ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1928375 | CC(C)n1c2ccccc2c2c1cc(C(=O)N(C)C)n2C(=O)N(C)C | [C][C][Branch1][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][N][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C] | n16c2ccccc2c2c1cc5n2C4=O.CC6C.C35=O.N3(C)C.N4(C)C |
1928376 | CC(C)n1c2ccccc2c2c1cc(C(=O)N(C)C)n2-c1ncccn1 | [C][C][Branch1][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][N][Ring1][#Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1] | n15c2ccccc2c2c1cc4n26.c16ncccn1.CC5C.C34=O.N3(C)C |
1928377 | O=C(NCc1ccccc1)c1cc2c(s1)CCN2c1ncccn1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][N][Ring1][=Branch1][C][=N][C][=C][C][=N][Ring1][=Branch1] | c16cc2c(s1)CCN25.c17ccccc1.c15ncccn1.O=C36.N34.C47 |
1928378 | O=C(NCc1ccccn1)c1cc2c(s1)CCN2C(=O)C1CC1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][Ring1][Ring1] | c16cc2c(s1)CCN24.c18ccccn1.O=C36.C47=O.C17CC1.N35.C58 |
1928379 | COCCN1CCCc2sc(C(=O)N3CCCC3)nc21 | [C][O][C][C][N][C][C][C][C][S][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=N][C][=Ring1][N][Ring1][S] | N16CCCc2sc7nc21.N14CCCC1.C5C6.C47=O.CO5 |
1928380 | CC(=O)N1CCCc2sc(C(=O)NC3CC3)nc21 | [C][C][=Branch1][C][=O][N][C][C][C][C][S][C][Branch1][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=N][C][=Ring1][O][Ring1][#C] | N14CCCc2sc7nc21.CC4=O.C57=O.C16CC1.N56 |
1928381 | CC(=O)N1CCc2nc(C(=O)Nc3cccnc3)sc2CC1 | [C][C][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][=Ring1][=C][C][C][Ring2][Ring1][Ring1] | N14CCc2nc7sc2CC1.c16cccnc1.CC4=O.C57=O.N56 |
1928382 | CC(C)C(=O)N1CCc2nc(C(=O)Nc3cccnc3)sc2CC1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][=Ring1][=C][C][C][Ring2][Ring1][Ring1] | N14CCc2nc7sc2CC1.c16cccnc1.CC(C)C4=O.C57=O.N56 |
1928383 | COCC(=O)N1CCc2nc(C(=O)Nc3cccnc3)sc2CC1 | [C][O][C][C][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][=Ring1][=C][C][C][Ring2][Ring1][Ring1] | N14CCc2nc8sc2CC1.c17cccnc1.C6C4=O.C58=O.CO6.N57 |
1928385 | COCC(=O)N1CCc2nc(C(=O)N3CCCCC3)sc2CC1 | [C][O][C][C][=Branch1][C][=O][N][C][C][C][N][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][S][C][=Ring1][=N][C][C][Ring2][Ring1][C] | N14CCc2nc7sc2CC1.N15CCCCC1.C6C4=O.C57=O.CO6 |
1928386 | O=C(NCc1cccs1)c1nc2c(o1)CN(Cc1cccnc1)C2 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=N][C][=C][Branch1][Ring2][O][Ring1][Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][=N] | c16nc2c(o1)CN5C2.c18cccnc1.c17cccs1.O=C36.N34.C47.C58 |
1928387 | Cc1ccc(CNC(=O)c2nc3c(o2)CN(c2ncccn2)C3)o1 | [C][C][=C][C][=C][Branch2][Ring1][#C][C][N][C][=Branch1][C][=O][C][=N][C][=C][Branch1][Ring2][O][Ring1][Branch1][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][Ring1][N][O][Ring2][Ring1][#Branch1] | c17nc2c(o1)CN6C2.Cc1ccc8o1.c16ncccn1.C47=O.C58.N45 |
