccc1NC(=O)NC1CCCc2ccccc21 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | N4C1CCCc2ccccc21.c16ccccc17.C34=O.CC5.O56.N37 |
37712 | COc1ccc(NC(=O)Nc2cc(C)ccn2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=N][Ring1][#Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1] | c15ccc8c6c1.c17cc(C)ccn1.C34=O.CO5.N38.N47.O6C |
37713 | COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(C)C | [C][O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][C][Branch1][C][C][C] | c13ccc(S4(=O)=O)cc15.N14CCOCC1.C5(C)C.CO3 |
37714 | Cc1ccc(CNC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc8cc1.c17ccccc16.S5(C)(=O)=O.C37=O.N56C.C48.N34 |
37715 | CCn1ccc(CNC(=O)Nc2cccc(C(F)(F)F)c2)n1 | [C][C][N][C][=C][C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][Ring2][Ring1][Ring2] | c16cccc9c1.n17ccc8n1.C9(F)(F)F.C34=O.CC7.C58.N35.N46 |
37716 | COc1ccccc1C(=O)n1nc(-c2cccnc2)nc1N | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=C][Ring1][O][N] | C4(=O)n1nc5nc1N.c13ccccc14.c15cccnc1.CO3 |
37717 | COC(=O)c1ccc(NC(=O)C(OC)c2ccccc2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c17ccc6cc1.c18ccccc1.C4(=O)C58.C37=O.CO3.N46.O5C |
37718 | COc1ccc(NC(=O)Nc2ncccc2C)cc1OC | [C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][P][O][C] | c15ccc8cc16.c17ncccc1C.C34=O.CO5.N38.N47.O6C |
37720 | O=C1CC(C(=O)Nc2ccc(Br)cc2)C2(CCCC2)O1 | [O][=C][C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][O][Ring2][Ring1][Ring1] | O=C1CC5C2(CCCC2)O1.c14ccc(Br)cc1.C35=O.N34 |
37721 | O=C(CN1C(=O)CSc2ccccc21)N1CCc2ccccc21 | [O][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | O=C3CN1C(=O)CSc2ccccc21.N13CCc2ccccc21 |
37722 | O=C(NCc1ccccn1)Nc1ccccc1C(F)(F)F | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | c15ccccc17.c16ccccn1.C7(F)(F)F.O=C23.N24.C46.N35 |
37723 | COc1ccc(C(=O)n2nc(-c3cccnc3)nc2N)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][=C][Ring1][O][N][C][=C][Ring2][Ring1][Ring2] | C5(=O)n1nc6nc1N.c14ccc5cc1.c16cccnc1.CO4 |
37725 | Cc1c(NC(=O)N2CCCC2)c(=O)n(-c2ccccc2)n1C | [C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring2][C] | Cc1c5c(=O)n6n1C.c16ccccc1.N14CCCC1.C34=O.N35 |
37726 | COc1ccc(NC(=O)NCc2cc(C)n(C)n2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C][C][=C][Branch1][C][C][N][Branch1][C][C][N][=Ring1][#Branch1][C][=C][Ring2][Ring1][C][O][C] | c15ccc8cc16.c19cc(C)n(C)n1.C34=O.CO5.N38.N47.C79.O6C |
37727 | Cc1cc(NC(=O)Nc2ccc(F)c(Cl)c2)no1 | [C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][O][Ring1][P] | c16ccc(F)c(Cl)c1.Cc1cc5no1.C34=O.N35.N46 |
37728 | CC(Sc1ccccn1)C(=O)Nc1cccc(Cl)c1 | [C][C][Branch1][#Branch2][S][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c14cccc(Cl)c1.c15ccccn1.CC3C2=O.S35.N24 |
37729 | Cc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][=C][Ring2][Ring1][C] | Cc1ccc(S3(=O)=O)cc1.c14c(F)cccc1F.N34 |
37730 | CSc1ccccc1NC(=O)C1COc2ccccc2O1 | [C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.c16ccccc14.C35=O.CS6.N34 |
