ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1925365 | O=C(Nc1cccc(-c2ncco2)c1)c1c(F)c(F)cc(F)c1F | [O][=C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][Branch1][Branch2][C][=N][C][=C][O][Ring1][Branch1][=C][Ring1][O][C][=C][Branch1][C][F][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][=Branch2][F] | c15c(F)c(F)cc(F)c1F.c14cccc6c1.c16ncco1.O=C35.N34 |
1925366 | COc1cc(NC(=O)c2c(F)cccc2Br)ncn1 | [C][O][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Br][=N][C][=N][Ring1][P] | c16c(F)cccc1Br.c14cc5ncn1.C36=O.CO4.N35 |
1925367 | COc1cc(NC(=O)c2ccc(F)cc2C)ncn1 | [C][O][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][C][=N][Ring1][P] | c16ccc(F)cc1C.c14cc5ncn1.C36=O.CO4.N35 |
1925368 | Cc1nc(N)c(CC(=O)N2CC(C)OC(c3ccccc3)C2)c(=O)[nH]1 | [C][C][=N][C][Branch1][C][N][=C][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][C][=Branch1][C][=O][NH1][Ring2][Ring1][Branch2] | Cc1nc(N)c5c(=O)[nH]1.N14CC6OC(C)C1.c16ccccc1.C5C4=O |
1925370 | Cc1cnc(NC(=O)c2ccc(=O)n(C)n2)c(Br)c1 | [C][C][=C][N][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][N][=Ring1][Branch2][C][Branch1][C][Br][=C][Ring2][Ring1][C] | Cc1cnc4c(Br)c1.c15ccc(=O)n(C)n1.C35=O.N34 |
1925371 | CC(C)(C)c1ccc(NC(=O)NCCc2cscn2)nn1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][N][C][C][C][=C][S][C][=N][Ring1][Branch1][N][=N][Ring1][P] | c17ccc6nn1.c18cscn1.CC7(C)C.C34=O.C5C8.N36.N45 |
1925372 | O=C(CCCNC(=O)C1CC1)Nc1ccc(Cl)cc1O | [O][=C][Branch1][=C][C][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O] | c15ccc(Cl)cc1O.O=C2CCC4.C36=O.C16CC1.N34.N25 |
1925373 | CNC(=O)C1CCCN1C(=O)NC(Cc1ncc[nH]1)c1ccccc1 | [C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][C][=N][C][=C][NH1][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | C16CCCN13.c18ccccc1.c17ncc[nH]1.C58C7.C26=O.C34=O.CN2.N45 |
1925374 | COc1ccc(C(O)Cn2nc(C(F)(F)F)ccc2=O)cc1F | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][Branch1][C][O][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][Ring2][F] | c13ccc6cc1F.n14nc5ccc1=O.C6(O)C4.C5(F)(F)F.CO3 |
1925375 | O=C(CN(CC1CCCO1)c1ncc(F)cn1)N1CCCC1 | [O][=C][Branch2][Ring1][Branch2][C][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][C][=N][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][N][C][C][C][C][Ring1][Branch1] | c15ncc(F)cn1.C16CCCO1.N12CCCC1.O=C2C3.N345.C46 |
1925376 | O=C(CN(CC1CCCO1)c1ncccn1)N1CCCC1 | [O][=C][Branch2][Ring1][Branch1][C][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][C][=N][C][=C][C][=N][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1] | c15ncccn1.C16CCCO1.N12CCCC1.O=C2C3.N345.C46 |
1925377 | CCOC1CC(N(C)S(=O)(=O)c2cncc(Cl)c2)C1(C)C | [C][C][O][C][C][C][Branch2][Ring1][#Branch1][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Ring1][S][Branch1][C][C][C] | S5(=O)(=O)c1cncc(Cl)c1.C14CC6C1(C)C.N56C.CC3.O34 |
