ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1933597 | CC(CO)NC(=O)C1(c2cccc(F)c2)CCCC1 | [C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][C][C][Ring1][N] | c16cccc(F)c1.C156CCCC1.CC4CO.C35=O.N34 |
1933598 | CC(CO)NC(=O)CSc1nnnn1C1CCCC1 | [C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][C][C][C][Ring1][Branch1] | c16nnnn15.C15CCCC1.CC3CO.C2(=O)C4.N23.S46 |
1933599 | CC(CO)NC(=O)C1(c2ccc(Br)cc2)CCCC1 | [C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][N] | c16ccc(Br)cc1.C156CCCC1.CC4CO.C35=O.N34 |
1933600 | CC(CO)NC(=O)C1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 | [C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2] | C128CC3CC(CC(C3)C1)C2.C17CCCN15.CC6CO.C47=O.C58=O.N46 |
1933601 | CC(CO)NC(=O)c1cnc2ccccc2c1C(F)(F)F | [C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F] | c15cnc2ccccc2c16.CC4CO.C6(F)(F)F.C35=O.N34 |
1933602 | CC(CO)NC(=O)C1(c2ccc(F)cc2)CCCC1 | [C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][C][Ring1][N] | c16ccc(F)cc1.C156CCCC1.CC4CO.C35=O.N34 |
1933603 | COc1ccc2nc(C(=O)NC(C)CO)ccc2c1 | [C][O][C][=C][C][=C][N][=C][Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][O][C][=C][C][Ring1][=N][=C][Ring1][P] | c14ccc2nc6ccc2c1.C5(C)CO.C36=O.CO4.N35 |
1933605 | CC(CO)NC(=O)c1cc(C(C)C)nc2ccccc12 | [C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=N][Ring1][=Branch1] | c15cc6nc2ccccc12.CC4CO.C35=O.C6(C)C.N34 |
1933606 | CC(CO)NC(=O)c1ccc(COc2ccc3ccccc3c2)o1 | [C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][Ring1][P] | c16ccc2ccccc2c1.c18ccc9o1.CC7CO.C48=O.N47.C59.O56 |
1933607 | CCCNC(=O)C1CCN(C(=O)NCCC2CCCC2)CC1 | [C][C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][S] | C18CCN4CC1.C19CCCC1.CCC6.C38=O.C45=O.C7C9.N36.N57 |
1933608 | CC1CN(C(C)(C)CNC(=O)NC(C)C2CCCO2)CC(C)O1 | [C][C][C][N][Branch2][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][C][O][Ring1][Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][=Branch1] | CC1CN5CC(C)O1.C5(C)(C)C6.C18CCCO1.C34=O.C78C.N36.N47 |
1933609 | CCOCc1ccc(CNc2nc(C)cc(C)n2)cc1 | [C][C][O][C][C][=C][C][=C][Branch1][P][C][N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C][=C][Ring1][S] | c16nc(C)cc(C)n1.c17ccc8cc1.CC3.O34.C47.C58.N56 |
1933610 | Cc1nnc(CN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)o1 | [C][C][=N][N][=C][Branch2][Ring1][S][C][N][C][C][N][Branch2][Ring1][Ring1][C][O][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][=Ring1][#Branch2][C][#N][C][C][Ring2][Ring1][C][O][Ring2][Ring1][Branch2] | c16oc8nc1C#N.N15CCN6CC1.Cc1nnc7o1.c18ccco1.C57 |
1933611 | CC1CN(Cc2nc(-c3ccccc3OC(F)F)no2)C(C)CO1 | [C][C][C][N][Branch2][Ring1][=Branch2][C][C][=N][C][Branch1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][F][=N][O][Ring1][#C][C][Branch1][C][C][C][O][Ring2][Ring1][#Branch1] | CC1CN5C(C)CO1.c17ccccc14.c16nc7no1.O4C(F)F.C56 |
1933612 | CC(C)OCC(O)CN1CCN(C(=O)c2ccoc2)CC1 | [C][C][Branch1][C][C][O][C][C][Branch1][C][O][C][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][C][Ring1][=N] | N16CCN3CC1.C5C(O)C6.c17ccoc1.CC4C.C37=O.O45 |