37731 | CCOc1ccc(NC(=O)NCc2ccccc2OC)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring2][Ring1][Ring1] | c16ccc9cc1.c1%10ccccc17.C34=O.CC5.O56.N39.N48.C8%10.O7C |
37732 | COc1ccc(OC)c(NC(=O)N2C(C)CCCC2C)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c15ccc6c7c1.N14C(C)CCCC1C.C34=O.CO5.O6C.N37 |
37733 | O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2ncccn2)CC1 | [O][=C][Branch1][P][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] | c16ccc2c(c1)OCO2.N14CCN5CC1.c15ncccn1.O=C34.N36 |
37734 | Cc1ccc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][#C][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1] | N14CCN(S(=O)(=O)N2CCOCC2)CC1.Cc1ccc4c(C)c1 |
37735 | COC(=O)c1ccc(OCC(=O)Nc2ccccc2F)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][C] | c18ccc6cc1.c17ccccc1F.C5C4=O.C38=O.CO3.O56.N47 |
37736 | COc1ccc(C(C)NC(=O)Nc2ccc3c(c2)OCO3)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][O][C] | c19ccc2c(c1)OCO2.c16ccc%10cc17.C8%10C.C45=O.CO6.N48.N59.O7C |
37737 | CCSc1ccccc1C(=O)N1CCc2ccccc2C1 | [C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N13CCc2ccccc2C1.c16ccccc15.C35=O.CC4.S46 |
37738 | COc1ccc(NC(=O)C(NC(=O)c2ccccc2)C(C)C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][=C][Ring2][Ring1][=Branch1] | c15ccc7cc1.C3(=O)C6C(C)C.c18ccccc1.C48=O.CO5.N37.N46 |
37740 | O=C(Nc1ccc2c(c1)OCO2)Nc1cnccn1 | [O][=C][Branch1][P][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][=C][N][=C][C][=N][Ring1][=Branch1] | c16ccc2c(c1)OCO2.c15cnccn1.O=C34.N36.N45 |
37741 | COc1ccc(C)cc1NC(=O)N1CCN(S(C)(=O)=O)CC1 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2] | c14ccc(C)cc16.N13CCN5CC1.S5(C)(=O)=O.C23=O.CO4.N26 |
37743 | Cc1ccc(F)c(NC(=O)CN2C(=O)CSc3ccccc32)c1 | [C][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][=C][Ring2][Ring1][=Branch1] | C4(=O)CN1C(=O)CSc2ccccc21.Cc1ccc(F)c5c1.N45 |
37744 | O=C(Nc1cccnc1)Nc1ccc(F)c(Cl)c1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] | c15ccc(F)c(Cl)c1.c14cccnc1.O=C23.N24.N35 |
37745 | CC(NS(=O)(=O)c1ccccc1)C(=O)NC1CCCC1 | [C][C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1] | S4(=O)(=O)c1ccccc1.CC3C2=O.C15CCCC1.N34.N25 |
37746 | C=CCN(CC=C)C(=O)Nc1ccc(OC)c(OC)c1 | [C][=C][C][N][Branch1][Ring2][C][C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | c18ccc4c5c1.C=CC6.N267.C7C=C.C23=O.N38.O4C.O5C |
37747 | COc1ccc(S(=O)(=O)NCCC(C)C)cc1Br | [C][O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][=C][Ring1][#C][Br] | c12ccc(S4(=O)=O)cc1Br.C3CC(C)C.CO2.N34 |
37748 | COc1ccc(OC)c(NC(=O)Nc2ccc(C)cn2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][Ring1] | c15ccc6c8c1.c17ccc(C)cn1.C34=O.CO5.O6C.N38.N47 |
37749 | Nc1nc(-c2cccnc2)nn1C(=O)c1ccco1 | [N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][N][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | Nc1nc4nn1C3=O.c14cccnc1.c13ccco1 |
37750 | COCC(=O)Nc1ccccc1C(=O)NC(C)C | [C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C] | c16ccccc17.C4C2=O.C37=O.C5(C)C.CO4.N26.N35 |