1925378 | CCc1nn(C)c(CC)c1CNC(=O)NC1CC2CCC1O2 | [C][C][C][=N][N][Branch1][C][C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][O][Ring1][Branch1] | c17nn(C)c8c19.C16CC2CCC1O2.C34=O.CC7.C8C.C59.N35.N46 |
1925379 | Cc1ccc(NC(=O)NC2(C)CCC2)cc1OC1CCOC1 | [C][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][C][Ring1][Branch1][C][=C][Ring1][#C][O][C][C][C][O][C][Ring1][Branch1] | Cc1ccc8cc16.C17(C)CCC1.C15CCOC1.C34=O.N38.N47.O56 |
1925380 | O=C(OCC(=O)N1CCCC1)c1cc(-c2ccccn2)ccc1Cl | [O][=C][Branch1][=C][O][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][=C][Ring1][N][Cl] | c16cc7ccc1Cl.c17ccccn1.N14CCCC1.C5C4=O.O=C36.O35 |
1925381 | Cc1noc(COC(=O)c2cccc(-c3ccccn3)c2C)n1 | [C][C][=N][O][C][Branch2][Ring1][#Branch2][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][N][C][=N][Ring2][Ring1][=Branch1] | c16cccc8c1C.Cc1noc7n1.c18ccccn1.C46=O.C57.O45 |
1925382 | CCc1noc(C)c1NC(=O)NC(C)(C)c1ccccc1 | [C][C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16noc(C)c15.c17ccccc1.C47(C)C.C23=O.CC6.N25.N34 |
1925383 | Cc1ccc(C(=O)N2CC(=O)Nc3cnccc32)c(Br)c1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][N][=C][C][=C][Ring1][=Branch1][Ring1][O][C][Branch1][C][Br][=C][Ring2][Ring1][Ring2] | N14CC(=O)Nc2cnccc21.Cc1ccc5c(Br)c1.C45=O |
1925384 | Cc1cccc(C(=O)N2CC(=O)Nc3cnccc32)c1Cl | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][=C][N][=C][C][=C][Ring1][=Branch1][Ring1][O][=C][Ring2][Ring1][Ring1][Cl] | N14CC(=O)Nc2cnccc21.Cc1cccc5c1Cl.C45=O |
1925385 | O=C(NCc1nc[nH]n1)c1cc(-c2ccccn2)ccc1Cl | [O][=C][Branch1][#Branch2][N][C][C][N][=C][NH1][N][=Ring1][Branch1][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][=C][Ring1][N][Cl] | c15cc7ccc1Cl.c17ccccn1.c16nc[nH]n1.O=C35.N34.C46 |
1925386 | Cc1c(C(=O)N2CCC(c3nc[nH]n3)CC2)cccc1-c1ccccn1 | [C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch2][C][N][=C][NH1][N][=Ring1][Branch1][C][C][Ring1][O][C][=C][C][=C][Ring2][Ring1][Ring1][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cc1c5cccc17.N14CCC6CC1.c17ccccn1.c16nc[nH]n1.C45=O |
1925387 | Cc1ccc(C(=O)NCC(O)c2cnn(C)c2)c(Br)c1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][Branch1][C][Br][=C][Ring2][Ring1][Ring1] | Cc1ccc5c(Br)c1.c16cnn(C)c1.C4C6O.C35=O.N34 |
1925388 | Cc1cccc(C(=O)NCC(O)c2cccnc2)c1Cl | [C][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][C][Cl] | Cc1cccc5c1Cl.c16cccnc1.C4C6O.C35=O.N34 |
1925389 | Cc1ccc(C(=O)NCC(O)c2cccnc2)c(Br)c1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][Br][=C][Ring2][Ring1][Ring1] | Cc1ccc5c(Br)c1.c16cccnc1.C4C6O.C35=O.N34 |
1925390 | COC1CCC2OCCN(C(=O)c3occc3-c3ccccc3)C2C1 | [C][O][C][C][C][C][O][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][O][C][=C][C][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring1][C][Ring2][Ring1][#Branch1] | C15CCC2OCCN4C2C1.c16occc17.c17ccccc1.C46=O.CO5 |
