ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
36686 | Cc1cccc(C)c1NC(=O)c1ccc2c(c1)OCO2 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.Cc1cccc(C)c14.C35=O.N34 |
36687 | Cc1cccc(NC(=O)c2ccc3c(c2)OCO3)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring2][Ring1][C] | c16ccc2c(c1)OCO2.Cc1cccc5c1.C46=O.N45 |
36688 | CCCC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c18ccc2c(c1)OCO2.c16ccc7cc1.CCCC4=O.C58=O.N46.N57 |
36689 | O=C(Nc1ccccc1OC(F)F)c1ccc2c(c1)OCO2 | [O][=C][Branch1][S][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][F][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c16ccc2c(c1)OCO2.c15ccccc14.O4C(F)F.O=C36.N35 |
36690 | CC(=O)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c17ccc2c(c1)OCO2.c16ccc5cc1.CC6=O.C47=O.N45 |
36691 | O=C(Nc1ccc(Br)cn1)c1ccc2c(c1)OCO2 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.c14ccc(Br)cn1.O=C35.N34 |
36692 | Cc1nc(NC(=O)c2ccc3c(c2)OCO3)ccc1Br | [C][C][=N][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][C][Br] | c16ccc2c(c1)OCO2.Cc1nc5ccc1Br.C46=O.N45 |
36693 | O=C(Nc1nc2ccc(F)cc2s1)c1ccc2c(c1)OCO2 | [O][=C][Branch2][Ring1][C][N][C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c14nc2ccc(F)cc2s1.c15ccc2c(c1)OCO2.O=C35.N34 |
36694 | CC(C)C(=O)Nc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c18ccc2c(c1)OCO2.c16ccc7cc1.CC(C)C4=O.C58=O.N46.N57 |
36695 | O=C(Nc1ccccc1N1CCCC1)c1ccc2c(c1)OCO2 | [O][=C][Branch1][P][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c16ccc2c(c1)OCO2.c14ccccc15.N15CCCC1.O=C36.N34 |
36698 | CCOC(=O)c1c(C)[nH]c(NC(=O)Nc2ccccn2)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][S][C] | c19c(C)[nH]c7c1C.c18ccccn1.C39=O.C45=O.CC6.O36.N47.N58 |
36699 | CCOC(=O)c1c(C)[nH]c(NC(=O)N2CCOCC2)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][Branch1][=C][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][#C][C] | c18c(C)[nH]c7c1C.N15CCOCC1.C38=O.C45=O.CC6.O36.N47 |
36700 | CCOC(=O)c1c(C)[nH]c(NC(=O)Nc2ccc(OC)cc2)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Ring2][Ring1][C][C] | c1%10c(C)[nH]c8c1C.c19ccc7cc1.C3%10=O.C45=O.CC6.O36.N48.N59.O7C |
36701 | CCOC(=O)c1c(C)[nH]c(NC(=O)Nc2cccc(OC)c2)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][=C][Ring2][Ring1][C][C] | c1%10c(C)[nH]c8c1C.c19cccc7c1.C3%10=O.C45=O.CC6.O36.N48.N59.O7C |
36702 | CCOC(=O)c1c(C)[nH]c(NC(=O)Nc2ccccc2OC)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][Branch1][P][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring2][Ring1][C][C] | c1%10c(C)[nH]c8c1C.c19ccccc17.C3%10=O.C45=O.CC6.O36.N48.N59.O7C |
36703 | CCOC(=O)c1c(C)[nH]c(NC(=O)Nc2ccccc2)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][C] | c19c(C)[nH]c7c1C.c18ccccc1.C39=O.C45=O.CC6.O36.N47.N58 |
