ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1930409 | CC(C)S(=O)(=O)c1ccc(CC(=O)NCCc2ccoc2)cc1 | [C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][=C][O][C][=Ring1][Branch1][C][=C][Ring1][P] | CC(C)S(=O)(=O)c1ccc5cc1.c16ccoc1.C5C3=O.C4C6.N34 |
1930410 | COc1ccc(CNC(=O)NCCc2ccoc2)cc1 | [C][O][C][=C][C][=C][Branch1][P][C][N][C][=Branch1][C][=O][N][C][C][C][C][=C][O][C][=Ring1][Branch1][C][=C][Ring2][Ring1][C] | c15ccc8cc1.c19ccoc1.C34=O.C7C9.CO5.C68.N36.N47 |
1930411 | COc1ccc(CNC(=O)NCCc2ccoc2)cc1OC | [C][O][C][=C][C][=C][Branch1][P][C][N][C][=Branch1][C][=O][N][C][C][C][C][=C][O][C][=Ring1][Branch1][C][=C][Ring2][Ring1][C][O][C] | c15ccc9cc16.c1%10ccoc1.C34=O.C8C%10.CO5.C79.N37.N48.O6C |
1930412 | O=C(c1ccc2ncsc2c1)N1CCC(Oc2cccnn2)CC1 | [O][=C][Branch1][=C][C][=C][C][=C][N][=C][S][C][Ring1][Branch1][=C][Ring1][=Branch2][N][C][C][C][Branch1][#Branch2][O][C][=C][C][=C][N][=N][Ring1][=Branch1][C][C][Ring1][=N] | c16ccc2ncsc2c1.N13CCC5CC1.c14cccnn1.O=C36.O45 |
1930413 | O=C(c1cnccn1)N1CCC(Oc2cccnn2)CC1 | [O][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][N][C][C][C][Branch1][#Branch2][O][C][=C][C][=C][N][=N][Ring1][=Branch1][C][C][Ring1][=N] | N13CCC5CC1.c16cnccn1.c14cccnn1.O=C36.O45 |
1930414 | O=C(c1ccc2cc[nH]c2c1)N1CCC(Oc2cccnn2)CC1 | [O][=C][Branch1][=C][C][=C][C][=C][C][=C][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][N][C][C][C][Branch1][#Branch2][O][C][=C][C][=C][N][=N][Ring1][=Branch1][C][C][Ring1][=N] | c16ccc2cc[nH]c2c1.N13CCC5CC1.c14cccnn1.O=C36.O45 |
1930415 | Cc1ccc(OC2CCN(C(=O)c3cnccn3)CC2)nn1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=C][N][=N][Ring2][Ring1][Branch1] | Cc1ccc5nn1.C16CCN4CC1.c17cnccn1.C47=O.O56 |
1930416 | Cc1ccc(OC2CCN(C(=O)c3cc(C)on3)CC2)nn1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][C][Ring1][=C][N][=N][Ring2][Ring1][Branch1] | Cc1ccc5nn1.C16CCN4CC1.c17cc(C)on1.C47=O.O56 |
1930417 | Cc1ccc(OC2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)nn1 | [C][C][=C][C][=C][Branch2][Ring1][=C][O][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][C][Ring1][P][N][=N][Ring2][Ring1][Branch2] | c18ccc2cc[nH]c2c1.Cc1ccc6nn1.C17CCN5CC1.C58=O.O67 |
1930419 | O=C(CC1CCCC1)N1CCC(Oc2nncc3ccccc23)CC1 | [O][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][N][C][C][C][Branch1][S][O][C][=N][N][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring1][P] | c15nncc2ccccc12.N14CCC6CC1.C17CCCC1.O=C4C7.O56 |
1930420 | O=C(C1CC=CCC1)N1CCC(Oc2nncc3ccccc23)CC1 | [O][=C][Branch1][=Branch2][C][C][C][=C][C][C][Ring1][=Branch1][N][C][C][C][Branch1][S][O][C][=N][N][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring1][P] | c15nncc2ccccc12.N14CCC6CC1.C17CC=CCC1.O=C47.O56 |
1930421 | Cc1noc(Cc2ccccc2NC(=O)Cc2c[nH]c3ccccc23)n1 | [C][C][=N][O][C][Branch2][Ring1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=N][Ring2][Ring1][=Branch2] | c18c[nH]c2ccccc12.c17ccccc15.Cc1noc6n1.C4(=O)C8.C67.N45 |