1925391 | O=C1CCCC1CCOc1nnc(-c2ccccc2)o1 | [O][=C][C][C][C][C][Ring1][Branch1][C][C][O][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O] | O=C1CCCC15.c14nnc6o1.c16ccccc1.C5C3.O34 |
1925392 | CC1CCC(O)(Cn2ncnc2-c2cccnc2)CC1 | [C][C][C][C][C][Branch1][C][O][Branch1][P][C][N][N][=C][N][=C][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1] | CC1CCC4(O)CC1.n13ncnc15.c15cccnc1.C34 |
1925393 | Cc1nc(-c2ccccc2C)n(CC(O)c2ccccc2)n1 | [C][C][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][=C][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][Branch1] | Cc1nc5n3n1.c15ccccc1C.c14ccccc1.C3C4O |
1925395 | CC(C)(O)COc1ccc(Cl)c2cccnc12 | [C][C][Branch1][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1] | c14ccc(Cl)c2cccnc12.CC(C)(O)C3.O34 |
1925396 | Cc1ccc(OCC(O)CN2CCOCC2)c(Cl)c1 | [C][C][=C][C][=C][Branch1][S][O][C][C][Branch1][C][O][C][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring2][Ring1][C] | Cc1ccc4c(Cl)c1.N15CCOCC1.C3C(O)C5.O34 |
1925397 | CN(C)c1cccc(OCC(O)CN2CCOCC2)c1 | [C][N][Branch1][C][C][C][=C][C][=C][C][Branch1][S][O][C][C][Branch1][C][O][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][P] | c16cccc4c1.N15CCOCC1.C3C(O)C5.CN6C.O34 |
1925398 | OC(COc1cc(F)cc(Br)c1)CN1CCOCC1 | [O][C][Branch1][P][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][Br][=C][Ring1][Branch2][C][N][C][C][O][C][C][Ring1][=Branch1] | c13cc(F)cc(Br)c1.N14CCOCC1.OC(C2)C4.O23 |
1925399 | CC1CN(CC(O)COc2cccc(Cl)c2C#N)CC(C)O1 | [C][C][C][N][Branch2][Ring1][Branch1][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][#N][C][C][Branch1][C][C][O][Ring2][Ring1][Branch1] | c14cccc(Cl)c1C#N.CC1CN5CC(C)O1.C5C(O)C3.O34 |
1925400 | NC(=O)C(Cc1ccccc1)Nc1ncc(Br)cn1 | [N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1] | c13ncc(Br)cn1.NC(=O)C2C4.c14ccccc1.N23 |
1925401 | CCC(C#N)S(=O)(=O)N1CCN(Cc2ccccc2C)CC1 | [C][C][C][Branch1][Ring1][C][#N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][=C] | CCC(C#N)S4(=O)=O.N14CCN3CC1.c15ccccc1C.C35 |
1925402 | CC1C(=O)NCCN1S(=O)(=O)Cc1ccc(F)c(Cl)c1 | [C][C][C][=Branch1][C][=O][N][C][C][N][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] | CC1C(=O)NCCN12.c13ccc(F)c(Cl)c1.S2(=O)(=O)C3 |
1925403 | CC(=O)N(c1nc(CNc2ccc3[nH]ncc3c2)cs1)C1CC1 | [C][C][=Branch1][C][=O][N][Branch2][Ring1][=Branch2][C][=N][C][Branch1][S][C][N][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][=C][S][Ring1][S][C][C][C][Ring1][Ring1] | c17ccc2[nH]ncc2c1.c16nc9cs1.CC4=O.N468.C18CC1.C59.N57 |
1925404 | c1cc(NC2CCOC2)cc(-c2nc(C3CC3)n[nH]2)c1 | [C][=C][C][Branch1][=Branch2][N][C][C][C][O][C][Ring1][Branch1][=C][C][Branch1][#C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][NH1][Ring1][Branch2][=C][Ring2][Ring1][Ring2] | c1cc4cc7c1.c17nc6n[nH]1.C15CCOC1.C16CC1.N45 |