1933613 | O=C(NCCO)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 | [O][=C][Branch1][Branch1][N][C][C][O][C][=C][C][=C][Branch1][C][F][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring1][#C] | c16ccc(F)c(S5(=O)=O)c1.N15CCCC1.O=C36.C4CO.N34 |
1933614 | O=C(NCCO)c1ccc(Cl)c2cccnc12 | [O][=C][Branch1][Branch1][N][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1] | c15ccc(Cl)c2cccnc12.O=C35.C4CO.N34 |
1933616 | CN(Cc1cccnc1)C(=O)c1ccc(N2CCCCCC2)nc1 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][N][=C][Ring1][=N] | c16ccc5nc1.N15CCCCCC1.c17cccnc1.CN34.C36=O.C47 |
1933617 | O=C(NCCCO)c1ccc(Cl)c2cccnc12 | [O][=C][Branch1][=Branch1][N][C][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1] | c15ccc(Cl)c2cccnc12.C4CCO.O=C35.N34 |
1933618 | CC(O)CNC(=O)c1ccc(Cl)c2cccnc12 | [C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1] | c15ccc(Cl)c2cccnc12.CC(O)C4.C35=O.N34 |
1933620 | CC(CO)NC(=O)c1ccc(Cl)c2cccnc12 | [C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1] | c15ccc(Cl)c2cccnc12.CC4CO.C35=O.N34 |
1933621 | CC(CO)NC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 | [C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1][=C][Ring1][=C] | c17cccc(S6(=O)=O)c1.CC4CO.C37=O.C18CC1.N34.N56.C58 |
1933622 | Cc1ccc(NC(=O)C2CCC(=O)NC2)c(OCc2ccccc2)c1 | [C][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Branch2] | Cc1ccc6c5c1.C17CCC(=O)NC1.c18ccccc1.C37=O.N36.O45.C48 |
1933623 | CC(C)(C(=O)Nc1ccc(CN2CCOC2=O)cc1)c1ccccc1 | [C][C][Branch1][C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][O][C][Ring1][Branch1][=O][C][=C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccc7cc1.CC6(C)C3=O.N15CCOC1=O.c16ccccc1.N34.C57 |
1933624 | O=C(Nc1ccc(CN2CCOC2=O)cc1)C1CCOCC1 | [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][O][C][Ring1][Branch1][=O][C][=C][Ring1][=N][C][C][C][O][C][C][Ring1][=Branch1] | c14ccc7cc1.N16CCOC1=O.C15CCOCC1.O=C35.N34.C67 |
1933625 | O=C(Nc1ccc(CN2CCOC2=O)cc1)C(O)c1ccccc1 | [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][O][C][Ring1][Branch1][=O][C][=C][Ring1][=N][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccc6cc1.N15CCOC1=O.c17ccccc1.O=C3C7O.N34.C56 |
1933626 | Cn1cc(C(=O)Nc2ccc(CN3CCOC3=O)cc2)ccc1=O | [C][N][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][O][C][Ring1][Branch1][=O][C][=C][Ring1][=N][C][=C][C][Ring2][Ring1][=Branch1][=O] | Cn1cc6ccc1=O.c15ccc8cc1.N17CCOC1=O.C46=O.N45.C78 |
1933627 | COC(C(=O)Nc1ccc(CN2CCOC2=O)cc1)c1ccccc1 | [C][O][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][O][C][Ring1][Branch1][=O][C][=C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccc8cc1.N16CCOC1=O.c17ccccc1.C47C3=O.CO4.N35.C68 |
1933628 | Cc1cc(C(=O)Nc2ccc(CN3CCOC3=O)cc2)n(C)n1 | [C][C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][C][N][C][C][O][C][Ring1][Branch1][=O][C][=C][Ring1][=N][N][Branch1][C][C][N][=Ring2][Ring1][=Branch1] | Cc1cc6n(C)n1.c15ccc8cc1.N17CCOC1=O.C46=O.N45.C78 |