36704 | CCOC(=O)c1c(C)[nH]c(NC(=O)Nc2ccc(F)cc2)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][P][C] | c19c(C)[nH]c7c1C.c18ccc(F)cc1.C39=O.C45=O.CC6.O36.N47.N58 |
36705 | CCOC(=O)c1c(C)[nH]c(NC(=O)N(CC)CC)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][Branch1][=N][N][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][=C][Ring1][=C][C] | c19c(C)[nH]c8c1C.C29=O.C34=O.N467.CC5.O25.N38.C6C.C7C |
36706 | CCOC(=O)c1c(C)[nH]c(NC(=O)OCc2ccccc2)c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][NH1][C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P][C] | c19c(C)[nH]c8c1C.c1%10ccccc1.C39=O.C45=O.CC6.O36.N58.O47.C7%10 |
36707 | CCOc1ccc(N(C(C)C(=O)N(C)C)S(C)(=O)=O)cc1 | [C][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] | c14ccc7cc1.C5(C)C2=O.S6(C)(=O)=O.N567.N2(C)C.CC3.O34 |
36708 | Cc1cccc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O][=C][Ring2][Ring1][=Branch1][C] | N16C(=O)c2ccccc2S1(=O)=O.Cc1cccc5c1C.C4(=O)C6.N45 |
36709 | O=C(CSc1ccccc1)N1CCN(c2ccccc2F)CC1 | [O][=C][Branch1][O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=N] | N13CCN5CC1.c15ccccc1F.c16ccccc1.O=C3C4.S46 |
36710 | CC(=O)Nc1ccc(S(=O)(=O)N2CCCOC2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][O][C][Ring1][=Branch1][C][=C][Ring1][#C] | c15ccc(S4(=O)=O)cc1.N14CCCOC1.CC3=O.N35 |
36711 | CCCn1nnc(NC(=O)COc2cc(C)cc(C)c2)n1 | [C][C][C][N][N][=N][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][=N][Ring2][Ring1][C] | c15cc(C)cc(C)c1.n17nnc6n1.C3(=O)C4.CCC7.N36.O45 |
36718 | CCCn1nnc(NC(=O)CSc2ccc(Cl)cc2)n1 | [C][C][C][N][N][=N][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][P] | c17ccc(Cl)cc1.n16nnc5n1.C3(=O)C4.CCC6.N35.S47 |
36719 | CCOC(=O)c1[nH]cnc1C(=O)Nc1ccc(F)cc1 | [C][C][O][C][=Branch1][C][=O][C][NH1][C][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15ccc(F)cc1.c16[nH]cnc17.C26=O.C37=O.CC4.O24.N35 |
36724 | Cc1cc(C)cc(OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][O][O][C][C][=Branch1][C][=O][N][C][S][C][=C][Branch1][=Branch2][C][=Ring1][Branch1][C][Branch1][C][N][=O][C][C][C][Ring1][=Branch2][=C][Ring2][Ring1][#Branch1] | c17sc2c(c18)CCC2.Cc1cc6cc(C)c1.C5C4=O.C8(N)=O.O56.N47 |
36726 | CCCn1nnc(NC(=O)COc2cc(C)c(Cl)c(C)c2)n1 | [C][C][C][N][N][=N][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][=Branch2][=N][Ring2][Ring1][Ring1] | c15cc(C)c(Cl)c(C)c1.n17nnc6n1.C3(=O)C4.CCC7.N36.O45 |
36727 | CCCn1nnc(NC(=O)COc2ccc(Cl)cc2Cl)n1 | [C][C][C][N][N][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][=N][Ring2][Ring1][C] | c15ccc(Cl)cc1Cl.n17nnc6n1.C3(=O)C4.CCC7.N36.O45 |
36728 | CCCC(=O)Nc1ccc(Cl)c(NC(=O)C(C)C)c1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][Ring1][=N] | c14ccc(Cl)c5c1.CCCC2=O.C3(=O)C(C)C.N24.N35 |
36729 | CCCC(=O)Nc1ccc(Cl)c(NC(C)=O)c1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][O] | c14ccc(Cl)c5c1.CCCC2=O.C3(C)=O.N24.N35 |