1925405 | CC(NC(=O)Nc1cnn(C(C)C)c1)c1ccc(-n2ccnn2)cc1 | [C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=Ring1][Branch2][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=N][Ring1][Branch1][C][=C][Ring1][O] | c18ccc9cc1.c16cnn7c1.n19ccnn1.CC58.C34=O.C7(C)C.N35.N46 |
1925406 | O=C(OCc1ccccc1Cl)c1csc(C2CCCO2)n1 | [O][=C][Branch1][N][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][S][C][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][=N][Ring1][#Branch2] | c16ccccc1Cl.c15csc7n1.C17CCCO1.O=C35.O34.C46 |
1925407 | CCC(NC(=O)Nc1cccc(Cl)c1COC)C1CCCO1 | [C][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][O][C][C][C][C][C][O][Ring1][Branch1] | c16cccc(Cl)c18.C17CCCO1.CCC57.C23=O.N25.N36.C48.O4C |
1925408 | CC(C)(C)c1ccc(NC(=O)NC2CCc3[nH]ncc3C2)nn1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C][C][C][C][NH1][N][=C][C][=Ring1][Branch1][C][Ring1][=Branch2][N][=N][Ring2][Ring1][Ring1] | C17CCc2[nH]ncc2C1.c18ccc6nn1.CC8(C)C.C45=O.N46.N57 |
1925409 | CC1(C2CCN(C(=O)NC3CC=CCC3)CC2)OCCO1 | [C][C][Branch2][Ring1][Branch2][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][=C][C][C][Ring1][=Branch1][C][C][Ring1][#C][O][C][C][O][Ring2][Ring1][Ring2] | C17CCN4CC1.CC17OCCO1.C16CC=CCC1.C45=O.N56 |
1925410 | Cc1ccccc1-c1noc(=O)n1CC(O)COC(C)C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][O][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][Branch1][C][O][C][O][C][Branch1][C][C][C] | Cc1ccccc15.c15noc(=O)n14.C4C(O)C2.C3(C)C.O23 |
1925411 | CC(C)OCC(O)CSc1ccnc2ccccc12 | [C][C][Branch1][C][C][O][C][C][Branch1][C][O][C][S][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c16ccnc2ccccc12.C4C(O)C5.CC3C.O34.S56 |
1925412 | CN(C)C(=O)C(Cc1ccccc1)Nc1ncccn1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=C][C][=N][Ring1][=Branch1] | C2(=O)C3C5.c15ccccc1.c14ncccn1.CN2C.N34 |
1925413 | COc1ccnc(NC(Cc2ccccc2)C(=O)N(C)C)n1 | [C][O][C][=C][C][=N][C][Branch2][Ring1][#Branch1][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][Ring2][Ring1][Ring2] | c14ccnc6n1.C5(C7)C3=O.c17ccccc1.N3(C)C.CO4.N56 |
1925414 | CCC(NC(=O)Nc1cccc([S+](C)[O-])c1)c1c(C)noc1C | [C][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][S+1][Branch1][C][C][O-1][=C][Ring1][=Branch2][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C] | c15cccc([S+](C)[O-])c1.c16c(C)noc1C.CCC46.C23=O.N24.N35 |
1925415 | Cc1cccnc1CNC(=O)Nc1ccc2nc(N(C)C)oc2c1 | [C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][=Branch1][N][Branch1][C][C][C][O][C][Ring1][Branch2][=C][Ring1][N] | c17ccc2nc6oc2c1.Cc1cccnc18.C34=O.N6(C)C.C58.N35.N47 |
1925416 | O=C(Nc1ccncc1F)c1cc2ccccc2o1 | [O][=C][Branch1][O][N][C][=C][C][=N][C][=C][Ring1][=Branch1][F][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] | c15cc2ccccc2o1.c14ccncc1F.O=C35.N34 |