1930422 | Cc1noc(Cc2ccccc2NC(=O)C2CCCCC2)n1 | [C][C][=N][O][C][Branch2][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1] | c17ccccc14.Cc1noc6n1.C15CCCCC1.C35=O.C67.N34 |
1930423 | Cc1csc(C(=O)Nc2ccccc2Cc2nc(C)no2)c1 | [C][C][=C][S][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][C][Branch1][C][C][=N][O][Ring1][=Branch1][=C][Ring2][Ring1][Branch1] | c14ccccc17.Cc1csc5c1.c16nc(C)no1.C35=O.N34.C67 |
1930424 | Cc1noc(Cc2ccccc2NC(=O)c2ccc3[nH]ccc3c2)n1 | [C][C][=N][O][C][Branch2][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][=N][Ring2][Ring1][Branch2] | c16ccc2[nH]ccc2c1.c18ccccc15.Cc1noc7n1.C46=O.C78.N45 |
1930426 | O=C(CC1CC1)Nc1ccccc1Cc1nc(-c2ccco2)no1 | [O][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][O][Ring1][#Branch2] | c14ccccc17.c15nc8no1.c18ccco1.O=C3C6.C16CC1.N34.C57 |
1930427 | CCOC(=O)N1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][NH1][Ring1][O][C][C][Ring2][Ring1][Ring1] | N15CCN6CC1.c18cc9n[nH]1.c19ccccc1.C45=O.C68=O.CC7.O47 |
1930428 | O=C(NCc1cc2ccccn2n1)c1cccc(-n2cnnn2)c1 | [O][=C][Branch1][S][N][C][C][C][=C][C][=C][C][=C][N][Ring1][=Branch1][N][=Ring1][=Branch2][C][=C][C][=C][C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][=C][Ring1][O] | c16cc2ccccn2n1.c15cccc7c1.n17cnnn1.O=C35.N34.C46 |
1930429 | O=C(NCc1cc2ccccn2n1)c1cc2ccccc2[nH]1 | [O][=C][Branch1][S][N][C][C][C][=C][C][=C][C][=C][N][Ring1][=Branch1][N][=Ring1][=Branch2][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c16cc2ccccn2n1.c15cc2ccccc2[nH]1.O=C35.N34.C46 |
1930430 | O=C(NCc1cc2ccccn2n1)c1cc(-c2ccc(F)cc2)n[nH]1 | [O][=C][Branch1][S][N][C][C][C][=C][C][=C][C][=C][N][Ring1][=Branch1][N][=Ring1][=Branch2][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][NH1][Ring1][N] | c16cc2ccccn2n1.c17ccc(F)cc1.c15cc7n[nH]1.O=C35.N34.C46 |
1930431 | O=C(NCc1cc2ccccn2n1)c1cc(-c2ccccc2)n[nH]1 | [O][=C][Branch1][S][N][C][C][C][=C][C][=C][C][=C][N][Ring1][=Branch1][N][=Ring1][=Branch2][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][NH1][Ring1][O] | c16cc2ccccn2n1.c15cc7n[nH]1.c17ccccc1.O=C35.N34.C46 |
1930432 | O=C(CCn1ccc(=O)[nH]c1=O)NCc1cc2ccccn2n1 | [O][=C][Branch1][#C][C][C][N][C][=C][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][N][C][C][C][=C][C][=C][C][=C][N][Ring1][=Branch1][N][=Ring1][=Branch2] | c16cc2ccccn2n1.n15ccc(=O)[nH]c1=O.O=C3CC5.N34.C46 |
1930433 | Cn1nc(-c2ccccc2)cc1C(=O)NCc1cc2ccccn2n1 | [C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][N][Ring1][=Branch1][N][=Ring1][=Branch2] | c16cc2ccccn2n1.Cn1nc7cc15.c17ccccc1.C35=O.N34.C46 |
1930434 | O=C(Cn1cnc2ccccc2c1=O)NCc1cc2ccccn2n1 | [O][=C][Branch1][P][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][N][C][C][C][=C][C][=C][C][=C][N][Ring1][=Branch1][N][=Ring1][=Branch2] | n15cnc2ccccc2c1=O.c16cc2ccccn2n1.O=C3C5.N34.C46 |