37751 | Cc1nn(C)c(C)c1CN(C)C(=O)Nc1ccc(F)c(Cl)c1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] | Cc1nn(C)c(C)c16.c15ccc(F)c(Cl)c1.N24C.C23=O.C46.N35 |
37752 | Cc1cc(C)nc(NC(=O)Nc2ccccc2C(F)(F)F)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=N][Ring2][Ring1][Branch1] | Cc1cc(C)nc5n1.c16ccccc17.C7(F)(F)F.C34=O.N35.N46 |
37753 | COc1ccc(NC(=O)NCc2cnn(C)c2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][=C][Ring2][Ring1][C] | c15ccc7cc1.c18cnn(C)c1C.C34=O.CO5.N37.N46.C68 |
37754 | CCN(CC)C(=O)Cn1nnc(-c2ccc(OC)cc2)n1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=N][Ring1][=N] | c18ccc4cc1.n17nnc8n1.C3(=O)C7.N356.CC5.C6C.O4C |
37755 | COc1cc2c(cc1OC)C(c1cc(C)ccc1C)CC(=O)N2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][=N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][Ring2][Ring1][Ring1] | c13cc2c(cc14)C(c1cc(C)ccc1C)CC(=O)N2.CO3.O4C |
37756 | COc1ccc(NC(=O)n2cc(C)cn2)cc1OC | [C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=N][Ring1][=Branch1][C][=C][Ring1][#C][O][C] | c14ccc6cc15.C3(=O)n1cc(C)cn1.CO4.N36.O5C |
37757 | Cc1ccc(N2CCN(C(=O)N3CCCC3)CC2)cc1Cl | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][Ring1][Cl] | Cc1ccc6cc1Cl.N16CCN4CC1.N15CCCC1.C45=O |
37758 | Cn1nc(C(=O)NCC2CCCO2)c2ccccc2c1=O | [C][N][N][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=O] | Cn1nc5c2ccccc2c1=O.C16CCCO1.C35=O.N34.C46 |
37759 | CCSc1ccccc1C(=O)N1CCN(c2ccccc2F)CC1 | [C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=N] | c17ccccc16.N13CCN5CC1.c15ccccc1F.C36=O.CC4.S47 |
37760 | COc1cc(NS(=O)(=O)c2ccccc2)ccc1Cl | [C][O][C][=C][C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][S][Cl] | S4(=O)(=O)c1ccccc1.c13cc5ccc1Cl.CO3.N45 |
37762 | Cn1c(=O)n(CC(=O)Nc2ccc(F)cc2)c2ccccc21 | [C][N][C][=Branch1][C][=O][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | Cn1c(=O)n5c2ccccc21.c14ccc(F)cc1.C5C3=O.N34 |
37765 | COc1cc2c(cc1OC)C(c1ccc(SC)cc1)CC(=O)N2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2][C][C][=Branch1][C][=O][N][Ring2][Ring1][Ring1] | c13cc2c(cc14)C(c1ccc5cc1)CC(=O)N2.CO3.O4C.S5C |
37767 | COc1ccc(CNC(=O)Nc2ccc(OC)cc2OC)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][C][=C][Ring2][Ring1][Branch1] | c19ccc6cc17.c15ccc%10cc1.C34=O.CO5.C8%10.N38.N49.O6C.O7C |
37768 | COC(=O)c1sccc1NC(=O)Nc1ccc(OC)c(OC)c1 | [C][O][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | c18ccc5c6c1.c19sccc17.C29=O.C34=O.CO2.N37.N48.O5C.O6C |
37769 | COc1ccc(NC(=O)NC(C)c2ccncc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][O][C] | c15ccc8cc16.c19ccncc1.C34=O.C79C.CO5.N38.N47.O6C |
37770 | CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC1CCCCC1 | [C][C][=Branch1][C][=O][N][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1] | c17c[nH]c2ccccc12.C5(C7)C4=O.C16CCCCC1.CC3=O.N35.N46 |
37771 | CCOc1ccccc1C1CC(=O)Nc2cc(OC)c(OC)cc21 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][Ring1][#C] | c14ccccc1C1CC(=O)Nc2cc5c6cc21.CC3.O34.O5C.O6C |