1933629 | O=C(Cn1cnnn1)N(Cc1ccco1)c1ccc(F)cc1F | [O][=C][Branch1][=Branch2][C][N][C][=N][N][=N][Ring1][Branch1][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c14ccc(F)cc1F.n15cnnn1.c16ccco1.O=C2C5.N234.C36 |
1933630 | O=C(CC(F)(F)F)N(Cc1ccco1)c1ccc(F)cc1F | [O][=C][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c14ccc(F)cc1F.O=C2CC(F)(F)F.c15ccco1.N234.C35 |
1933631 | CN1CC(C(=O)N(Cc2ccco2)c2ccc(F)cc2F)CC1=O | [C][N][C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][C][Ring2][Ring1][=Branch1][=O] | c15ccc(F)cc1F.CN1CC6CC1=O.c17ccco1.C36=O.N345.C47 |
1933633 | Cc1cc(C(=O)Nc2cccc(OCc3cccc(F)c3)c2)n(C)n1 | [C][C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=C][O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Ring1][#C][N][Branch1][C][C][N][=Ring2][Ring1][Branch2] | Cc1cc8n(C)n1.c17cccc6c1.c19cccc(F)c1.C48=O.N47.O56.C59 |
1933634 | Cc1ccc(C(=O)N(Cc2cccnc2)CC2CCCO2)c(=O)[nH]1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][C][C][C][O][Ring1][Branch1][C][=Branch1][C][=O][NH1][Ring2][Ring1][#Branch1] | Cc1ccc6c(=O)[nH]1.c18cccnc1.C17CCCO1.C36=O.N345.C48.C57 |
1933635 | CCOc1ccc(NC(=O)CN2CCCS2(=O)=O)c(C)c1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][N][C][C][C][S][Ring1][Branch1][=Branch1][C][=O][=O][C][Branch1][C][C][=C][Ring2][Ring1][C] | c15ccc7c(C)c1.N16CCCS1(=O)=O.C3(=O)C6.CC4.O45.N37 |
1933636 | CC(=O)NC(C)C(=O)N1CCN(C(=O)c2cc(C)oc2C)CC1 | [C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][C][=Ring1][=Branch1][C][C][C][Ring1][#C] | N14CCN5CC1.c17cc(C)oc1C.C6(C)C4=O.CC3=O.C57=O.N36 |
1933637 | CCCCCCC(=O)N1CCN(C(=O)c2cc(C)oc2C)CC1 | [C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][C][=Ring1][=Branch1][C][C][C][Ring1][#C] | CCCCCCC3=O.N13CCN4CC1.c15cc(C)oc1C.C45=O |
1933638 | CCOCC(=O)N1CCN(C(=O)c2cc(C)oc2C)CC1 | [C][C][O][C][C][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][C][=Ring1][=Branch1][C][C][C][Ring1][#C] | N13CCN4CC1.c17cc(C)oc1C.C6C3=O.C47=O.CC5.O56 |
1933639 | Cc1cc(C(=O)N2CCN(C(=O)COCC(F)(F)F)CC2)c(C)o1 | [C][C][=C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=Branch1][C][=O][C][O][C][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#C][=C][Branch1][C][C][O][Ring2][Ring1][#Branch1] | Cc1cc7c(C)o1.N13CCN4CC1.C6C(F)(F)F.C4(=O)C5.C37=O.O56 |
1933640 | Cc1cc(C(=O)N2CCN(C(=O)c3ccc(=O)n(C)c3)CC2)c(C)o1 | [C][C][=C][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Ring1][Branch2][C][C][Ring1][S][=C][Branch1][C][C][O][Ring2][Ring1][Branch2] | c17ccc(=O)n(C)c1.Cc1cc6c(C)o1.N14CCN5CC1.C46=O.C57=O |
1933641 | COCc1ccc(C(=O)NCCCn2cccn2)o1 | [C][O][C][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][N][C][=C][C][=N][Ring1][Branch1][O][Ring1][S] | c18ccc6o1.n17cccn1.C5CC7.C36=O.CO4.C48.N35 |
1933642 | O=C(NCCCO)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 | [O][=C][Branch1][=Branch1][N][C][C][C][O][C][=C][C][=C][Branch1][C][F][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring1][#C] | c16ccc(F)c(S5(=O)=O)c1.N15CCCC1.C4CCO.O=C36.N34 |
1933643 | CC(O)CNC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 | [C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring1][#C] | c16ccc(F)c(S5(=O)=O)c1.N15CCCC1.CC(O)C4.C36=O.N34 |