1925417 | O=C(CCc1ccsc1)Nc1ccncc1F | [O][=C][Branch1][#Branch2][C][C][C][C][=C][S][C][=Ring1][Branch1][N][C][=C][C][=N][C][=C][Ring1][=Branch1][F] | c13ccncc1F.O=C2CC4.c14ccsc1.N23 |
1925418 | O=C(c1ccc2c(c1)OCO2)N1CCC(OCCO)CC1 | [O][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][C][C][Branch1][Branch1][O][C][C][O][C][C][Ring1][#Branch2] | c16ccc2c(c1)OCO2.N13CCC5CC1.O=C36.C4CO.O45 |
1925419 | Cc1cnc(NC(CCCO)c2ccccc2)nc1 | [C][C][=C][N][=C][Branch1][P][N][C][Branch1][Branch1][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][C] | Cc1cnc4nc1.C35CCCO.c15ccccc1.N34 |
1925420 | O=C(c1ccccn1)N1CCC(Nc2nc(C3CC3)ns2)C1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][C][C][Branch1][S][N][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][S][Ring1][Branch2][C][Ring1][=C] | c17ccccn1.N14CCC6C1.c15nc8ns1.O=C47.C18CC1.N56 |
1925421 | CCc1nc(N2CCC(S(=O)(=O)NC)C2)c2ccsc2n1 | [C][C][C][=N][C][Branch2][Ring1][Ring1][N][C][C][C][Branch1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Ring1][#Branch2][=C][C][=C][S][C][Ring1][Branch1][=N][Ring2][Ring1][Ring1] | c15nc4c2ccsc2n1.N14CCC(S3(=O)=O)C1.CC5.N3C |
1925422 | COc1ccc(C(O)C(C)Nc2ncnc3cccc(C)c23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][Branch1][C][O][C][Branch1][C][C][N][C][=N][C][=N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][O][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1] | c16ncnc2cccc(C)c12.c14ccc7cc1.C7(O)C5C.CO4.N56 |
1925423 | COc1ccc(C(O)C(C)Nc2nccc(C)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][Branch1][C][O][C][Branch1][C][C][N][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c13ccc6cc1.c15nccc(C)n1.C6(O)C4C.CO3.N45 |
1925424 | COc1ccc(C(O)C(C)Nc2ncc(Cl)cn2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][Branch1][C][O][C][Branch1][C][C][N][C][=N][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c13ccc6cc1.c15ncc(Cl)cn1.C6(O)C4C.CO3.N45 |
1925425 | Cc1ccnc(NCc2ccc(S(=O)(=O)NCC(C)C)cc2)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][O][N][C][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][=C][Ring1][=C][=N][Ring2][Ring1][=Branch1] | c17ccc(S5(=O)=O)cc1.Cc1ccnc6n1.C4C(C)C.N36.C37.N45 |
1925427 | COc1ccc(N(C)C(=O)CC(O)(c2ccccc2)C2CC2)cn1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][N][Branch1][C][C][C][=Branch1][C][=O][C][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][=N][Ring2][Ring1][=Branch1] | c14ccc5cn1.C3(=O)CC67O.c17ccccc1.N35C.C16CC1.CO4 |
1925428 | O=C(OCCN1CCCC1=O)c1cc(C2CCCCC2)n[nH]1 | [O][=C][Branch1][N][O][C][C][N][C][C][C][C][Ring1][Branch1][=O][C][=C][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][=N][NH1][Ring1][O] | N16CCCC1=O.c15cc7n[nH]1.C17CCCCC1.O=C35.C4C6.O34 |