1928388 | COc1ccc(-c2c(C)nn(CCC(N)=O)c2C)c2cccnc12 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][Branch1][C][C][=N][N][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Ring1][O][C][C][=C][C][=C][N][=C][Ring2][Ring1][=Branch1][Ring1][=Branch1] | c13ccc5c2cccnc12.c15c(C)nn4c1C.C4CC(N)=O.CO3 |
1928389 | COC(C)c1ccc(-c2cnc3c(C(N)=O)cnn3c2)cc1 | [C][O][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][=N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=N][N][Ring1][Branch2][C][=Ring1][N][C][=C][Ring2][Ring1][C] | c17cnc2c5cnn2c1.c16ccc7cc1.C46C.C5(N)=O.CO4 |
1928391 | NC(=O)CCn1cc(-c2ccc3ncccc3c2)cn1 | [N][C][=Branch1][C][=O][C][C][N][C][=C][Branch1][#C][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=N][Ring1][#C] | c15ccc2ncccc2c1.n14cc5cn1.NC(=O)CC4 |
1928392 | CCC(=O)N1CCCC(c2nc(-c3cn4ccccc4n3)no2)C1 | [C][C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][#Branch1][C][=N][C][Branch1][=C][C][=C][N][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][=N][O][Ring1][=C][C][Ring2][Ring1][Ring2] | c16cn2ccccc2n1.N15CCCC7C1.c17nc6no1.CCC5=O |
1928393 | CCC(O)Cn1nc(CC(N)=O)nc1CN1CCCC1=O | [C][C][C][Branch1][C][O][C][N][N][=C][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][=C][Ring1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][=O] | n12nc4nc15.N13CCCC1=O.CCC(O)C2.C4C(N)=O.C35 |
1928394 | Cc1cc(C)n(CCNC(=O)Nc2ccc3c(c2)OCO3)c(=O)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Branch2][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=Branch1][C][=O][N][=Ring2][Ring1][#Branch1] | Cc1cc(C)n8c(=O)n1.c17ccc2c(c1)OCO2.C8C6.C45=O.N46.N57 |
1928395 | Cc1nc(C(=O)N(CCc2ccccc2)Cc2ccco2)cs1 | [C][C][=N][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][O][Ring1][Branch1][=C][S][Ring2][Ring1][=Branch1] | Cc1nc6cs1.c18ccccc1.c17ccco1.C36=O.N345.C4C8.C57 |
1928397 | Cn1nc(C(C)(C)C)cc1NC(=O)NCCCn1ccnn1 | [C][N][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][C][N][C][=C][N][=N][Ring1][Branch1] | Cn1nc7cc15.n16ccnn1.C7(C)(C)C.C4CC6.C23=O.N25.N34 |
1928398 | Cc1c(-c2cc(-c3nc(C4CCOC4)no3)no2)cnn1C | [C][C][=C][Branch2][Ring1][#Branch2][C][=C][C][Branch1][P][C][=N][C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][=N][O][Ring1][#Branch2][=N][O][Ring1][#C][C][=N][N][Ring2][Ring1][Ring2][C] | Cc1c7cnn1C.c17cc5no1.c15nc6no1.C16CCOC1 |
1928400 | Cc1nc(-c2ccc(CO)cc2)n(CCc2ccccc2)n1 | [C][C][N][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][Branch1] | Cc1nc6n3n1.c16ccc4cc1.c15ccccc1.C3C5.C4O |
1928401 | COc1ccc(-c2ccncc2N)c(OC)c1OC | [C][O][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][Branch1][Ring1][O][C][=C][Ring1][#C][O][C] | c13ccc6c4c15.c16ccncc1N.CO3.O4C.O5C |