1933644 | CC(CO)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 | [C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring1][#C] | c16ccc(F)c(S5(=O)=O)c1.N15CCCC1.CC4CO.C36=O.N34 |
1933647 | CCCCN(C(=O)C1CCN(C(=O)C2CC2)CC1)C(C)CC | [C][C][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][O][C][Branch1][C][C][C][C] | C17CCN4CC1.CCCC5.C6(C)CC.N356.C37=O.C48=O.C18CC1 |
1933648 | Cc1cc(C(=O)OCc2ccc(F)cc2)c(C)n1Cc1ccccn1 | [C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][C][C][N][Ring1][P][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cc1cc5c(C)n16.c18ccc(F)cc1.c17ccccn1.C35=O.O34.C48.C67 |
1933649 | Cc1cc(C(=O)OCc2ccccc2)c(C)n1Cc1ccccn1 | [C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][C][N][Ring1][S][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cc1cc5c(C)n16.c18ccccc1.c17ccccn1.C35=O.O34.C48.C67 |
1933650 | Cc1cc(C(=O)OCc2ccccc2F)c(C)n1Cc1ccccn1 | [C][C][=C][C][Branch1][S][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][Branch1][C][C][N][Ring1][P][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cc1cc5c(C)n16.c18ccccc1F.c17ccccn1.C35=O.O34.C48.C67 |
1933651 | Cc1cc(C(=O)OCc2cccc(F)c2)c(C)n1Cc1ccccn1 | [C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Branch1][C][C][N][Ring1][P][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cc1cc5c(C)n16.c18cccc(F)c1.c17ccccn1.C35=O.O34.C48.C67 |
1933652 | Cc1noc2nc(C(C)C)cc(C(=O)N(C)Cc3ccncc3)c12 | [C][C][=N][O][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring2] | Cc1noc2nc7cc6c12.c18ccncc1.C7(C)C.C46=O.N45C.C58 |
1933653 | Cc1nc(C(=O)N(C)Cc2ccncc2)nn1-c1ccc(Cl)cc1 | [C][C][=N][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][N][Ring1][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Cc1nc5nn17.c17ccc(Cl)cc1.c16ccncc1.C35=O.N34C.C46 |
1933654 | Cc1ccc2[nH]nc(C(=O)NCCc3c[nH]c4ccccc34)c2c1 | [C][C][=C][C][=C][NH1][N][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] | Cc1ccc2[nH]nc7c2c1.c18c[nH]c2ccccc12.C57=O.C6C8.N56 |
1933655 | Cc1ccc2[nH]nc(C(=O)NC(C)c3ccc(-n4cncn4)cc3)c2c1 | [C][C][=C][C][=C][NH1][N][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][C][=C][Ring1][O][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2] | Cc1ccc2[nH]nc7c2c1.c18ccc9cc1.n19cncn1.C57=O.C68C.N56 |
1933656 | Cc1ccc2[nH]nc(C(=O)N3CCN(c4ncccn4)CC3)c2c1 | [C][C][=C][C][=C][NH1][N][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] | Cc1ccc2[nH]nc7c2c1.N15CCN6CC1.c16ncccn1.C57=O |
1933657 | Cc1ccc2[nH]nc(C(=O)Nc3ccc4c(c3)OCO4)c2c1 | [C][C][=C][C][=C][NH1][N][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Ring1][P][=C][Ring2][Ring1][Branch1] | Cc1ccc2[nH]nc7c2c1.c16ccc2c(c1)OCO2.C57=O.N56 |
1933658 | Cc1ccc2[nH]nc(C(=O)N3CCc4sccc4C3)c2c1 | [C][C][=C][C][=C][NH1][N][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][S][C][=C][C][=Ring1][Branch1][C][Ring1][=Branch2][C][Ring1][S][=C][Ring2][Ring1][Ring2] | Cc1ccc2[nH]nc6c2c1.N15CCc2sccc2C1.C56=O |