36730 | CCOc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1Cl | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][C][Cl] | c15ccc7cc1Cl.c16ccccc18.C37=O.C8(N)=O.CC4.O45.N36 |
36733 | CCCn1nnc(NC(=O)c2cccc(OC(C)CC)c2)n1 | [C][C][C][N][N][=N][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch2][O][C][Branch1][C][C][C][C][=C][Ring1][O][=N][Ring2][Ring1][Ring1] | c17cccc5c1.n18nnc6n1.C4(C)CC.CCC8.C37=O.N36.O45 |
36734 | CCCn1nnc(NC(=O)c2cccc(OC)c2)n1 | [C][C][C][N][N][=N][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][=N][Ring1][S] | c16cccc4c1.n17nnc5n1.CCC7.C36=O.N35.O4C |
36735 | CCCn1nnc(NC(=O)c2ccc(OCC(C)C)cc2)n1 | [C][C][C][N][N][=N][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][O][C][C][Branch1][C][C][C][C][=C][Ring1][O][=N][Ring2][Ring1][Ring1] | c17ccc5cc1.n18nnc6n1.C4C(C)C.CCC8.C37=O.N36.O45 |
36736 | Cc1nc(NC(=O)C(C)(C)C)ccc1Br | [C][C][=N][C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring1][=N][Br] | Cc1nc3ccc1Br.C2(=O)C(C)(C)C.N23 |
36737 | Cc1cc(C)nc(NC(=O)COc2ccc(C)c(C)c2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][=N][Ring2][Ring1][Ring2] | Cc1cc(C)nc6n1.c15ccc(C)c(C)c1.C3(=O)C4.N36.O45 |
36738 | CCc1ccc(OCC(=O)Nc2nc(C)cc(C)n2)cc1 | [C][C][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][=C][Ring2][Ring1][Ring1] | c16nc(C)cc(C)n1.c17ccc5cc1.C4C3=O.CC7.O45.N36 |
36739 | CCCn1nnnc1NC(=O)c1ccc(C(C)C)cc1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2] | c14ccc6cc1.n15nnnc13.CCC5.C24=O.C6(C)C.N23 |
36740 | CCCn1nnnc1NC(=O)c1ccc(C)c(C)c1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2] | c14ccc(C)c(C)c1.n15nnnc13.CCC5.C24=O.N23 |
36741 | CCCn1nnnc1NC(=O)c1cc2ccccc2cc1OC | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][O][C] | c16cc2ccccc2cc14.n17nnnc15.CCC7.C36=O.N35.O4C |
36742 | CCCn1nnnc1NC(=O)c1cccc2ccccc12 | [C][C][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.n16nnnc14.CCC6.C35=O.N34 |
36743 | CCCn1nnnc1NC(=O)c1cccc(OCC)c1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring2][O][C][C][=C][Ring1][=Branch2] | c16cccc4c1.n17nnnc15.CCC7.C26=O.N25.O34.C3C |
36744 | CCCn1nnnc1NC(=O)c1cccc(OC)c1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2] | c15cccc3c1.n16nnnc14.CCC6.C25=O.N24.O3C |
36745 | CCCn1nnnc1NC(=O)c1ccc(-c2ccccc2)cc1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N] | c15ccc7cc1.n16nnnc14.c17ccccc1.CCC6.C35=O.N34 |
36746 | CCCn1nnnc1NC(=O)c1ccc(C(C)(C)C)cc1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2] | c14ccc6cc1.n15nnnc13.C6(C)(C)C.CCC5.C24=O.N23 |
36747 | CCCn1nnnc1NC(=O)c1cccc(OCc2ccccc2)c1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C] | c17cccc5c1.n18nnnc16.c19ccccc1.CCC8.C37=O.N36.O45.C49 |
36748 | CCCn1nnnc1NC(=O)c1ccccc1OC | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] | c15ccccc13.n16nnnc14.CCC6.C25=O.N24.O3C |