37772 | O=C(Nc1ccc2c(c1)OCO2)N1CCN(C(=O)c2ccco2)CC1 | [O][=C][Branch1][P][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][=N] | c16ccc2c(c1)OCO2.N14CCN5CC1.c17ccco1.O=C34.C57=O.N36 |
37774 | Cc1ccc(CNC(=O)c2ccc(C#CC(C)(C)O)s2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][#C][C][Branch1][C][C][Branch1][C][C][O][S][Ring1][O][C][=C][Ring2][Ring1][Branch1] | c15ccc(C#CC(C)(C)O)s1.Cc1ccc6cc1.C35=O.C46.N34 |
37776 | COc1ccc(Cl)cc1NC(=O)n1cc(C)cn1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][=C][Branch1][C][C][C][=N][Ring1][=Branch1] | c13ccc(Cl)cc14.C2(=O)n1cc(C)cn1.CO3.N24 |
37777 | COc1ccc(NC(=O)Nc2ccn(C)n2)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][N][C][C][=C][N][Branch1][C][C][N][=Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C] | c15ccc8c6c1.c17ccn(C)n1.C34=O.CO5.N38.N47.O6C |
37779 | C=CCN(CC=C)C(=O)Nc1cccc(C(C)=O)c1 | [C][=C][C][N][Branch1][Ring2][C][C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][=Branch2] | c16cccc7c1.C=CC4.N245.C5C=C.C23=O.C7(C)=O.N36 |
37780 | CCSc1ccccc1C(=O)N1CCCCCC1 | [C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1] | c15ccccc14.N12CCCCCC1.C24=O.CC3.S35 |
37783 | Nc1nc(-c2cccnc2)nn1C(=O)c1ccc(F)cc1 | [N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][N][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Nc1nc4nn1C3=O.c13ccc(F)cc1.c14cccnc1 |
37784 | O=C(CCC(=O)c1ccc(Br)cc1)Nc1cccnc1 | [O][=C][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | O=C2CCC4=O.c14ccc(Br)cc1.c13cccnc1.N23 |
37785 | CC(C)C(NC(=O)c1ccccc1)C(=O)NCc1ccccn1 | [C][C][Branch1][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | CC(C)C4C3=O.c16ccccc1.c17ccccn1.C26=O.N24.N35.C57 |
37786 | COc1cc(C)c(Cl)cc1S(=O)(=O)N1CC(C)OC(C)C1 | [C][O][C][=C][C][Branch1][C][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2] | c12cc(C)c(Cl)cc1S3(=O)=O.N13CC(C)OC(C)C1.CO2 |
37787 | COc1ccc(NC(=O)NC2CCCc3ccccc32)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2][O][C] | N5C1CCCc2ccccc21.c16ccc8cc17.C45=O.CO6.N48.O7C |
37792 | CCOc1ccccc1NC(=O)Nc1ncccc1C | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Ring1][=Branch1][C] | c15ccccc17.c16ncccc1C.C23=O.CC4.O45.N27.N36 |
37794 | Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1ccccc1 | [C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S3(=O)(=O)c1ccccc1.Cc1nn5c(C)c14.c15ccccc1.N34 |
37795 | COc1cc(Br)ccc1NS(=O)(=O)c1ccccc1 | [C][O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S3(=O)(=O)c1ccccc1.c12cc(Br)ccc14.CO2.N34 |
37796 | CSc1ccccc1NC(=O)Cn1nnc(-c2ccccc2F)n1 | [C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring1][N] | c16ccccc14.c17ccccc1F.n15nnc7n1.C3(=O)C5.CS6.N34 |
37797 | CC(=O)Nc1ccc(-c2csc(Nc3ncccn3)n2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][S][C][Branch1][#Branch2][N][C][=N][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][N][C][=C][Ring2][Ring1][C] | c17ccc8cc1.c18csc5n1.c16ncccn1.CC4=O.N47.N56 |