1930435 | O=C(NCc1cc2ccccn2n1)c1cc(=O)c2ccccc2o1 | [O][=C][Branch1][S][N][C][C][C][=C][C][=C][C][=C][N][Ring1][=Branch1][N][=Ring1][=Branch2][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O] | c15cc(=O)c2ccccc2o1.c16cc2ccccn2n1.O=C35.N34.C46 |
1930436 | O=C(NCc1cc2ccccn2n1)c1cnccn1 | [O][=C][Branch1][S][N][C][C][C][=C][C][=C][C][=C][N][Ring1][=Branch1][N][=Ring1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1] | c16cc2ccccn2n1.c15cnccn1.O=C35.N34.C46 |
1930437 | COc1ccccc1-c1cc(C(=O)NCc2cc3ccccn3n2)[nH]n1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][N][Ring1][=Branch1][N][=Ring1][=Branch2][NH1][N][=Ring2][Ring1][C] | c18cc2ccccn2n1.c15ccccc19.c19cc7[nH]n1.C47=O.CO5.N46.C68 |
1930439 | Cc1noc(C)c1CC(=O)NCc1cc2ccccn2n1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][N][Ring1][=Branch1][N][=Ring1][=Branch2] | c15cc2ccccn2n1.Cc1noc(C)c16.C6C3=O.N34.C45 |
1930440 | COc1ccc2cc(C(=O)NCc3cc4ccccn4n3)[nH]c2c1 | [C][O][C][=C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][N][Ring1][=Branch1][N][=Ring1][=Branch2][NH1][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | c16ccc2cc8[nH]c2c1.c19cc2ccccn2n1.C58=O.CO6.N57.C79 |
1930441 | O=C(NCCc1ccccc1)NCc1cc2ccccn2n1 | [O][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][=C][C][=C][C][=C][N][Ring1][=Branch1][N][=Ring1][=Branch2] | c17cc2ccccn2n1.c18ccccc1.O=C34.C5C8.N35.N46.C67 |
1930442 | O=C(NCc1ccccc1)NCc1cc2ccccn2n1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][=C][C][=C][C][=C][N][Ring1][=Branch1][N][=Ring1][=Branch2] | c17cc2ccccn2n1.c18ccccc1.O=C34.N35.C58.N46.C67 |
1930443 | O=C(NCc1ccc(Cl)cc1)NCc1cc2ccccn2n1 | [O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][C][=C][C][=C][C][=C][N][Ring1][=Branch1][N][=Ring1][=Branch2] | c17cc2ccccn2n1.c18ccc(Cl)cc1.O=C34.N35.C58.N46.C67 |
1930444 | COc1ccc(CNC(=O)NCc2cc3ccccn3n2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][N][Ring1][=Branch1][N][=Ring1][=Branch2][C][=C][Ring2][Ring1][Branch1][O][C] | c1%10cc2ccccn2n1.c16ccc%11cc17.C45=O.CO6.C8%11.N48.N59.C9%10.O7C |
1930445 | COc1ccc(CCNC(=O)NCc2cc3ccccn3n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][N][Ring1][=Branch1][N][=Ring1][=Branch2][C][=C][Ring2][Ring1][=Branch1] | c19cc2ccccn2n1.c16ccc%10cc1.C%10C7.C45=O.CO6.N47.N58.C89 |
1930446 | O=C(NCc1cc2ccccn2n1)NCc1cccc2ccccc12 | [O][=C][Branch1][S][N][C][C][C][=C][C][=C][C][=C][N][Ring1][=Branch1][N][=Ring1][=Branch2][N][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c18cccc2ccccc12.c17cc2ccccn2n1.O=C34.N35.C57.N46.C68 |
1930447 | COc1ccc(CNC(=O)NCc2cc3ccccn3n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][N][Ring1][=Branch1][N][=Ring1][=Branch2][C][=C][Ring2][Ring1][Branch1] | c19cc2ccccn2n1.c16ccc%10cc1.C45=O.CO6.C7%10.N47.N58.C89 |