1925429 | Cc1noc(COC(=O)c2cc(C3CCCCC3)n[nH]2)n1 | [C][C][=N][O][C][Branch2][Ring1][Branch2][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][=N][NH1][Ring1][O][=N][Ring2][Ring1][Ring2] | Cc1noc7n1.c16cc8n[nH]1.C18CCCCC1.C46=O.C57.O45 |
1925430 | COC(C)COC(=O)c1ccc2nc(C)ccc2c1 | [C][O][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Branch1][C][C][C][=C][C][Ring1][#Branch1][=C][Ring1][O] | c16ccc2nc(C)ccc2c1.C4(C)C5.C36=O.CO4.O35 |
1925431 | O=C(Nc1nnc(-c2cccnc2)s1)C1CCC(F)(F)CC1 | [O][=C][Branch2][Ring1][Ring1][N][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][O][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2] | C15CCC(F)(F)CC1.c14nnc6s1.c16cccnc1.O=C35.N34 |
1925432 | CN1CCc2c(NC(=O)N3CCCC3CN3CCOCC3)cccc21 | [C][N][C][C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][Ring2][Ring1][Branch1][Ring2][Ring1][Branch2] | CN1CCc2c7cccc21.N15CCCC18.N16CCOCC1.C45=O.N47.C68 |
1925433 | CC(C)CC(NC(=O)c1ccc[nH]1)C(=O)N1CCC(CO)CC1 | [C][C][Branch1][C][C][C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Ring1][C][O][C][C][Ring1][Branch2] | CC(C)CC4C3=O.N13CCC6CC1.c15ccc[nH]1.C25=O.N24.C6O |
1925434 | COC(=O)C(Cc1c[nH]cn1)NC(=O)c1ccc2ccccc2n1 | [C][O][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2] | c16ccc2ccccc2n1.C3(=O)C5C7.c17c[nH]cn1.C46=O.CO3.N45 |
1925435 | O=C(OCC(=O)N1CCc2ccccc2C1)c1scnc1C1CC1 | [O][=C][Branch2][Ring1][Branch1][O][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][S][C][=N][C][=Ring1][Branch1][C][C][C][Ring1][Ring1] | N14CCc2ccccc2C1.c16scnc17.C5C4=O.O=C36.C17CC1.O35 |
1925437 | Cc1noc(NCc2csc(-c3ccsc3)n2)n1 | [C][C][=N][O][C][Branch2][Ring1][Ring1][N][C][C][=C][S][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][=N][Ring1][#Branch2][=N][Ring1][P] | Cc1noc5n1.c16csc7n1.c17ccsc1.N45.C46 |
1925438 | c1cncc(-c2noc(NCc3ccc4c(c3)CCO4)n2)c1 | [C][=C][N][=C][C][Branch2][Ring1][N][C][=N][O][C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][=N][Ring1][S][=C][Ring2][Ring1][=Branch1] | c17ccc2c(c1)CCO2.c1cncc8c1.c18noc6n1.N56.C57 |
1925439 | Cc1nsc(NCc2ccc(Cl)c(Cl)c2)n1 | [C][C][=N][S][C][Branch1][P][N][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][Ring1][#C] | c15ccc(Cl)c(Cl)c1.Cc1nsc4n1.N34.C35 |
1925440 | Cc1csc(CNC(=O)c2ccc(OCC(F)F)nc2)n1 | [C][C][=C][S][C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][O][C][C][Branch1][C][F][F][N][=C][Ring1][O][=N][Ring2][Ring1][Ring2] | c17ccc5nc1.Cc1csc8n1.C4C(F)F.C37=O.C68.N36.O45 |
1925441 | O=C(CCC1CCCO1)N1CCc2ccc(Cl)cc2C1 | [O][=C][Branch1][#Branch2][C][C][C][C][C][C][O][Ring1][Branch1][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][O] | N13CCc2ccc(Cl)cc2C1.O=C3CC4.C14CCCO1 |