1928402 | Cc1ncsc1CCCNc1nccc(-c2ccccn2)n1 | [C][C][N][=C][S][C][=Ring1][Branch1][C][C][C][N][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][N] | c14nccc6n1.Cc1ncsc15.c16ccccn1.C5CC3.N34 |
1928403 | CCn1nc(C(C)C)cc1-c1nc(CN2CCOCC2)no1 | [C][C][N][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][Branch2][C][=N][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][=N][O][Ring1][N] | n14nc5cc17.c17nc6no1.N13CCOCC1.C5(C)C.CC4.C36 |
1928404 | COCCOc1ccc(-c2cc(C)c(C)[nH]c2=O)cc1 | [C][O][C][C][O][C][=C][C][=C][Branch1][S][C][=C][C][Branch1][C][C][=C][Branch1][C][C][NH1][C][Ring1][Branch2][=O][C][=C][Ring1][#C] | c16cc(C)c(C)[nH]c1=O.c15ccc6cc1.C3C4.CO3.O45 |
1928405 | COc1cc(-c2cc(C)ccc2OCC(N)=O)c(Cl)cn1 | [C][O][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][C][Branch1][C][N][=O][=C][Branch1][C][Cl][C][=N][Ring2][Ring1][Ring1] | c14cc6c(Cl)cn1.c16cc(C)ccc15.C3C(N)=O.CO4.O35 |
1928406 | Cc1nnnn1CCC(=O)N1CCCC(CO)(CC2CC2)C1 | [C][C][=N][N][=N][N][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][Ring1][C][O][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][Ring1][N] | N13CCCC56C1.Cc1nnnn14.C4CC3=O.C17CC1.C5O.C67 |
1928407 | Cc1cc(N2CCCC(CCC(=O)N(C)C)C2)nc2ccc(F)cc12 | [C][C][=C][C][Branch2][Ring1][=Branch1][N][C][C][C][C][Branch1][N][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Ring1][=N][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring2][Ring1][Branch2][Ring1][#Branch1] | Cc1cc4nc2ccc(F)cc12.N14CCCC5C1.C5CC3=O.N3(C)C |
1928408 | Cc1cc(-n2cnnc2)ncc1-c1cnn(CCC(C)C)c1 | [C][C][=C][C][Branch1][Branch2][N][C][=N][N][=C][Ring1][Branch1][=N][C][=C][Ring1][O][C][C][=N][N][Branch1][Branch2][C][C][C][Branch1][C][C][C][C][=Ring1][#Branch2] | Cc1cc4ncc15.c15cnn3c1.n14cnnc1.C3CC(C)C |
1928409 | CC1(O)CCN(C(=O)c2ccc3nccn3c2)CC1O | [C][C][Branch1][C][O][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][=C][C][=N][C][=C][N][Ring1][Branch1][C][=Ring1][=Branch2][C][C][Ring2][Ring1][C][O] | CC1(O)CCN4CC1O.c15ccc2nccn2c1.C45=O |
1928410 | Cc1nc(C)n(CCCNc2nc3c(s2)c(C)nn3C)n1 | [C][C][N][=C][Branch1][C][C][N][Branch2][Ring1][#Branch1][C][C][C][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][Branch1][C][C][=N][N][Ring1][#Branch1][C][N][=Ring2][Ring1][Ring2] | c15nc2c(s1)c(C)nn2C.Cc1nc(C)n6n1.C6CC4.N45 |
1928411 | Cc1cnc(CNC(=O)C2COc3ccccc3O2)cn1 | [C][C][=C][N][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][=N][Ring2][Ring1][Ring2] | C16COc2ccccc2O1.Cc1cnc7cn1.C46=O.C57.N45 |
1928412 | COc1cc2c(cc1CNc1nc3c(s1)c(C)nn3C)OCCO2 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][Ring1][=Branch1][C][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][Branch1][C][C][=N][N][Ring1][#Branch1][C][O][C][C][O][Ring2][Ring1][Ring2] | c14cc2c(cc17)OCCO2.c16nc2c(s1)c(C)nn2C.CO4.C57.N56 |