1930448 | O=C(NCc1ccc(F)cc1)NCc1cc2ccccn2n1 | [O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][C][=C][C][=C][C][=C][N][Ring1][=Branch1][N][=Ring1][=Branch2] | c17cc2ccccn2n1.c18ccc(F)cc1.O=C34.N35.C58.N46.C67 |
1930449 | O=S(=O)(Cc1ccccc1)NCc1cc2ccccn2n1 | [O][=S][=Branch1][C][=O][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][=C][C][=C][C][=C][N][Ring1][=Branch1][N][=Ring1][=Branch2] | c15cc2ccccn2n1.c16ccccc1.O=S4(=O)C6.N34.C35 |
1930450 | O=S(=O)(Cc1cccc(F)c1)NCc1cc2ccccn2n1 | [O][=S][=Branch1][C][=O][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][C][=C][C][=C][C][=C][N][Ring1][=Branch1][N][=Ring1][=Branch2] | c15cc2ccccn2n1.c16cccc(F)c1.O=S4(=O)C6.N34.C35 |
1930451 | O=S(=O)(Cc1ccc(F)cc1)NCc1cc2ccccn2n1 | [O][=S][=Branch1][C][=O][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][C][C][=C][C][=C][C][=C][N][Ring1][=Branch1][N][=Ring1][=Branch2] | c15cc2ccccn2n1.c16ccc(F)cc1.O=S4(=O)C6.N34.C35 |
1930452 | Cc1cccc(CS(=O)(=O)NCc2cc3ccccn3n2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][N][Ring1][=Branch1][N][=Ring1][=Branch2][=C][Ring2][Ring1][Branch1] | c16cc2ccccn2n1.Cc1cccc7c1.C7S5(=O)=O.N45.C46 |
1930453 | O=C(c1ccno1)N(Cc1cnc2ccccn12)C1CC1 | [O][=C][Branch1][Branch2][C][=C][C][=N][O][Ring1][Branch1][N][Branch1][#C][C][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][C][C][Ring1][Ring1] | c17cnc2ccccn12.c16ccno1.O=C36.N345.C15CC1.C47 |
1930455 | O=C(c1ccc2[nH]cnc2c1)N(Cc1cnc2ccccn12)C1CC1 | [O][=C][Branch1][=C][C][=C][C][=C][NH1][C][=N][C][Ring1][Branch1][=C][Ring1][=Branch2][N][Branch1][#C][C][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][C][C][Ring1][Ring1] | c16ccc2[nH]cnc2c1.c17cnc2ccccn12.O=C36.N345.C15CC1.C47 |
1930456 | O=C(CCc1ccccc1)N(Cc1cnc2ccccn12)C1CC1 | [O][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#C][C][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][C][C][Ring1][Ring1] | c16cnc2ccccn12.c17ccccc1.O=C3CC7.N345.C15CC1.C46 |
1930458 | O=C(Nc1ccccc1)N(Cc1cnc2ccccn12)C1CC1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#C][C][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][C][C][Ring1][Ring1] | c18cnc2ccccn12.c16ccccc1.O=C34.N457.C17CC1.N36.C58 |
1930459 | Cc1cccc(NC(=O)N(Cc2cnc3ccccn23)C2CC2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][N][Branch1][#C][C][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] | c19cnc2ccccn12.Cc1cccc7c1.C45=O.N568.C18CC1.N47.C69 |
1930460 | Cc1ccc(NC(=O)N(Cc2cnc3ccccn23)C2CC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][N][Branch1][#C][C][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch1] | c19cnc2ccccn12.Cc1ccc7cc1.C45=O.N568.C18CC1.N47.C69 |
1930461 | O=C(Nc1ccc(F)cc1)N(Cc1cnc2ccccn12)C1CC1 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Branch1][#C][C][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][C][C][Ring1][Ring1] | c18cnc2ccccn12.c16ccc(F)cc1.O=C34.N457.C17CC1.N36.C58 |
