ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
48459 | O=C(C1CCCCC1)N1CCc2nc3ccccn3c(=O)c2C1 | [O][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][C][Ring1][#C] | N14CCc2nc3ccccn3c(=O)c2C1.C15CCCCC1.O=C45 |
48460 | O=C(N1CCOCC1)N1CCc2nc3ccccn3c(=O)c2C1 | [O][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][N][C][C][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][C][Ring1][#C] | N15CCc2nc3ccccn3c(=O)c2C1.N14CCOCC1.O=C45 |
48461 | O=C(c1ccccc1)N1CCc2nc3ccccn3c(=O)c2C1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][C][Ring1][#C] | N14CCc2nc3ccccn3c(=O)c2C1.c15ccccc1.O=C45 |
48462 | O=C(c1cccs1)N1CCc2nc3ccccn3c(=O)c2C1 | [O][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][C][Ring1][#C] | N14CCc2nc3ccccn3c(=O)c2C1.c15cccs1.O=C45 |
48463 | O=C(c1ccco1)N1CCc2nc3ccccn3c(=O)c2C1 | [O][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][C][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][C][Ring1][#C] | N14CCc2nc3ccccn3c(=O)c2C1.c15ccco1.O=C45 |
48464 | O=C(c1c(F)cccc1F)N1CCc2nc3ccccn3c(=O)c2C1 | [O][=C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][N][C][C][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][C][Ring1][#C] | N14CCc2nc3ccccn3c(=O)c2C1.c15c(F)cccc1F.O=C45 |
48465 | Cc1ccccc1C(=O)N1CCc2nc3ccccn3c(=O)c2C1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][C][Ring1][#C] | N14CCc2nc3ccccn3c(=O)c2C1.Cc1ccccc15.C45=O |
48466 | CCC(=O)N1CCc2nc3ccccn3c(=O)c2C1 | [C][C][C][=Branch1][C][=O][N][C][C][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][C][Ring1][#C] | N14CCc2nc3ccccn3c(=O)c2C1.CCC4=O |
48467 | Cc1cccn2c(=O)c3c(nc12)CCN(C(=O)C(C)(C)C)C3 | [C][C][=C][C][=C][N][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][=C][Ring1][O][Ring1][#Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=C] | Cc1cccn2c(=O)c3c(nc12)CCN4C3.C4(=O)C(C)(C)C |
48468 | CC(=O)N1CCc2nc3c(C)cccn3c(=O)c2C1 | [C][C][=Branch1][C][=O][N][C][C][C][N][=C][C][Branch1][C][C][=C][C][=C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][N][C][Ring1][S] | N14CCc2nc3c(C)cccn3c(=O)c2C1.CC4=O |
48469 | Cc1cccn2c(=O)c3c(nc12)CCN(C(=O)Cc1ccccc1)C3 | [C][C][=C][C][=C][N][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][=C][Ring1][O][Ring1][#Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P] | Cc1cccn2c(=O)c3c(nc12)CCN4C3.c15ccccc1.C4(=O)C5 |
48470 | Cc1cccn2c(=O)c3c(nc12)CCN(C(=O)C1CCCCC1)C3 | [C][C][=C][C][=C][N][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][=C][Ring1][O][Ring1][#Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][S] | Cc1cccn2c(=O)c3c(nc12)CCN4C3.C15CCCCC1.C45=O |
48471 | Cc1cccn2c(=O)c3c(nc12)CCN(C(=O)CC(C)C)C3 | [C][C][=C][C][=C][N][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][=C][Ring1][O][Ring1][#Branch1][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][Ring1][=C] | Cc1cccn2c(=O)c3c(nc12)CCN4C3.C4(=O)CC(C)C |
48472 | Cc1cccn2c(=O)c3c(nc12)CCN(C(=O)N1CCOCC1)C3 | [C][C][=C][C][=C][N][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][=C][Ring1][O][Ring1][#Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][S] | Cc1cccn2c(=O)c3c(nc12)CCN4C3.N15CCOCC1.C45=O |