1925442 | CC(C)C(C(=O)NC1C=CC(CO)C1)n1nnc(-c2ccccc2)n1 | [C][C][Branch1][C][C][C][Branch1][P][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][Ring1][C][O][C][Ring1][#Branch1][N][N][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O] | CC(C)C5C3=O.C14C=CC6C1.n15nnc7n1.c17ccccc1.N34.C6O |
1925443 | O=C(CN1CCCCC1=O)NCC1(c2ccc(F)cc2F)CC1 | [O][=C][Branch1][O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][N][C][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][C][Ring1][O] | c17ccc(F)cc1F.N15CCCCC1=O.O=C3C5.C167CC1.N34.C46 |
1925444 | COc1ccc(C(=O)CNC(=O)c2ccncc2F)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][F][C][=C][Ring2][Ring1][Ring1] | c14ccc6cc1.c17ccncc1F.C6(=O)C5.C37=O.CO4.N35 |
1925445 | CNc1nc(C(=O)N2CCN(C(=O)CC3CCCC3)CC2)cs1 | [C][N][C][=N][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][=C][=C][S][Ring2][Ring1][Branch1] | N14CCN5CC1.c16nc7cs1.C18CCCC1.C5(=O)C8.C47=O.CN6 |
1925446 | Cn1ncnc1NC(=O)NC1CCCCC1CO | [C][N][N][=C][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][O] | C15CCCCC16.Cn1ncnc14.C23=O.N24.N35.C6O |
1925447 | O=C(NCCCn1cccn1)Nc1ccc2[nH]c(C(F)F)nc2c1 | [O][=C][Branch1][N][N][C][C][C][N][C][=C][C][=N][Ring1][Branch1][N][C][=C][C][=C][NH1][C][Branch1][=Branch1][C][Branch1][C][F][F][=N][C][Ring1][Branch2][=C][Ring1][N] | c16ccc2[nH]c8nc2c1.n17cccn1.C5CC7.O=C34.C8(F)F.N35.N46 |
1925448 | COc1ccccc1CNC(=O)Nc1ccnn1Cc1ccccn1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][=C][C][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c14ccccc19.c16ccnn17.c18ccccn1.C23=O.CO4.C59.N25.N36.C78 |
1925449 | O=C(Nc1ccc(F)c(F)c1)N(Cc1cccnc1)Cc1ccco1 | [O][=C][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][=C][C][=C][O][Ring1][Branch1] | c16ccc(F)c(F)c1.c18cccnc1.c17ccco1.O=C23.N345.N26.C48.C57 |
1925451 | CNc1nc(C(=O)N2CCC(=Cc3ccccc3)CC2)cs1 | [C][N][C][=N][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][=Branch1][#Branch2][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=C][S][Ring2][Ring1][Ring2] | N14CCC=7CC1.C=7c1ccccc1.c15nc6cs1.C46=O.CN5 |
1925452 | Cc1ccc2cc(C(=O)NCC(=O)C(C)(C)C)ccc2n1 | [C][C][=C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][Ring1][S][=N][Ring2][Ring1][Ring2] | Cc1ccc2cc5ccc2n1.C4C(=O)C(C)(C)C.C35=O.N34 |
1925453 | O=C(c1ccc(-n2cnnc2)cc1)N1CCc2ccc(Cl)cc2C1 | [O][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=C][Ring1][Branch1][C][=C][Ring1][O][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][O] | N13CCc2ccc(Cl)cc2C1.c14ccc5cc1.n15cnnc1.O=C34 |
1925454 | Cc1cnc(C(=O)NCC(=O)c2ccccc2Cl)cn1 | [C][C][=C][N][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=N][Ring2][Ring1][Ring1] | Cc1cnc5cn1.c16ccccc1Cl.C4C6=O.C35=O.N34 |
1925455 | CC(=O)NCCCS(=O)(=O)c1ccc2ccccc2n1 | [C][C][=Branch1][C][=O][N][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2] | C4CCS(=O)(=O)c1ccc2ccccc2n1.CC3=O.N34 |