1928415 | c1ccc(COCCCc2nc(C3CCOC3)no2)cc1 | [C][=C][C][=C][Branch2][Ring1][=Branch1][C][O][C][C][C][C][=N][C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][=N][O][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1] | c1ccc7cc1.c16nc8no1.C18CCOC1.C5CC6.C47.O45 |
1928416 | CC1(O)CCN(C(=O)CCC(=O)Nc2ccccc2)CC1O | [C][C][Branch1][C][O][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2][O] | CC1(O)CCN3CC1O.C3(=O)CCC4=O.c15ccccc1.N45 |
1928419 | Cc1nn(C)c2nc(NCCCn3cncn3)sc12 | [C][C][=N][N][Branch1][C][C][C][N][=C][Branch1][N][N][C][C][C][N][C][=N][C][=N][Ring1][Branch1][S][C][Ring2][Ring1][C][=Ring1][=C] | Cc1nn(C)c2nc5sc12.n16cncn1.C4CC6.N45 |
1928420 | CC1(O)CCN(C(=O)c2cccc3c2NCCC3)CC1O | [C][C][Branch1][C][O][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1][O] | c15cccc2c1NCCC2.CC1(O)CCN4CC1O.C45=O |
1928421 | COc1ccc(C2(c3nc(C4CCOC4)no3)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][Branch1][P][C][=N][C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][=N][O][Ring1][#Branch2][C][C][Ring1][=N][C][=C][Ring2][Ring1][Ring1] | c15ccc8cc1.c16nc7no1.C17CCOC1.C168CC1.CO5 |
1928422 | CCCc1nc(CNc2nc3c(s2)c(C)nn3C)cs1 | [C][C][C][C][=N][C][Branch2][Ring1][Branch1][C][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][Branch1][C][C][=N][N][Ring1][#Branch1][C][=C][S][Ring1][P] | c15nc2c(s1)c(C)nn2C.c16nc7cs1.CCC6.C47.N45 |
1928423 | Cc1[nH]c(-c2ccccc2)nc1C(=O)N1Cc2nnc(C)n2C(C)C1 | [C][C][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][Branch1][C][C][C][Ring1][O] | N13Cc2nnc(C)n2C(C)C1.Cc1[nH]c5nc14.c15ccccc1.C34=O |
1928424 | Cn1cnc2cc(C(=O)NCC3CCOc4ccccc4C3)ccc21 | [C][N][C][=N][C][=C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=C][C][=C][Ring2][Ring1][Branch1][Ring2][Ring1][Branch2] | C18CCOc2ccccc2C1.Cn1cnc2cc7ccc21.C57=O.N56.C68 |
1928426 | COCC1(N(C)C(=O)Nc2cc(F)ccc2Cl)CC1 | [C][O][C][C][Branch2][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][S] | c17cc(F)ccc1Cl.C168CC1.N36C.C34=O.CO5.C58.N47 |
1928427 | CCNC(=O)Nc1ccc(-c2ccc(C(=O)N(C)C)s2)cc1 | [C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][S][Ring1][#Branch2][C][=C][Ring1][S] | c17ccc9cc1.c19ccc8s1.C34=O.C58=O.N5(C)C.CC6.N36.N47 |
1928429 | CC(C)Cc1cc(CNC(=O)Nc2ccc3cnoc3c2)on1 | [C][C][Branch1][C][C][C][C][C][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][O][C][Ring1][Branch1][=C][Ring1][=Branch2][O][N][=Ring2][Ring1][Ring1] | c17ccc2cnoc2c1.c18cc9on1.CC(C)C8.C45=O.C69.N46.N57 |
1928430 | CCN(CC)C(=O)C1CC(NC(=O)Cc2ccc(C)c(C)c2)CN1C | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][N][Ring1][P][C] | c19ccc(C)c(C)c1.C18CC7CN1C.C4(=O)C9.N356.C38=O.CC5.C6C.N47 |
1928432 | Cn1nc(-c2ccc(F)cc2C(F)(F)F)nc1N1CCOCC1 | [C][N][N][=C][Branch2][Ring1][Ring2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][S][N][C][C][O][C][C][Ring1][=Branch1] | c15ccc(F)cc14.Cn1nc5nc13.N13CCOCC1.C4(F)(F)F |