48473 | Cc1cccn2c(=O)c3c(nc12)CCN(C(=O)c1ccccc1)C3 | [C][C][=C][C][=C][N][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][=C][Ring1][O][Ring1][#Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S] | Cc1cccn2c(=O)c3c(nc12)CCN4C3.c15ccccc1.C45=O |
48474 | Cc1cccn2c(=O)c3c(nc12)CCN(C(=O)c1cccs1)C3 | [C][C][=C][C][=C][N][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][=C][Ring1][O][Ring1][#Branch1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][Ring1][#C] | Cc1cccn2c(=O)c3c(nc12)CCN4C3.c15cccs1.C45=O |
48475 | Cc1ccccc1C(=O)N1CCc2nc3c(C)cccn3c(=O)c2C1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][N][=C][C][Branch1][C][C][=C][C][=C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][N][C][Ring1][S] | N14CCc2nc3c(C)cccn3c(=O)c2C1.Cc1ccccc15.C45=O |
48476 | CCC(=O)N1CCc2nc3c(C)cccn3c(=O)c2C1 | [C][C][C][=Branch1][C][=O][N][C][C][C][N][=C][C][Branch1][C][C][=C][C][=C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][N][C][Ring1][S] | N14CCc2nc3c(C)cccn3c(=O)c2C1.CCC4=O |
48477 | Cc1cccc2nc3c(c(=O)n12)CN(C(=O)C(C)(C)C)CC3 | [C][C][=C][C][=C][C][=N][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Ring1][O][Ring1][#Branch1][C][N][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][#C] | Cc1cccc2nc3c(c(=O)n12)CN4CC3.C4(=O)C(C)(C)C |
48478 | CC(=O)N1CCc2nc3cccc(C)n3c(=O)c2C1 | [C][C][=Branch1][C][=O][N][C][C][C][N][=C][C][=C][C][=C][Branch1][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][N][C][Ring1][S] | N14CCc2nc3cccc(C)n3c(=O)c2C1.CC4=O |
48479 | Cc1cccc2nc3c(c(=O)n12)CN(C(=O)Cc1ccccc1)CC3 | [C][C][=C][C][=C][C][=N][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Ring1][O][Ring1][#Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][C] | Cc1cccc2nc3c(c(=O)n12)CN4CC3.c15ccccc1.C4(=O)C5 |
48480 | Cc1cccc2nc3c(c(=O)n12)CN(C(=O)CC(C)C)CC3 | [C][C][=C][C][=C][C][=N][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Ring1][O][Ring1][#Branch1][C][N][Branch1][O][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][C][Ring1][#C] | Cc1cccc2nc3c(c(=O)n12)CN4CC3.C4(=O)CC(C)C |
48481 | Cc1cccc2nc3c(c(=O)n12)CN(C(=O)N1CCOCC1)CC3 | [C][C][=C][C][=C][C][=N][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Ring1][O][Ring1][#Branch1][C][N][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][P] | Cc1cccc2nc3c(c(=O)n12)CN4CC3.N15CCOCC1.C45=O |
48482 | Cc1cccc2nc3c(c(=O)n12)CN(C(=O)c1ccccc1)CC3 | [C][C][=C][C][=C][C][=N][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Ring1][O][Ring1][#Branch1][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][P] | Cc1cccc2nc3c(c(=O)n12)CN4CC3.c15ccccc1.C45=O |
48483 | Cc1cccc2nc3c(c(=O)n12)CN(C(=O)c1cccs1)CC3 | [C][C][=C][C][=C][C][=N][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Ring1][O][Ring1][#Branch1][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][S] | Cc1cccc2nc3c(c(=O)n12)CN4CC3.c15cccs1.C45=O |
48484 | Cc1cccc2nc3c(c(=O)n12)CN(C(=O)c1ccco1)CC3 | [C][C][=C][C][=C][C][=N][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Ring1][O][Ring1][#Branch1][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][S] | Cc1cccc2nc3c(c(=O)n12)CN4CC3.c15ccco1.C45=O |