36749 | CCCn1nnnc1NC(=O)c1cc2ccccc2o1 | [C][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.CCC6.C35=O.N34 |
36750 | CCCn1nnnc1NC(=O)C(c1ccccc1)c1ccccc1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | n14nnnc13.c15ccccc1.c16ccccc1.C2(=O)C56.CCC4.N23 |
36751 | CCCn1nnnc1NC(=O)c1sc2ccccc2c1Cl | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][Cl] | c15sc2ccccc2c1Cl.n16nnnc14.CCC6.C35=O.N34 |
36752 | CCCn1nnnc1NC(=O)c1cc(Cl)cc(Cl)c1OC | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C] | c15cc(Cl)cc(Cl)c13.n16nnnc14.CCC6.C25=O.N24.O3C |
36753 | CCCn1nnnc1NC(=O)c1cc(Cl)ccc1OC | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C] | c15cc(Cl)ccc13.n16nnnc14.CCC6.C25=O.N24.O3C |
36754 | CCCn1nnnc1NC(=O)c1cccc(Br)c1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c14cccc(Br)c1.n15nnnc13.CCC5.C24=O.N23 |
36755 | CCCn1nnnc1NC(=O)c1ccccc1Br | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | c14ccccc1Br.n15nnnc13.CCC5.C24=O.N23 |
36756 | CCCn1nnnc1NC(=O)c1ccc(OC)cc1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | c15ccc3cc1.n16nnnc14.CCC6.C25=O.N24.O3C |
36757 | CCCn1nnnc1NC(=O)c1cccc(OC(C)C)c1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=C][Ring1][#Branch2] | c16cccc4c1.n17nnnc15.CCC7.C26=O.C3(C)C.N25.O34 |
36758 | CCCn1nnnc1NC(=O)c1cccc(OCC(C)C)c1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch2][O][C][C][Branch1][C][C][C][=C][Ring1][O] | c16cccc4c1.n17nnnc15.C3C(C)C.CCC7.C26=O.N25.O34 |
36760 | CCCn1nnnc1NC(=O)c1ccc(OC)c(Cl)c1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Cl][=C][Ring1][=Branch2] | c15ccc3c(Cl)c1.n16nnnc14.CCC6.C25=O.N24.O3C |
36761 | CCCn1nnnc1NC(=O)c1ccc(OCC(C)C)cc1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][O][C][C][Branch1][C][C][C][C][=C][Ring1][O] | c16ccc4cc1.n17nnnc15.C3C(C)C.CCC7.C26=O.N25.O34 |
36762 | CCCn1nnnc1NC(=O)c1ccc(OC)c(Br)c1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][Br][=C][Ring1][=Branch2] | c15ccc3c(Br)c1.n16nnnc14.CCC6.C25=O.N24.O3C |
36763 | CCCn1nnnc1NC(=O)c1ccc(OC(C)C)cc1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][=C][Ring1][#Branch2] | c16ccc4cc1.n17nnnc15.CCC7.C26=O.C3(C)C.N25.O34 |
36764 | CCCn1nnnc1NC(=O)c1ccc(OC(C)CC)cc1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][O][C][Branch1][C][C][C][C][C][=C][Ring1][O] | c16ccc4cc1.n17nnnc15.C3(C)CC.CCC7.C26=O.N25.O34 |
36765 | CCCn1nnnc1NC(=O)COc1ccc(Cl)cc1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14ccc(Cl)cc1.n16nnnc15.C2(=O)C3.CCC6.N25.O34 |
36766 | CCCn1nnnc1NC(=O)COc1ccccc1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | n16nnnc15.c14ccccc1.C2(=O)C3.CCC6.N25.O34 |
36767 | CCCn1nnnc1NC(=O)COc1ccc(C(C)C)cc1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2] | c14ccc7cc1.n16nnnc15.C2(=O)C3.CCC6.C7(C)C.N25.O34 |