37798 | Cc1cccc(Nc2nc(-c3sc(C)nc3C)cs2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=N][C][Branch1][N][C][S][C][Branch1][C][C][=N][C][=Ring1][=Branch1][C][=C][S][Ring1][N][=N][Ring2][Ring1][Ring1] | Cc1cccc4n1.c16sc(C)nc1C.c15nc6cs1.N45 |
37801 | O=C1CC(c2ccccc2)Cc2nc(NCc3ccco3)ncc21 | [O][=C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=N][C][=C][Ring1][=N][Ring2][Ring1][#Branch1] | O=C1CC7Cc2nc5ncc21.c17ccccc1.c16ccco1.N45.C46 |
37802 | COc1cc2c(cc1OC)C(c1cccc(C)c1)CC(=O)N2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][Ring2][Ring1][C] | c13cc2c(cc14)C(c1cccc(C)c1)CC(=O)N2.CO3.O4C |
37804 | Cc1cccc(Nc2nc(-c3ccccn3)cs2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][S][Ring1][O][=N][Ring2][Ring1][C] | Cc1cccc4n1.c15nc6cs1.c16ccccn1.N45 |
37805 | Cc1cc(O)ccc1Nc1nc(-c2ccccn2)cs1 | [C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][S][Ring1][O] | Cc1cc(O)ccc14.c13nc5cs1.c15ccccn1.N34 |
37807 | CCOc1ccc(S(=O)(=O)n2cc(-c3ccccc3)c(N)n2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=N][Ring1][N][C][=C][Ring2][Ring1][Branch1] | c15ccc(S(=O)(=O)n2cc6c(N)n2)cc1.c16ccccc1.CC4.O45 |
37808 | CC(=O)Oc1ccc(-c2csc(Nc3ccccn3)n2)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][S][C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][N][C][=C][Ring2][Ring1][C] | c15ccc8cc1.c18csc6n1.c17ccccn1.CC4=O.O45.N67 |
37809 | CC(C)NC(=O)Cn1cc(C(=O)c2ccccc2)c2ccccc21 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] | n17cc5c2ccccc21.c16ccccc1.C3(=O)C7.CC4C.C56=O.N34 |
37810 | CCOC(=O)C1=C(C)NC(=O)C(C(N)=O)C12CCCC2 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring1][O][C][C][C][C][Ring1][Branch1] | C3(=O)C1=C(C)NC(=O)C5C12CCCC2.C5(N)=O.CC4.O34 |
37811 | Cc1ccc(C(=O)CSc2nnnn2-c2ccccc2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1][C] | Cc1ccc4cc1C.c16nnnn15.c15ccccc1.C4(=O)C3.S36 |
37813 | Cc1ccc2cccc(OCc3nnc(SCC(N)=O)n3C)c2n1 | [C][C][=C][C][=C][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][C][C][Ring2][Ring1][Ring1][=N][Ring2][Ring1][#Branch1] | Cc1ccc2cccc5c2n1.c17nnc8n1C.C6C(N)=O.O45.C47.S68 |
37814 | CC(c1ccccc1)n1cnc2ccccc2c1=O | [C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O] | n13cnc2ccccc2c1=O.c14ccccc1.CC34 |
37815 | c1ccc(-c2csc(Nc3cccnc3)n2)nc1 | [C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][S][C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][N][N][=C][Ring2][Ring1][C] | c1ccc6nc1.c16csc4n1.c15cccnc1.N45 |
37816 | COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][N] | c15ccc(S4(=O)=O)cc1.c13ccccc16.C26=O.N4(C)C.CO3.N25 |
37817 | Cc1nc2ccc(C(=O)Nc3ccc(F)cc3)cc2s1 | [C][C][=N][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][S][S][Ring2][Ring1][Ring1] | Cc1nc2ccc6cc2s1.c15ccc(F)cc1.C46=O.N45 |
37819 | COc1ccc(-c2csc(Nc3cccc(C)n3)n2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][S][C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring1][O][C] | c14ccc8cc15.c17cccc(C)n1.c18csc6n1.CO4.N67.O5C |