1933659 | Cc1ccc2[nH]nc(C(=O)NCCCOc3ccccc3)c2c1 | [C][C][=C][C][=C][NH1][N][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc2[nH]nc8c2c1.c16ccccc1.C7CC5.C48=O.N47.O56 |
1933660 | Cc1[nH]n(-c2ccccc2)c(=O)c1C(=O)Nc1ccccc1F | [C][C][NH1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | Cc1[nH]n6c(=O)c15.c14ccccc1F.c16ccccc1.C35=O.N34 |
1933661 | Cn1ncc2c(NCCNC(=O)C3CC4CCC3C4)ncnc21 | [C][N][N][=C][C][=C][Branch2][Ring1][Ring2][N][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1][N][=C][N][=C][Ring2][Ring1][Ring1][Ring2][Ring1][=Branch1] | Cn1ncc2c8ncnc21.C19CC2CCC1C2.C6C7.C59=O.N68.N57 |
1933662 | O=C(NC1CC1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 | [O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch2][Ring1][C][C][=N][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][C][=C][Ring1][#C] | c15ccc7cc1.c17noc6n1.C6(F)(F)F.O=C35.C14CC1.N34 |
1933663 | O=C(Cc1coc(-c2ccc(F)c(F)c2)n1)N1CCCC1 | [O][=C][Branch2][Ring1][=Branch2][C][C][=C][O][C][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=N][Ring1][=N][N][C][C][C][C][Ring1][Branch1] | c15ccc(F)c(F)c1.c14coc5n1.N13CCCC1.O=C3C4 |
1933664 | Cc1cccc(CS(=O)(=O)N(C)c2ccccn2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][C] | Cc1cccc5c1.c14ccccn1.C5S3(=O)=O.N34C |
1933666 | Cc1nc(C(=O)N2CCNC(=O)C2c2ccccc2)c2ccccn12 | [C][C][=N][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][C][=C][N][Ring2][Ring1][Branch2][Ring1][=Branch1] | Cc1nc4c2ccccn12.N13CCNC(=O)C15.c15ccccc1.C34=O |
1933667 | CCCc1nnnn1Cc1noc(-c2ccccc2)n1 | [C][C][C][C][=N][N][=N][N][Ring1][Branch1][C][C][=N][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O] | c14nnnn13.c15noc6n1.c16ccccc1.CCC4.C35 |
1933668 | CCCc1onc(C)c1C(=O)N1CCCC2CCCC21 | [C][C][C][C][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][Ring1][Branch1][Ring1][=Branch2] | N13CCCC2CCCC21.c15onc(C)c14.CCC5.C34=O |
1933669 | CCC(Nc1nnnn1-c1ccccc1)C(=O)NCc1cn[nH]n1 | [C][C][C][Branch1][P][N][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=N][NH1][N][=Ring1][Branch1] | CCC3C2=O.c15nnnn17.c17ccccc1.c16cn[nH]n1.N35.N24.C46 |
1933670 | O=C(OCCC1CCCO1)c1c(F)cc(F)cc1F | [O][=C][Branch1][O][O][C][C][C][C][C][C][O][Ring1][Branch1][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][F] | c14c(F)cc(F)cc1F.C15CCCO1.O=C24.C3C5.O23 |
1933671 | Cc1cccc(=O)n1CCC(=O)NCCc1nc2ccccc2[nH]1 | [C][C][=C][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c16nc2ccccc2[nH]1.Cc1cccc(=O)n15.C5CC3=O.C4C6.N34 |
1933672 | COCC(c1ccccn1)N(C)C(=O)c1ccc(-n2ccnc2)cc1 | [C][O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O] | c16ccc8cc1.c17ccccn1.n18ccnc1.C4C57.N35C.C36=O.CO4 |
1933673 | CCN(Cc1ccccc1)C(=O)c1cnn(-c2ccccn2)c1C | [C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Ring1][O][C] | c16cnn8c1C.c17ccccc1.c18ccccn1.N345.C36=O.CC4.C57 |
1933674 | Cc1nc[nH]c1C(=O)NCCc1ccccc1C(F)(F)F | [C][C][N][=C][NH1][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | c15ccccc16.Cc1nc[nH]c14.C6(F)(F)F.C24=O.C3C5.N23 |