1930462 | COc1cccc(NC(=O)N(Cc2cnc3ccccn23)C2CC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][N][Branch1][#C][C][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] | c1%10cnc2ccccn12.c16cccc8c1.C45=O.N579.C19CC1.CO6.N48.C7%10 |
1930463 | COc1ccc(NC(=O)N(Cc2cnc3ccccn23)C2CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][N][Branch1][#C][C][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch1] | c1%10cnc2ccccn12.c16ccc8cc1.C45=O.N579.C19CC1.CO6.N48.C7%10 |
1930464 | O=C(Nc1c(F)cccc1F)N(Cc1cnc2ccccn12)C1CC1 | [O][=C][Branch1][=C][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][N][Branch1][#C][C][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][C][C][Ring1][Ring1] | c18cnc2ccccn12.c16c(F)cccc1F.O=C34.N457.C17CC1.N36.C58 |
1930465 | Cc1ccccc1NC(=O)N(Cc1cnc2ccccn12)C1CC1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch1][#C][C][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][C][C][Ring1][Ring1] | c18cnc2ccccn12.Cc1ccccc16.C34=O.N457.C17CC1.N36.C58 |
1930466 | O=C(c1ccc[nH]c1=O)N(Cc1cnc2ccccn12)c1ccccc1 | [O][=C][Branch1][#Branch2][C][=C][C][=C][NH1][C][Ring1][=Branch1][=O][N][Branch1][#C][C][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17cnc2ccccn12.c16ccc[nH]c1=O.c15ccccc1.O=C36.N345.C47 |
1930467 | O=C(C1CCC1)N(Cc1cnc2ccccn12)c1ccccc1 | [O][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][N][Branch1][#C][C][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17cnc2ccccn12.c15ccccc1.C16CCC1.O=C36.N345.C47 |
1930468 | O=S(=O)(C1CC1)N(Cc1cnc2ccccn12)c1ccccc1 | [O][=S][=Branch1][C][=O][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Branch1][#C][C][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16cnc2ccccn12.O=S4(=O)C1CC1.c15ccccc1.N345.C36 |
1930469 | CCN(Cc1cnc2ccccn12)C(=O)c1cnn(-c2ccccc2)n1 | [C][C][N][Branch1][#C][C][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][O] | c17cnc2ccccn12.c16cnn8n1.c18ccccc1.N345.C36=O.CC4.C57 |
1930470 | CCN(Cc1cnc2ccccn12)C(=O)Cc1cn(C)c2ccccc12 | [C][C][N][Branch1][#C][C][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c17cn(C)c2ccccc12.c16cnc2ccccn12.C3(=O)C7.N345.CC4.C56 |
1930471 | CCN(Cc1cnc2ccccn12)C(=O)c1ccc2ncsc2c1 | [C][C][N][Branch1][#C][C][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][=C][S][C][Ring1][Branch1][=C][Ring1][=Branch2] | c17cnc2ccccn12.c16ccc2ncsc2c1.N345.C36=O.CC4.C57 |
1930472 | CCN(Cc1cnc2ccccn12)C(=O)Cc1c[nH]c2ccccc12 | [C][C][N][Branch1][#C][C][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | c16cnc2ccccn12.c17c[nH]c2ccccc12.C3(=O)C7.N345.CC4.C56 |
1930473 | CCN(Cc1cnc2ccccn12)C(=O)c1cc(-c2ccccc2)on1 | [C][C][N][Branch1][#C][C][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][=Ring1][O] | c17cnc2ccccn12.c16cc8on1.c18ccccc1.N345.C36=O.CC4.C57 |