37820 | Cn1nnnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 | [C][N][N][=N][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2] | c14cc(Cl)cc(Cl)c1.Cn1nnnc15.C3C2=O.S35.N24 |
37821 | O=C(COc1ccccc1F)NCc1ccccc1 | [O][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc1F.c16ccccc1.O=C2C3.O34.N25.C56 |
37823 | Cn1nc(C(F)(F)C(F)F)cc1-c1ccccc1O | [C][N][N][=C][Branch1][=N][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][C][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O] | Cn1nc2cc13.c13ccccc1O.C2(F)(F)C(F)F |
37825 | Cc1c(C(=O)Nc2ccncc2)oc2c1C(=O)CC(C)(C)C2 | [C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][O][C][=C][Ring1][=C][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2] | Cc1c5oc2c1C(=O)CC(C)(C)C2.c14ccncc1.C35=O.N34 |
37826 | O=C(Cn1cnc2ccccc21)NCc1ccccc1 | [O][=C][Branch1][#C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15cnc2ccccc21.c16ccccc1.O=C3C5.N34.C46 |
37827 | COc1ccc(C(=O)Nc2ccc(C(=O)Nc3cccnc3)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][#C][C][=C][Ring2][Ring1][Branch2] | c16ccc9cc1.c17ccc%10cc1.c18cccnc1.C49=O.C5%10=O.CO6.N47.N58 |
37829 | CC(=O)Nc1ccc(-c2csc(NCc3ccco3)n2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][S][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=N][Ring1][N][C][=C][Ring2][Ring1][C] | c17ccc9cc1.c19csc6n1.c18ccco1.CC4=O.N47.N56.C58 |
37830 | CC(=O)Nc1ccc(-c2csc(Nc3cc(C)ccn3)n2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][S][C][Branch1][=N][N][C][=C][C][Branch1][C][C][=C][C][=N][Ring1][#Branch1][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring1] | c17ccc8cc1.c16cc(C)ccn1.c18csc5n1.CC4=O.N47.N56 |
37833 | Cc1ccccc1-c1nnn(CC(=O)Nc2ccc(F)cc2F)n1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=N][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][N][=Ring1][P] | c14ccc(F)cc1F.Cc1ccccc16.c16nnn5n1.C5C3=O.N34 |
37835 | CCOc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1OC | [C][C][O][C][=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][=C][Ring2][Ring1][Ring1][O][C] | c18ccc2c(c1)OCCO2.c16ccc9cc17.C49=O.CC5.O56.N48.O7C |
37836 | O=c1nc2ccc(F)cc2c(-c2ccccc2Cl)[nH]1 | [O][=C][N][=C][C][=C][C][Branch1][C][F][=C][C][Ring1][#Branch1][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][NH1][Ring2][Ring1][C] | O=c1nc2ccc(F)cc2c3[nH]1.c13ccccc1Cl |
37837 | CC(C)NC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C] | n17cc6c2ccccc21.C3(=O)C7.CC4C.C56=O.C15CC1.N34 |
37838 | Nn1c(COc2ccccc2)nnc1SC(F)F | [N][N][C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][=N][S][C][Branch1][C][F][F] | Nn1c5nnc16.c14ccccc1.S6C(F)F.C35.O34 |
37839 | O=C(COc1ccc(Br)cc1CO)Nc1ccccc1 | [O][=C][Branch1][S][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccc(Br)cc16.c15ccccc1.O=C2C3.O34.C6O.N25 |
37840 | O=C(Nc1ccccc1C(=O)N1CCOCC1)C1CCCO1 | [O][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][C][C][O][Ring1][Branch1] | c14ccccc16.N13CCOCC1.C15CCCO1.O=C25.C36=O.N24 |
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