1933675 | Cc1c(C(=O)N(C)Cc2cccc(F)c2)cnn1-c1ccccn1 | [C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=N][N][Ring1][P][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cc1c5cnn17.c16cccc(F)c1.c17ccccn1.C35=O.N34C.C46 |
1933676 | Cc1ccc(-c2nc(CC(=O)NCCO)cs2)o1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=N][C][Branch1][#Branch2][C][C][=Branch1][C][=O][N][C][C][O][=C][S][Ring1][N][O][Ring1][P] | Cc1ccc6o1.c16nc5cs1.C5C3=O.C4CO.N34 |
1933677 | O=C(NCCO)c1ccc(-c2ccccc2F)s1 | [O][=C][Branch1][Branch1][N][C][C][O][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][Ring1][N] | c16ccccc1F.c15ccc6s1.O=C35.C4CO.N34 |
1933678 | Cc1nc(-c2ccc(CC(=O)NCCO)cc2)cs1 | [C][C][=N][C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch2][C][C][=Branch1][C][=O][N][C][C][O][C][=C][Ring1][=N][=C][S][Ring2][Ring1][C] | c16ccc5cc1.Cc1nc6cs1.C5C3=O.C4CO.N34 |
1933679 | O=C(NC1C2CC3CC(C2)CC1C3)c1cn(-c2ccccc2)nn1 | [O][=C][Branch2][Ring1][Ring2][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][=Branch2][C][Ring1][#Branch1][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][O] | C15C2CC3CC(C2)CC1C3.c16cn7nn1.c17ccccc1.O=C46.N45 |
1933681 | CCn1nc(C(C)C)cc1C(=O)Nc1ncc(C(N)=O)s1 | [C][C][N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][S][Ring1][Branch2] | n16nc7cc14.c13ncc5s1.C7(C)C.C24=O.C5(N)=O.CC6.N23 |
1933682 | Cc1cc(C)c(NC(=O)c2sccc2C)c(C)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][C][C][Branch1][C][C][=N][Ring1][P] | Cc1cc(C)c4c(C)n1.c15sccc1C.C35=O.N34 |
1933683 | Cc1cc(C)c(NC(=O)c2cc(C)oc2C)c(C)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][C][=Ring1][=Branch1][C][C][Branch1][C][C][=N][Ring2][Ring1][C] | Cc1cc(C)c4c(C)n1.c15cc(C)oc1C.C35=O.N34 |
1933684 | Cc1cc(C)c(NC(=O)c2cc(C)c(C)s2)c(C)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][Branch1][C][C][S][Ring1][#Branch1][C][Branch1][C][C][=N][Ring2][Ring1][C] | Cc1cc(C)c4c(C)n1.c15cc(C)c(C)s1.C35=O.N34 |
1933685 | Cc1cc(C)c(NC(=O)c2cnn(-c3ccccc3)n2)c(C)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][O][C][Branch1][C][C][=N][Ring2][Ring1][=Branch1] | Cc1cc(C)c5c(C)n1.c16cnn7n1.c17ccccc1.C46=O.N45 |
1933686 | Cc1cc(C)c(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)c(C)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][C][C][O][Ring1][Branch2][C][Branch1][C][C][=N][Ring2][Ring1][#Branch1] | c16cc(Cl)c2c(c1)OCCCO2.Cc1cc(C)c5c(C)n1.C46=O.N45 |
1933687 | Cc1cc(C)c(NC(=O)C2CC(=O)Nc3ccccc32)c(C)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][Branch1][C][C][=N][Ring2][Ring1][=Branch1] | C4(=O)C1CC(=O)Nc2ccccc21.Cc1cc(C)c5c(C)n1.N45 |
1933688 | Cc1cc(C)c(NC(=O)c2ccc(Cn3cccn3)cc2)c(C)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][N][C][Branch1][C][C][=N][Ring2][Ring1][#Branch1] | Cc1cc(C)c5c(C)n1.c16ccc8cc1.n17cccn1.C46=O.N45.C78 |
1933689 | Cc1cc(C)c(NC(=O)C2CC(=O)Nc3cc(F)ccc32)c(C)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][N][C][Branch1][C][C][=N][Ring2][Ring1][#Branch1] | C4(=O)C1CC(=O)Nc2cc(F)ccc21.Cc1cc(C)c5c(C)n1.N45 |
1933690 | Cc1cc(C)c(NC(=O)c2ccc(Cn3ccccc3=O)o2)c(C)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][N][C][=C][C][=C][C][Ring1][=Branch1][=O][O][Ring1][=N][C][Branch1][C][C][=N][Ring2][Ring1][Branch2] | Cc1cc(C)c5c(C)n1.n17ccccc1=O.c16ccc8o1.C46=O.N45.C78 |