1930474 | CCN(Cc1cnc2ccccn12)C(=O)c1cc(C)on1 | [C][C][N][Branch1][#C][C][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1] | c17cnc2ccccn12.c16cc(C)on1.N345.C36=O.CC4.C57 |
1930475 | CCN(Cc1cnc2ccccn12)C(=O)CCSc1ccccc1 | [C][C][N][Branch1][#C][C][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17cnc2ccccn12.c18ccccc1.C3(=O)CC6.N345.CC4.C57.S68 |
1930476 | CCN(Cc1cnc2ccccn12)C(=O)Nc1ccccc1 | [C][C][N][Branch1][#C][C][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c18cnc2ccccn12.c17ccccc1.N356.C34=O.CC5.C68.N47 |
1930477 | CCN(Cc1cnc2ccccn12)C(=O)Nc1cccc(C)c1 | [C][C][N][Branch1][#C][C][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1] | c18cnc2ccccn12.c17cccc(C)c1.N356.C34=O.CC5.C68.N47 |
1930478 | CCN(Cc1cnc2ccccn12)C(=O)Nc1ccc(F)cc1 | [C][C][N][Branch1][#C][C][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c18cnc2ccccn12.c17ccc(F)cc1.N356.C34=O.CC5.C68.N47 |
1930479 | CCN(Cc1cnc2ccccn12)C(=O)Nc1cccc(OC)c1 | [C][C][N][Branch1][#C][C][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2] | c19cnc2ccccn12.c18cccc5c1.N367.C34=O.CC6.C79.N48.O5C |
1930480 | CCN(Cc1cnc2ccccn12)C(=O)Nc1ccccc1OC | [C][C][N][Branch1][#C][C][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] | c19cnc2ccccn12.c18ccccc15.N367.C34=O.CC6.C79.N48.O5C |
1930481 | CCN(Cc1cnc2ccccn12)C(=O)Nc1ccc(OC)cc1 | [C][C][N][Branch1][#C][C][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | c19cnc2ccccn12.c18ccc5cc1.N367.C34=O.CC6.C79.N48.O5C |
1930482 | CCOc1ccc(NC(=O)N(CC)Cc2cnc3ccccn23)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | c1%11cnc2ccccn12.c17ccc%10cc1.C45=O.N589.CC6.O67.N4%10.C8C.C9%11 |
1930483 | CCN(Cc1cnc2ccccn12)C(=O)Nc1c(F)cccc1F | [C][C][N][Branch1][#C][C][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F] | c18cnc2ccccn12.c17c(F)cccc1F.N356.C34=O.CC5.C68.N47 |
1930484 | CCN(Cc1cnc2ccccn12)C(=O)Nc1ccccc1F | [C][C][N][Branch1][#C][C][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c18cnc2ccccn12.c17ccccc1F.N356.C34=O.CC5.C68.N47 |
1930485 | CCN(Cc1cnc2ccccn12)C(=O)Nc1ccccc1C | [C][C][N][Branch1][#C][C][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C] | c18cnc2ccccn12.c17ccccc1C.N356.C34=O.CC5.C68.N47 |
1930486 | CSc1ccc(C(O)CNC(=O)c2cnccn2)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][Ring1][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c17ccc6cc1.c15cnccn1.C6(O)C4.C35=O.CS7.N34 |
1930487 | CSc1ccc(C(O)CNC(=O)CCc2c(C)noc2C)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][Branch2][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][=C][Ring2][Ring1][Branch1] | c17ccc5cc1.c16c(C)noc1C.C3(=O)CC6.C5(O)C4.CS7.N34 |
1930488 | CSc1ccc(C(O)CNC(=O)C2(c3cccs3)CC2)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][=Branch2][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2] | c18ccc7cc1.c19cccs1.C7(O)C5.C169CC1.C46=O.CS8.N45 |