1928433 | COc1cc(C)cc(-c2cnn3cccnc23)c1OC | [C][O][C][=C][C][Branch1][C][C][=C][C][Branch1][=C][C][C][=N][N][C][=C][C][=N][C][=Ring1][=Branch2][Ring1][=Branch1][=C][Ring1][S][O][C] | c14cc(C)cc6c15.c16cnn2cccnc12.CO4.O5C |
1928434 | COc1ccc(-c2ccc(C(N)=O)s2)cc1Cl | [C][O][C][=C][C][=C][Branch1][#C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][S][Ring1][Branch2][C][=C][Ring1][=C][Cl] | c13ccc5cc1Cl.c15ccc4s1.C4(N)=O.CO3 |
1928435 | Cc1cc(C)n(Cc2ccc(N3CCC(C)(O)C(O)C3)nc2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=C][C][C][=C][C][=C][Branch2][Ring1][C][N][C][C][C][Branch1][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][=Branch2][N][=C][Ring1][#C][N][=Ring2][Ring1][=Branch1] | N14CCC(C)(O)C(O)C1.Cc1cc(C)n5n1.c16ccc4nc1.C56 |
1928436 | NC(=O)c1ccc(-c2ccc(N3CCOCC3)cc2)cc1Cl | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][C][Cl] | c15ccc6cc1Cl.c16ccc4cc1.N14CCOCC1.NC5=O |
1928437 | CC(C)n1cnnc1CCNC(=O)Nc1cccc(-n2cncn2)c1 | [C][C][Branch1][C][C][N][C][=N][N][=C][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=C][Ring1][O] | c16cccc9c1.n17cnnc18.n19cncn1.CC7C.C8C5.C34=O.N35.N46 |
1928438 | O=C(Nc1ccc(C(F)(F)F)cc1)N1CCCCCC1CO | [O][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][C][O] | N13CCCCCC15.c14ccc6cc1.C6(F)(F)F.O=C23.N24.C5O |
1928439 | Cc1ccc(-c2cccc(C(C)O)n2)c(-n2cccn2)c1 | [C][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][O][=N][Ring1][=Branch2][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][=C][Ring2][Ring1][Ring2] | Cc1ccc5c4c1.c15cccc3n1.n14cccn1.C3(C)O |
1928440 | COc1nc2ccccc2cc1-c1ccncc1N | [C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N] | c13nc2ccccc2cc14.c14ccncc1N.CO3 |
1928441 | CC1(O)CCN(C(=O)c2ccc3[nH]nnc3c2)CC1O | [C][C][Branch1][C][O][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][NH1][N][=N][C][Ring1][Branch1][=C][Ring1][=Branch2][C][C][Ring2][Ring1][C][O] | CC1(O)CCN4CC1O.c15ccc2[nH]nnc2c1.C45=O |
1928442 | CCC(=O)Nc1ccc(F)c(NC(=O)NC2CCC2)c1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][=N][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring2][=C][Ring1][#C] | c16ccc(F)c7c1.CCC3=O.C18CCC1.C45=O.N36.N47.N58 |
1928443 | Cc1nc2c(c(=O)n1C)CN(C(=O)C1CCOc3ccccc3C1)C2 | [C][C][=N][C][=C][Branch1][=Branch2][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][C][Ring2][Ring1][=Branch1] | Cc1nc2c(c(=O)n1C)CN4C2.C15CCOc2ccccc2C1.C45=O |
1928444 | Cc1nn(C)c2nc(N3CCN(C(=O)CC(C)C)CC3)sc12 | [C][C][=N][N][Branch1][C][C][C][N][=C][Branch2][Ring1][Branch1][N][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][C][Ring1][N][S][C][Ring2][Ring1][Branch1][=Ring1][P] | Cc1nn(C)c2nc5sc12.N15CCN4CC1.C4(=O)CC(C)C |