48485 | Cc1ccccc1C(=O)N1CCc2nc3cccc(C)n3c(=O)c2C1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][N][=C][C][=C][C][=C][Branch1][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][N][C][Ring1][S] | N14CCc2nc3cccc(C)n3c(=O)c2C1.Cc1ccccc15.C45=O |
48486 | CCC(=O)N1CCc2nc3cccc(C)n3c(=O)c2C1 | [C][C][C][=Branch1][C][=O][N][C][C][C][N][=C][C][=C][C][=C][Branch1][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][N][C][Ring1][S] | N14CCc2nc3cccc(C)n3c(=O)c2C1.CCC4=O |
48487 | O=C(Nc1ccccc1)N1CCc2nc3ccccn3c(=O)c2C1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][C][Ring1][#C] | N15CCc2nc3ccccn3c(=O)c2C1.c16ccccc1.O=C45.N46 |
48489 | O=C(NC1CCCCC1)N1CCc2nc3ccccn3c(=O)c2C1 | [O][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][C][Ring1][#C] | N15CCc2nc3ccccn3c(=O)c2C1.C16CCCCC1.O=C45.N46 |
48490 | CC(C)(C)NC(=O)N1CCc2nc3ccccn3c(=O)c2C1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][C][Ring1][#C] | N15CCc2nc3ccccn3c(=O)c2C1.CC6(C)C.C45=O.N46 |
48491 | O=C(Nc1cccc(F)c1)N1CCc2nc3ccccn3c(=O)c2C1 | [O][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][C][Ring1][#C] | N15CCc2nc3ccccn3c(=O)c2C1.c16cccc(F)c1.O=C45.N46 |
48492 | Cc1cccn2c(=O)c3c(nc12)CCN(C(=O)Nc1ccccc1)C3 | [C][C][=C][C][=C][N][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][=C][Ring1][O][Ring1][#Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P] | Cc1cccn2c(=O)c3c(nc12)CCN4C3.c16ccccc1.C45=O.N56 |
48493 | Cc1cccn2c(=O)c3c(nc12)CCN(C(=O)NC(C)(C)C)C3 | [C][C][=C][C][=C][N][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][N][=C][Ring1][O][Ring1][#Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][#C] | Cc1cccn2c(=O)c3c(nc12)CCN4C3.C6(C)(C)C.C45=O.N56 |
48494 | Cc1cccc2nc3c(c(=O)n12)CN(C(=O)Nc1ccccc1)CC3 | [C][C][=C][C][=C][C][=N][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Ring1][O][Ring1][#Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][C] | Cc1cccc2nc3c(c(=O)n12)CN4CC3.c16ccccc1.C45=O.N56 |
48495 | Cc1cccc2nc3c(c(=O)n12)CN(C(=O)NC1CCCCC1)CC3 | [C][C][=C][C][=C][C][=N][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Ring1][O][Ring1][#Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][C] | Cc1cccc2nc3c(c(=O)n12)CN4CC3.C16CCCCC1.C45=O.N56 |
48496 | Cc1cccc2nc3c(c(=O)n12)CN(C(=O)NC(C)(C)C)CC3 | [C][C][=C][C][=C][C][=N][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Ring1][O][Ring1][#Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][S] | Cc1cccc2nc3c(c(=O)n12)CN4CC3.C6(C)(C)C.C45=O.N56 |
48498 | COc1ccc2c3c(c(=O)oc2c1)CN(C(=O)c1cccs1)CC3 | [C][O][C][=C][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring2][Ring1][C] | c15ccc2c3c(c(=O)oc2c1)CN4CC3.c16cccs1.C46=O.CO5 |
48500 | COc1ccc2c3c(c(=O)oc2c1)CN(C(=O)c1ccco1)CC3 | [C][O][C][=C][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring2][Ring1][C] | c15ccc2c3c(c(=O)oc2c1)CN4CC3.c16ccco1.C46=O.CO5 |
48501 | O=C(NC1CC1)c1ccc2cncc(-c3ccsc3)c2n1 | [O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=N][C][=C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][C][Ring1][O][=N][Ring1][#C] | c16ccc2cncc7c2n1.c17ccsc1.O=C46.C15CC1.N45 |