1930489 | CSc1ccc(C(O)CNC(=O)C2(c3ccc(F)cc3)CC2)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][=N][C][Branch1][C][O][C][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#Branch2][C][=C][Ring2][Ring1][=Branch1] | c18ccc7cc1.c19ccc(F)cc1.C7(O)C5.C169CC1.C46=O.CS8.N45 |
1930490 | CSc1ccc(C(O)CNC(=O)Nc2ccccc2)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][Ring2][C][Branch1][C][O][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c18ccc7cc1.c16ccccc1.C7(O)C5.C34=O.CS8.N35.N46 |
1930492 | CSc1ccc(C(O)CNC(=O)Nc2ccccc2F)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][Branch1][C][Branch1][C][O][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][Ring2] | c18ccc7cc1.c16ccccc1F.C7(O)C5.C34=O.CS8.N35.N46 |
1930493 | CSc1ccc(C(O)CNC(=O)NCCc2ccccc2)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][=Branch1][C][Branch1][C][O][C][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c19ccc7cc1.c18ccccc1.C7(O)C5.C34=O.C6C8.CS9.N35.N46 |
1930494 | COc1ccc(NC(=O)NCC(O)c2ccc(SC)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Branch1] | c15ccc7cc1.c18ccc9cc1.C6C8O.C34=O.CO5.N37.N46.S9C |
1930495 | COc1ccccc1NC(=O)NCC(O)c1ccc(SC)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2] | c14ccccc16.c17ccc8cc1.C5C7O.C23=O.CO4.N26.N35.S8C |
1930496 | CSc1ccc(C(O)CNC(=O)Nc2ccc(Cl)cc2)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][C][O][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] | c18ccc7cc1.c16ccc(Cl)cc1.C7(O)C5.C34=O.CS8.N35.N46 |
1930497 | CSc1ccc(C(O)CNC(=O)Nc2cccc(Cl)c2)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][C][O][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] | c18ccc7cc1.c16cccc(Cl)c1.C7(O)C5.C34=O.CS8.N35.N46 |
1930498 | CSc1ccc(C(O)CNC(=O)Nc2c(F)cccc2F)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][Branch2][C][Branch1][C][O][C][N][C][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][=C][Ring2][Ring1][Branch1] | c16c(F)cccc1F.c18ccc7cc1.C7(O)C5.C34=O.CS8.N35.N46 |
1930499 | CCOc1ccc(NC(=O)NCC(O)c2ccc(SC)cc2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Branch1] | c16ccc8cc1.c19ccc%10cc1.C7C9O.C34=O.CC5.O56.N38.N47.S%10C |
1930500 | CCOc1ccccc1NC(=O)NCC(O)c1ccc(SC)cc1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2] | c15ccccc17.c18ccc9cc1.C6C8O.C23=O.CC4.O45.N27.N36.S9C |
1930501 | COC(CNC(=O)c1cc(C)oc1C)c1ccsc1 | [C][O][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][C][=Ring1][=Branch1][C][C][C][=C][S][C][=Ring1][Branch1] | c15cc(C)oc1C.c16ccsc1.C36C4.C25=O.CO3.N24 |
1930502 | COC(CNC(=O)NC1CCCCC1)c1ccsc1 | [C][O][C][Branch1][S][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][=C][S][C][=Ring1][Branch1] | C16CCCCC1.c17ccsc1.C47C5.C23=O.CO4.N25.N36 |