1925456 | CC(=O)NCCCS(=O)(=O)c1nc(-c2ccccc2)cs1 | [C][C][=Branch1][C][=O][N][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O] | C4CCS(=O)(=O)c1nc5cs1.c15ccccc1.CC3=O.N34 |
1925457 | CC#CCNC(=O)NCCc1cccc2cccnc12 | [C][C][#C][C][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1] | c17cccc2cccnc12.CC#CC5.C34=O.C6C7.N35.N46 |
1925458 | OC(CNc1ncc(Cl)cn1)c1ccc(Cl)c(F)c1 | [O][C][Branch1][=C][C][N][C][=N][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][F][=C][Ring1][Branch2] | c14ccc(Cl)c(F)c1.c13ncc(Cl)cn1.OC4C2.N23 |
1925459 | Cc1ncsc1CNC(=O)N1CCN(CC(F)(F)F)C(C)C1 | [C][C][N][=C][S][C][=Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][C][C][Ring1][N] | N13CCN5C(C)C1.Cc1ncsc16.C5C(F)(F)F.C23=O.C46.N24 |
1925460 | CC(=O)Nc1cc(NCc2ccc(CO)o2)ccc1Cl | [C][C][=Branch1][C][=O][N][C][=C][C][Branch1][=C][N][C][C][=C][C][=C][Branch1][Ring1][C][O][O][Ring1][#Branch1][=C][C][=C][Ring1][#C][Cl] | c15cc6ccc1Cl.c17ccc8o1.CC3=O.N35.N46.C47.C8O |
1925461 | O=C(NCc1ccccc1)c1cccc(NC(=O)c2ccon2)c1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][=C][O][N][=Ring1][Branch1][=C][Ring1][=C] | c18cccc6c1.c19ccccc1.c17ccon1.O=C38.C47=O.N35.C59.N46 |
1925462 | O=C(NCc1ccccc1)c1cccc(NC(=O)c2cc[nH]n2)c1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][=C][NH1][N][=Ring1][Branch1][=C][Ring1][=C] | c18cccc6c1.c19ccccc1.c17cc[nH]n1.O=C38.C47=O.N35.C59.N46 |
1925463 | CC1CN(Cc2cccc(C(N)=O)c2)CCN1CC(F)(F)F | [C][C][C][N][Branch1][P][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2][C][C][N][Ring1][S][C][C][Branch1][C][F][Branch1][C][F][F] | CC1CN3CCN14.c16cccc5c1.C4C(F)(F)F.C5(N)=O.C36 |
1925464 | COc1ccc(NC(=O)C2CCC(F)(F)CC2)cc1CO | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][C][=C][Ring1][P][C][O] | c14ccc5cc17.C16CCC(F)(F)CC1.C36=O.CO4.N35.C7O |
1925465 | O=C(C1OCCc2ccccc21)N(CCCO)Cc1ccncc1 | [O][=C][Branch1][#C][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][N][Branch1][Branch1][C][C][C][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | O=C3C1OCCc2ccccc21.c16ccncc1.C4CCO.N345.C56 |
1925466 | Cn1cc(-c2cccc(CNC(=O)c3ccc(C(N)=O)cc3)c2)cn1 | [C][N][C][=C][Branch2][Ring2][C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][Ring1][C][=N][Ring2][Ring1][Branch2] | c19cccc8c1.c16ccc7cc1.Cn1cc9cn1.C46=O.C7(N)=O.C58.N45 |
1925467 | Nc1nccnc1C(=O)Nc1ccc(-c2ccccn2)cn1 | [N][C][=N][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=N][Ring1][N] | Nc1nccnc15.c14ccc6cn1.c16ccccn1.C35=O.N34 |
1925468 | Cc1n[nH]c(C)c1C1CCCN1C(=O)c1ccc(C(F)(F)F)nc1 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#Branch2] | Cc1n[nH]c(C)c15.c13ccc4nc1.C15CCCN12.C4(F)(F)F.C23=O |
1925469 | Cc1n[nH]c(C)c1C1CCCN1C(=O)c1cccnc1 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1] | Cc1n[nH]c(C)c14.C14CCCN12.c13cccnc1.C23=O |
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