48502 | O=C(NC1CC1)c1ccc2cncc(-c3cc4ccccc4o3)c2n1 | [O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=N][C][=C][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][Ring1][#C][=N][Ring2][Ring1][Ring1] | c17ccc2cncc8c2n1.c18cc2ccccc2o1.O=C57.C16CC1.N56 |
48503 | O=C(c1ccc2cncc(-c3ccccc3)c2n1)N1CCC(O)CC1 | [O][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=N][Ring1][S][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1] | c15ccc2cncc6c2n1.N14CCC(O)CC1.c16ccccc1.O=C45 |
48504 | O=C(NC1CC1)c1ccc2cncc(-c3ccccc3)c2n1 | [O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=N][Ring1][S] | c16ccc2cncc7c2n1.c17ccccc1.O=C46.C15CC1.N45 |
48505 | Cc1cnc(CNc2nc3ccccc3n3ccnc23)cn1 | [C][C][=C][N][=C][Branch2][Ring1][=Branch1][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][N][=C][Ring1][=N][Ring1][Branch1][C][=N][Ring2][Ring1][Branch1] | c15nc2ccccc2n2ccnc12.Cc1cnc6cn1.C46.N45 |
48506 | c1ccc2c(c1)nc(N1CCOCC1)c1nccn12 | [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=N][C][=C][N][Ring1][Branch1][Ring1][S] | c1ccc2c(c1)nc3c1nccn12.N13CCOCC1 |
48508 | CC1CN(c2nc3ccccc3n3ccnc23)CC(C)O1 | [C][C][C][N][Branch2][Ring1][Ring2][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][N][=C][Ring1][=N][Ring1][Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][Ring2] | c14nc2ccccc2n2ccnc12.CC1CN4CC(C)O1 |
48509 | c1ccc2c(c1)nc(NCC1CCCO1)c1nccn12 | [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][=N][C][=C][N][Ring1][Branch1][Ring1][P] | c1ccc2c(c1)nc4c1nccn12.C15CCCO1.N34.C35 |
48510 | O=C1CCN(c2nc3ccccc3n3ccnc23)CCN1 | [O][=C][C][C][N][Branch2][Ring1][Ring2][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][N][=C][Ring1][=N][Ring1][Branch1][C][C][N][Ring2][Ring1][Ring2] | c14nc2ccccc2n2ccnc12.O=C1CCN4CCN1 |
48511 | CS(=O)(=O)c1ccc2c(c1)nc(N1CCCC1)c1nccn12 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][=N][C][=C][N][Ring1][Branch1][Ring1][#C] | CS(=O)(=O)c1ccc2c(c1)nc3c1nccn12.N13CCCC1 |
48512 | CCN(CC)c1nc2cc(S(C)(=O)=O)ccc2n2ccnc12 | [C][C][N][Branch1][Ring1][C][C][C][=N][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][N][C][=C][N][=C][Ring1][P][Ring1][Branch1] | c15nc2cc(S(C)(=O)=O)ccc2n2ccnc12.N345.CC3.C4C |
48513 | CS(=O)(=O)c1ccc2c(c1)nc(N1CCOCC1)c1nccn12 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=N][C][=C][N][Ring1][Branch1][Ring1][S] | CS(=O)(=O)c1ccc2c(c1)nc3c1nccn12.N13CCOCC1 |
48514 | CS(=O)(=O)c1ccc2c(c1)nc(N1CCCCC1)c1nccn12 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=N][C][=C][N][Ring1][Branch1][Ring1][S] | CS(=O)(=O)c1ccc2c(c1)nc3c1nccn12.N13CCCCC1 |
48515 | CS(=O)(=O)c1ccc2c(c1)nc(N1CCC(O)CC1)c1nccn12 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][N][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][=N][C][=C][N][Ring1][Branch1][Ring1][P] | CS(=O)(=O)c1ccc2c(c1)nc3c1nccn12.N13CCC(O)CC1 |
48516 | CS(=O)(=O)c1ccc2c(c1)nc(NCc1ccco1)c1nccn12 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=N][C][=C][N][Ring1][Branch1][Ring1][P] | CS(=O)(=O)c1ccc2c(c1)nc4c1nccn12.c15ccco1.N34.C35 |