1930503 | O=C(c1ccno1)N1CCC(S(=O)(=O)c2ccccc2)C1 | [O][=C][Branch1][Branch2][C][=C][C][=N][O][Ring1][Branch1][N][C][C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C] | N13CCC(S(=O)(=O)c2ccccc2)C1.c14ccno1.O=C34 |
1930504 | CCCCC1CCC(C(=O)N2Cc3cncnc3C2)CC1 | [C][C][C][C][C][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][N][=C][N][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][C][Ring1][P] | N14Cc2cncnc2C1.C16CCC5CC1.CCCC6.C45=O |
1930505 | O=C(CC(c1ccccc1)c1ccccc1)N1Cc2cncnc2C1 | [O][=C][Branch2][Ring1][Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][N][=C][N][=C][Ring1][=Branch1][C][Ring1][=Branch2] | N13Cc2cncnc2C1.O=C3CC45.c14ccccc1.c15ccccc1 |
1930506 | Cc1ccc(S(=O)(=O)N2Cc3cncnc3C2)s1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][N][=C][N][=C][Ring1][=Branch1][C][Ring1][=Branch2][S][Ring1][P] | Cc1ccc(S4(=O)=O)s1.N14Cc2cncnc2C1 |
1930508 | O=C(NCCOc1ccccc1)N1Cc2cncnc2C1 | [O][=C][Branch1][=N][N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][N][=C][N][=C][Ring1][=Branch1][C][Ring1][=Branch2] | N14Cc2cncnc2C1.c16ccccc1.O=C34.C7C5.N37.O56 |
1930509 | O=C(c1ccccn1)N1CCCC1CS(=O)(=O)c1ccccc1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | C4S(=O)(=O)c1ccccc1.c13ccccn1.N12CCCC14.O=C23 |
1930510 | O=C(CC1CCCC1)N1CCCC1CS(=O)(=O)c1ccccc1 | [O][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][Branch1][N][C][C][C][C][Ring1][Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | C3S(=O)(=O)c1ccccc1.N12CCCC13.C14CCCC1.O=C2C4 |
1930511 | O=C1CC2(CCN(C(=O)C3CC3)C2)Oc2ccccc21 | [O][=C][C][C][Branch2][Ring1][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][Ring1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | O=C1CC2(CCN4C2)Oc2ccccc21.C45=O.C15CC1 |
1930512 | O=C1CC2(CCN(C(=O)Cc3cccs3)C2)Oc2ccccc21 | [O][=C][C][C][Branch2][Ring1][Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1][C][Ring1][=N][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | O=C1CC2(CCN4C2)Oc2ccccc21.c15cccs1.C4(=O)C5 |
1930513 | O=C1CC2(CCN(C(=O)c3ccc4cc[nH]c4c3)C2)Oc2ccccc21 | [O][=C][C][C][Branch2][Ring1][O][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][Ring1][S][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch2] | O=C1CC2(CCN5C2)Oc2ccccc21.c16ccc2cc[nH]c2c1.C56=O |
1930514 | O=C1CC2(CCN(C(=O)C3CCCO3)C2)Oc2ccccc21 | [O][=C][C][C][Branch2][Ring1][Ring2][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][Ring1][N][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | O=C1CC2(CCN4C2)Oc2ccccc21.C15CCCO1.C45=O |
1930515 | O=C1CC2(CCN(C(=O)Cn3ncccc3=O)C2)Oc2ccccc21 | [O][=C][C][C][Branch2][Ring1][#Branch1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][N][N][=C][C][=C][C][Ring1][=Branch1][=O][C][Ring1][#C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch2] | O=C1CC2(CCN4C2)Oc2ccccc21.n15ncccc1=O.C4(=O)C5 |
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