1933691 | Cc1cc(C)c(NC(=O)c2c(C)oc(C)c2Br)c(C)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][Branch1][C][C][=C][Ring1][#Branch1][Br][C][Branch1][C][C][=N][Ring2][Ring1][Ring1] | Cc1cc(C)c4c(C)n1.c15c(C)oc(C)c1Br.C35=O.N34 |
1933692 | Cc1cc(C)c(NC(=O)CCNC(=O)c2ccc(F)cc2F)c(C)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][Branch1][C][C][=N][Ring2][Ring1][Branch2] | Cc1cc(C)c6c(C)n1.c17ccc(F)cc1F.C3(=O)CC5.C47=O.N36.N45 |
1933693 | CC(C)CN(C(=O)C1(C)CC1(Cl)Cl)C1CC1 | [C][C][Branch1][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Ring1][Ring2][Branch1][C][Cl][Cl][C][C][C][Ring1][Ring1] | C15(C)CC1(Cl)Cl.CC(C)C3.N234.C25=O.C14CC1 |
1933694 | O=C(NCc1cccc2ccccc12)c1cn(-c2ccccc2)nn1 | [O][=C][Branch1][P][N][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][O] | c16cccc2ccccc12.c15cn7nn1.c17ccccc1.O=C35.N34.C46 |
1933695 | CC(c1ccco1)N(C)C(=O)c1ccc(N(C)C)nc1 | [C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][=C][Ring1][=Branch2] | c15ccc4nc1.c16ccco1.CC36.N23C.C25=O.N4(C)C |
1933696 | Cc1ccc(-c2nc(CC(=O)NCCCO)cs2)o1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=N][C][Branch1][O][C][C][=Branch1][C][=O][N][C][C][C][O][=C][S][Ring1][=N][O][Ring2][Ring1][C] | Cc1ccc6o1.c16nc5cs1.C5C3=O.C4CCO.N34 |
1933697 | O=C(NCCCO)c1ccc(-c2ccccc2F)s1 | [O][=C][Branch1][=Branch1][N][C][C][C][O][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][Ring1][N] | c16ccccc1F.c15ccc6s1.C4CCO.O=C35.N34 |
1933698 | Cc1nc(-c2ccc(CC(=O)NCCCO)cc2)cs1 | [C][C][=N][C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][C][C][=Branch1][C][=O][N][C][C][C][O][C][=C][Ring1][=C][=C][S][Ring2][Ring1][Ring1] | c16ccc5cc1.Cc1nc6cs1.C5C3=O.C4CCO.N34 |
1933699 | Cc1cc(C(=O)NCCCO)c2ccc(F)cc2n1 | [C][C][=C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][C][O][=C][C][=C][C][Branch1][C][F][=C][C][Ring1][#Branch1][=N][Ring2][Ring1][C] | Cc1cc5c2ccc(F)cc2n1.C4CCO.C35=O.N34 |
1933700 | Cc1c(C(=O)N(CCO)Cc2ccccc2)cnn1-c1ccccn1 | [C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][Ring2][Ring1][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cc1c6cnn18.c17ccccc1.c18ccccn1.C36=O.N345.C4CO.C57 |
1933701 | CCN(CCO)C(=O)Cc1csc(-c2ccc(C)o2)n1 | [C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][=N][Ring1][O] | c16csc7n1.c17ccc(C)o1.C3(=O)C6.N345.C5CO.CC4 |
1933702 | CCN(CCO)C(=O)c1ccc(-c2ccccc2F)s1 | [C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][Ring1][N] | c17ccccc1F.c16ccc7s1.N345.C5CO.C36=O.CC4 |
1933703 | CCN(CCO)C(=O)c1cc(C)nc2cc(F)ccc12 | [C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][N][Ring1][#Branch1] | c16cc(C)nc2cc(F)ccc12.N345.C5CO.C36=O.CC4 |
1933704 | Cc1ccc(-c2nc(CC(=O)NCC(C)O)cs2)o1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][C][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][=C][S][Ring1][=N][O][Ring2][Ring1][C] | Cc1ccc6o1.c16nc5cs1.C5C3=O.C4C(C)O.N34 |
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