48517 | Cc1cnc(CNc2nc3cc(F)ccc3n3ccnc23)cn1 | [C][C][=C][N][=C][Branch2][Ring1][=Branch2][C][N][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=C][N][=C][Ring1][=C][Ring1][Branch1][C][=N][Ring2][Ring1][=Branch1] | c15nc2cc(F)ccc2n2ccnc12.Cc1cnc6cn1.C46.N45 |
48518 | Fc1ccc2c(c1)nc(N1CCCC1)c1nccn12 | [F][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][=N][C][=C][N][Ring1][Branch1][Ring1][#C] | Fc1ccc2c(c1)nc3c1nccn12.N13CCCC1 |
48519 | Fc1ccc2c(c1)nc(NCc1ccncc1)c1nccn12 | [F][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=N][C][=C][N][Ring1][Branch1][Ring2][Ring1][C] | Fc1ccc2c(c1)nc4c1nccn12.c15ccncc1.N34.C35 |
48520 | Fc1ccc2c(c1)nc(N1CCOCC1)c1nccn12 | [F][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=N][C][=C][N][Ring1][Branch1][Ring1][S] | Fc1ccc2c(c1)nc3c1nccn12.N13CCOCC1 |
48521 | Fc1ccc2c(c1)nc(N1CCCCC1)c1nccn12 | [F][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=N][C][=C][N][Ring1][Branch1][Ring1][S] | Fc1ccc2c(c1)nc3c1nccn12.N13CCCCC1 |
48522 | OC1CCN(c2nc3cc(F)ccc3n3ccnc23)CC1 | [O][C][C][C][N][Branch2][Ring1][#Branch1][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=C][N][=C][Ring1][=C][Ring1][Branch1][C][C][Ring2][Ring1][Ring2] | c14nc2cc(F)ccc2n2ccnc12.OC1CCN4CC1 |
48523 | Fc1ccc2c(c1)nc(NCc1ccccc1)c1nccn12 | [F][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][N][Ring1][Branch1][Ring2][Ring1][C] | Fc1ccc2c(c1)nc4c1nccn12.c15ccccc1.N34.C35 |
48524 | Fc1ccc2c(c1)nc(NCc1ccco1)c1nccn12 | [F][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=N][C][=C][N][Ring1][Branch1][Ring1][P] | Fc1ccc2c(c1)nc4c1nccn12.c15ccco1.N34.C35 |
48525 | Fc1ccc2c(c1)nc(NCC1CCCO1)c1nccn12 | [F][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][C][=N][C][=C][N][Ring1][Branch1][Ring1][P] | Fc1ccc2c(c1)nc4c1nccn12.C15CCCO1.N34.C35 |
48526 | O=C1CCN(c2nc3cc(F)ccc3n3ccnc23)CCN1 | [O][=C][C][C][N][Branch2][Ring1][#Branch1][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=C][N][=C][Ring1][=C][Ring1][Branch1][C][C][N][Ring2][Ring1][Branch1] | c14nc2cc(F)ccc2n2ccnc12.O=C1CCN4CCN1 |
48527 | c1ccc2c(c1)nc(NCc1ccncc1)c1nc3ccccc3n12 | [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][Ring2][Ring1][=Branch1] | c1ccc2c(c1)nc5c1nc3ccccc3n12.c16ccncc1.N45.C46 |
48528 | c1ccc2c(c1)nc(N1CCOCC1)c1nc3ccccc3n12 | [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][Ring2][Ring1][Ring2] | c1ccc2c(c1)nc4c1nc3ccccc3n12.N14CCOCC1 |
48529 | Cc1cnc(CNc2nc3ccccc3n3c(C)ncc23)cn1 | [C][C][=C][N][=C][Branch2][Ring1][=Branch2][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][=N][C][=C][Ring1][=C][Ring1][=Branch1][C][=N][Ring2][Ring1][=Branch1] | c15nc2ccccc2n2c(C)ncc12.Cc1cnc6cn1.C46.N45 |
48530 | Cc1ncc2c(N3CCCC3)nc3ccccc3n12 | [C][C][=N][C][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C][Ring1][#C] | Cc1ncc2c4nc3ccccc3n12.N14CCCC1 |
48532 | Cc1ncc2c(NCc3ccncc3)nc3ccccc3n12 | [C][C][=N][C][=C][C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Branch1][Ring2][Ring1][C] | Cc1ncc2c5nc3ccccc3n12.c16ccncc1.N45.C46 |
48533 | Cc1ncc2c(N3CCOCC3)nc3ccccc3n12 | [C][C][=N][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][Ring1][S] | Cc1ncc2c4nc3ccccc3n12.N14CCOCC1 |