36768 | CCCn1nnnc1NC(=O)COc1cc(C)ccc1C(C)C | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][Branch1][C][C][C] | c14cc(C)ccc17.n16nnnc15.C2(=O)C3.CCC6.C7(C)C.N25.O34 |
36769 | CCCn1nnnc1NC(=O)COc1ccc(C(C)(C)C)cc1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2] | c14ccc7cc1.n16nnnc15.C2(=O)C3.C7(C)(C)C.CCC6.N25.O34 |
36770 | CCCn1nnnc1NC(=O)COc1ccccc1C | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C] | c14ccccc1C.n16nnnc15.C2(=O)C3.CCC6.N25.O34 |
36771 | CCCn1nnnc1NC(=O)COc1ccc(C)cc1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c14ccc(C)cc1.n16nnnc15.C2(=O)C3.CCC6.N25.O34 |
36772 | CCCn1nnnc1NC(=O)COc1cccc(C)c1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1] | c14cccc(C)c1.n16nnnc15.C2(=O)C3.CCC6.N25.O34 |
36773 | CCCn1nnnc1NC(=O)c1ccc(Cl)cc1Cl | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] | c14ccc(Cl)cc1Cl.n15nnnc13.CCC5.C24=O.N23 |
36774 | CCCn1nnnc1NC(=O)c1cccc(Cl)c1Cl | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl] | c14cccc(Cl)c1Cl.n15nnnc13.CCC5.C24=O.N23 |
36775 | CCCn1nnnc1NC(=O)c1cc(Br)ccc1Cl | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Cl] | c14cc(Br)ccc1Cl.n15nnnc13.CCC5.C24=O.N23 |
36776 | CCCn1nnnc1NC(=O)c1ccc(Br)cc1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c14ccc(Br)cc1.n15nnnc13.CCC5.C24=O.N23 |
36777 | CCCn1nnnc1NC(=O)c1ccc(C)c(Cl)c1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][Branch2] | c14ccc(C)c(Cl)c1.n15nnnc13.CCC5.C24=O.N23 |
36778 | CCCn1nnnc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][N] | c17ccc(Cl)cc1.n16nnnc14.c15ccc7o1.CCC6.C35=O.N34 |
36780 | CCCn1nnnc1NC(=O)COc1cccc2ccccc12 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c15cccc2ccccc12.n17nnnc16.C3(=O)C4.CCC7.N36.O45 |
36781 | CCCn1nnnc1NC(=O)COc1ccc2ccccc2c1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c15ccc2ccccc2c1.n17nnnc16.C3(=O)C4.CCC7.N36.O45 |
36782 | CCCn1nnnc1NC(=O)COc1ccc(C)cc1C | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C] | c14ccc(C)cc1C.n16nnnc15.C2(=O)C3.CCC6.N25.O34 |
36783 | CCCn1nnnc1NC(=O)COc1ccc(C)c(C)c1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2] | c14ccc(C)c(C)c1.n16nnnc15.C2(=O)C3.CCC6.N25.O34 |
36784 | CCCn1nnnc1NC(=O)COc1ccccc1Cl | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c14ccccc1Cl.n16nnnc15.C2(=O)C3.CCC6.N25.O34 |
36785 | CCCn1nnnc1NC(=O)c1cccc(C)c1OC | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C] | c15cccc(C)c13.n16nnnc14.CCC6.C25=O.N24.O3C |
36787 | CCC(=O)Nc1ccc(NC(=O)c2ccccc2OC)cc1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring1][P] | c16ccc7cc1.c18ccccc15.CCC3=O.C48=O.N36.N47.O5C |
36788 | O=C(Nc1ccccc1N1CCCC1)c1cccc(F)c1 | [O][=C][Branch1][P][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c13ccccc14.c15cccc(F)c1.N14CCCC1.O=C25.N23 |