48534 | Cc1ncc2c(N3CCCCC3)nc3ccccc3n12 | [C][C][=N][C][=C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][Ring1][S] | Cc1ncc2c4nc3ccccc3n12.N14CCCCC1 |
48535 | Cc1ncc2c(N3CCC(O)CC3)nc3ccccc3n12 | [C][C][=N][C][=C][C][Branch1][N][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring2][Ring1][P] | Cc1ncc2c4nc3ccccc3n12.N14CCC(O)CC1 |
48536 | Cc1ncc2c(NCc3ccccc3)nc3ccccc3n12 | [C][C][=N][C][=C][C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Branch1][Ring2][Ring1][C] | Cc1ncc2c5nc3ccccc3n12.c16ccccc1.N45.C46 |
48537 | Cc1ncc2c(N3CCNC(=O)CC3)nc3ccccc3n12 | [C][C][=N][C][=C][C][Branch1][=N][N][C][C][N][C][=Branch1][C][=O][C][C][Ring1][Branch2][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Branch1][Ring2][Ring1][C] | Cc1ncc2c4nc3ccccc3n12.N14CCNC(=O)CC1 |
48538 | Cc1ncc2c(Nc3ccncc3)nc3ccccc3n12 | [C][C][=N][C][=C][C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring2][Ring1][P] | Cc1ncc2c4nc3ccccc3n12.c15ccncc1.N45 |
48539 | C=CCn1ccc2nc(N3CCOCC3)nc(N3CCOCC3)c21 | [C][=C][C][N][C][=C][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring2][Ring1][C][Ring2][Ring1][Branch1] | n16ccc2nc4nc5c21.N14CCOCC1.N15CCOCC1.C=CC6 |
48541 | CC(C)=CCN1CCN(c2cccc(S(C)(=O)=O)c2)C1=O | [C][C][Branch1][C][C][=C][C][N][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][#Branch2][C][Ring1][#C][=O] | c15cccc(S(C)(=O)=O)c1.N14CCN5C1=O.CC=3C.C=3C4 |
48542 | C=CCN1CCN(c2cccc(S(C)(=O)=O)c2)C1=O | [C][=C][C][N][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][#Branch2][C][Ring1][#C][=O] | c14cccc(S(C)(=O)=O)c1.N13CCN4C1=O.C=CC3 |
48544 | CS(=O)(=O)c1cccc(N2CCN(CC3CCCCO3)C2=O)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][C][N][Branch1][#Branch2][C][C][C][C][C][C][O][Ring1][=Branch1][C][Ring1][N][=O][=C][Ring2][Ring1][Ring1] | CS(=O)(=O)c1cccc6c1.N16CCN4C1=O.C15CCCCO1.C45 |
48545 | CS(=O)(=O)c1cccc(N2CCN(Cc3cccnc3)C2=O)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][N][=O][=C][Ring2][Ring1][Ring1] | CS(=O)(=O)c1cccc6c1.N16CCN4C1=O.c15cccnc1.C45 |
48546 | O=C1N(Cc2ccc(F)cc2)CCN1c1ccc(C(F)(F)F)cn1 | [O][=C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][N][Ring1][=N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2] | O=C1N3CCN16.c14ccc(F)cc1.c16ccc5cn1.C5(F)(F)F.C34 |
48547 | C=CCN1CCN(c2ccc(C(F)(F)F)cn2)C1=O | [C][=C][C][N][C][C][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][C][Ring1][#C][=O] | N13CCN5C1=O.c15ccc4cn1.C4(F)(F)F.C=CC3 |
48548 | O=C1N(CC2CC2)CCN1c1ccc(C(F)(F)F)cn1 | [O][=C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][C][N][Ring1][=Branch2][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2] | O=C1N3CCN16.c16ccc5cn1.C5(F)(F)F.C14CC1.C34 |
48549 | O=C1N(CC2CCCCO2)CCN1c1ccc(C(F)(F)F)cn1 | [O][=C][N][Branch1][#Branch2][C][C][C][C][C][C][O][Ring1][=Branch1][C][C][N][Ring1][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2] | O=C1N3CCN16.c16ccc5cn1.C14CCCCO1.C5(F)(F)F.C34 |
48550 | O=C1N(Cc2cccnc2)CCN1c1ccc(C(F)(F)F)cn1 | [O][=C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][N][Ring1][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2] | O=C1N3CCN16.c16ccc5cn1.c14cccnc1.C5(F)(F)F.C34 |
48551 | O=C1N(Cc2ccccc2)CCN1c1ccc(F)cc1F | [O][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c15ccc(F)cc1F.O=C1N3CCN15.c14ccccc1.C34 |
48552 | O=C1N(Cc2cccnc2)CCN1c1ccc(F)cc1F | [O][=C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][N][Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c15ccc(F)cc1F.O=C1N3CCN15.c14cccnc1.C34 |
48553 | Cc1c(N2CCN(Cc3cccnc3)C2=O)cccc1C(F)(F)F | [C][C][=C][Branch2][Ring1][Ring2][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][N][=O][C][=C][C][=C][Ring2][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F] | Cc1c6cccc17.N17CCN4C1=O.c15cccnc1.C6(F)(F)F.C45 |
48554 | COc1ccc(N2CCN(Cc3ccccc3)C2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring1] | c14ccc7cc1.N17CCN5C1=O.c16ccccc1.CO4.C56 |
48557 | COc1ccc(N2CCN(CC3CCCCO3)C2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][C][N][Branch1][#Branch2][C][C][C][C][C][C][O][Ring1][=Branch1][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring1] | c14ccc7cc1.N17CCN5C1=O.C16CCCCO1.CO4.C56 |
48558 | COc1ccc(N2CCN(Cc3cccnc3)C2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring1] | c14ccc7cc1.N17CCN5C1=O.c16cccnc1.CO4.C56 |
48559 | CC(C)c1ccc(N2CCN(Cc3cccnc3)C2=O)cc1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring1] | c15ccc7cc1.N17CCN4C1=O.c16cccnc1.CC5C.C46 |
48560 | O=C1N(Cc2ccccc2)CCN1c1ccc2c(c1)OCO2 | [O][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Ring1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.O=C1N3CCN15.c14ccccc1.C34 |
48561 | CC(C)=CCN1CCN(c2ccc3c(c2)OCO3)C1=O | [C][C][Branch1][C][C][=C][C][N][C][C][N][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][Ring1][=C][=O] | c16ccc2c(c1)OCO2.N15CCN6C1=O.CC=4C.C=4C5 |
48563 | O=C1N(CC2CCCCO2)CCN1c1ccc2c(c1)OCO2 | [O][=C][N][Branch1][#Branch2][C][C][C][C][C][C][O][Ring1][=Branch1][C][C][N][Ring1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.O=C1N3CCN15.C14CCCCO1.C34 |
48564 | O=C1N(Cc2cccnc2)CCN1c1ccc2c(c1)OCO2 | [O][=C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][N][Ring1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.O=C1N3CCN15.c14cccnc1.C34 |
48566 | O=C1N(CC2CCCCO2)CCN1c1ccc2c(c1)CCC2 | [O][=C][N][Branch1][#Branch2][C][C][C][C][C][C][O][Ring1][=Branch1][C][C][N][Ring1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1] | c15ccc2c(c1)CCC2.O=C1N3CCN15.C14CCCCO1.C34 |
48570 | CC(=O)N1CCc2nc(C)nc(N3CCOCC3)c2C1 | [C][C][=Branch1][C][=O][N][C][C][C][=N][C][Branch1][C][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][=N][C][Ring1][P] | N14CCc2nc(C)nc5c2C1.N15CCOCC1.CC4=O |
48571 | Cc1nc2c(c(N3CCOCC3)n1)CN(C(=O)c1cccs1)CC2 | [C][C][=N][C][=C][Branch1][#C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][N][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring2][Ring1][Branch1] | Cc1nc5c2c(n1)CCN4C2.N15CCOCC1.c16cccs1.C46=O |
48572 | Cc1nc2c(c(N3CCOCC3)n1)CN(C(=O)C1CCCCC1)CC2 | [C][C][=N][C][=C][Branch1][#C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][N][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][=Branch1] | Cc1nc5c2c(n1)CCN4C2.N15CCOCC1.C16CCCCC1.C46=O |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.