36789 | Nc1cc2nn(-c3ccc(F)cc3)nc2cc1Br | [N][C][=C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][Ring1][N][C][=C][Ring1][S][Br] | Nc1cc2nn4nc2cc1Br.c14ccc(F)cc1 |
36790 | Nc1cc2nn(-c3ccc(F)cc3)nc2cc1Cl | [N][C][=C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][Ring1][N][C][=C][Ring1][S][Cl] | Nc1cc2nn4nc2cc1Cl.c14ccc(F)cc1 |
36791 | CCOc1ccc(-n2nc3cc(N)c(Br)cc3n2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][N][=C][C][=C][Branch1][C][N][C][Branch1][C][Br][=C][C][Ring1][Branch2][=N][Ring1][O][C][=C][Ring1][P] | n16nc2cc(N)c(Br)cc2n1.c15ccc6cc1.CC4.O45 |
36792 | Nc1cc2nn(-c3ccccc3)nc2cc1Br | [N][C][=C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][Ring1][#C][Br] | Nc1cc2nn4nc2cc1Br.c14ccccc1 |
36793 | COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C(C)=O)o2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][Branch1][#C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][O][Ring1][Branch2][=C][Ring2][Ring1][C] | c16cc7cc8c1.c18ccc5o1.C36=O.C47=O.C5(C)=O.CO3.O4C |
36794 | Nc1cc2nn(-c3ccc(Cl)cc3)nc2cc1Br | [N][C][=C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring1][N][C][=C][Ring1][S][Br] | Nc1cc2nn4nc2cc1Br.c14ccc(Cl)cc1 |
36795 | Nc1cc2nn(-c3ccc(Cl)cc3)nc2cc1Cl | [N][C][=C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring1][N][C][=C][Ring1][S][Cl] | Nc1cc2nn4nc2cc1Cl.c14ccc(Cl)cc1 |
36796 | CCOc1ccc(-n2nc3cc(N)c(Cl)cc3n2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][N][=C][C][=C][Branch1][C][N][C][Branch1][C][Cl][=C][C][Ring1][Branch2][=N][Ring1][O][C][=C][Ring1][P] | n16nc2cc(N)c(Cl)cc2n1.c15ccc6cc1.CC4.O45 |
36797 | COc1ccc(-n2nc3cc(N)c(Cl)cc3n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][N][=C][C][=C][Branch1][C][N][C][Branch1][C][Cl][=C][C][Ring1][Branch2][=N][Ring1][O][C][=C][Ring1][P] | n15nc2cc(N)c(Cl)cc2n1.c14ccc5cc1.CO4 |
36798 | Cc1c(O)ccc(C(=O)Cc2nncn2-c2ccccc2)c1O | [C][C][=C][Branch1][C][O][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Branch1][O] | Cc1c(O)ccc3c1O.c14nncn15.c15ccccc1.C3(=O)C4 |
36799 | O=C(COc1ccccc1)Nc1ccc2nn(-c3ccccc3)nc2c1 | [O][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=Ring1][#C] | c17ccc2nn8nc2c1.c16ccccc1.c18ccccc1.O=C4C5.O56.N47 |
36801 | COc1cc(N)ccc1NC(=O)c1ccc(Cl)cc1 | [C][O][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c13cc(N)ccc14.c15ccc(Cl)cc1.C25=O.CO3.N24 |
36802 | Nc1ccc(NC(=O)c2ccc(Cl)cc2)c(Cl)c1 | [N][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][Cl][=C][Ring1][P] | Nc1ccc4c(Cl)c1.c15ccc(Cl)cc1.C35=O.N34 |
36803 | COc1ccc(C(=O)Nc2ccc(N)cc2Cl)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][Cl][C][=C][Ring1][P] | c15ccc(N)cc1Cl.c14ccc6cc1.C36=O.CO4.N35 |
36804 | COc1ccc(C(=O)Nc2ccc(N)cc2OC)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][O][C][C][=C][Ring2][Ring1][C] | c16ccc(N)cc15.c14ccc7cc1.C37=O.CO4.N36.O5C |
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