1928445 | Fc1cnc(N2CCN(CCn3cncn3)CC2)nc1N1CCCC1 | [F][C][=C][N][=C][Branch2][Ring1][Ring2][N][C][C][N][Branch1][#Branch2][C][C][N][C][=N][C][=N][Ring1][Branch1][C][C][Ring1][=N][N][=C][Ring2][Ring1][Ring1][N][C][C][C][C][Ring1][Branch1] | Fc1cnc5nc16.N15CCN4CC1.n17cncn1.N16CCCC1.C4C7 |
1928447 | COCCc1noc(-c2oc3cc(OC)ccc3c2C)n1 | [C][O][C][C][C][=N][O][C][Branch2][Ring1][Ring1][C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][=Ring1][O][C][=N][Ring1][P] | c17oc2cc5ccc2c1C.c16noc7n1.C4C6.CO4.O5C |
1928448 | c1ccc(-c2ccnc(NC3COCC3N3CCCC3)n2)nc1 | [C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][C][=N][C][Branch1][S][N][C][C][O][C][C][Ring1][Branch1][N][C][C][C][C][Ring1][Branch1][=N][Ring1][P][N][=C][Ring2][Ring1][#Branch1] | c17ccnc4n1.c1ccc7nc1.C15COCC16.N16CCCC1.N45 |
1928449 | Cc1noc(CC2CCN(C(=O)Nc3ccc(F)nc3)CC2)n1 | [C][C][=N][O][C][Branch2][Ring1][N][C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][N][=C][Ring1][#Branch1][C][C][Ring1][S][=N][Ring2][Ring1][=Branch1] | C18CCN4CC1.c16ccc(F)nc1.Cc1noc7n1.C45=O.C78.N56 |
1928450 | CC(O)c1nc2ccc(-c3ccc4c(c3)OCO4)cc2[nH]1 | [C][C][Branch1][C][O][C][=N][C][=C][C][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring1][#C][NH1][Ring2][Ring1][C] | c15nc2ccc6cc2[nH]1.c16ccc2c(c1)OCO2.CC5O |
1928451 | c1cc(-c2ncc[nH]2)cc(-c2nc(C3CCOC3)no2)c1 | [C][=C][C][Branch1][Branch2][C][=N][C][=C][NH1][Ring1][Branch1][=C][C][Branch1][P][C][=N][C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][=N][O][Ring1][#Branch2][=C][Ring2][Ring1][Branch1] | c1cc5cc6c1.c16nc4no1.c15ncc[nH]1.C14CCOC1 |
1928452 | CN(C)C(=O)CCc1cccc(NC(=O)NCCc2n[nH]c(N)n2)c1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][C][C][=N][NH1][C][Branch1][C][N][=N][Ring1][=Branch1][=C][Ring2][Ring1][C] | c19cccc7c1.c18n[nH]c(N)n1.C3(=O)CC9.CN3C.C45=O.C6C8.N47.N56 |
1928454 | CN(Cc1noc(C2CCC2)n1)C(=O)C1CCOc2ccccc2C1 | [C][N][Branch1][P][C][C][=N][O][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][=N][Ring1][=Branch2][C][=Branch1][C][=O][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O] | C15CCOc2ccccc2C1.c16noc7n1.C17CCC1.CN34.C35=O.C46 |
1928455 | CCOC(=O)c1ccc(CNc2nccc(-c3cccnc3)n2)o1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][N][O][Ring2][Ring1][Ring1] | c17nccc%10n1.c18ccc9o1.c1%10cccnc1.C48=O.CC5.O45.C69.N67 |
1928456 | Cn1nc(C(F)(F)F)cc1C(=O)N1CCC(C)(O)C(O)C1 | [C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][=Branch2] | N12CCC(C)(O)C(O)C1.Cn1nc4cc13.C4(F)(F)F.C23=O |
1928457 | CCn1nc(-c2ccc3c(c2)OCCO3)nc1N(C)C | [C][C][N][N][=C][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][N][=C][Ring1][#C][N][Branch1][C][C][C] | c16ccc2c(c1)OCCO2.n15nc6nc14.N4(C)C.CC5 |
1928460 | O=C(Cc1cscn1)N1CCC(C(O)c2cccs2)CC1 | [O][=C][Branch1][=Branch2][C][C][=C][S][C][=N][Ring1][Branch1][N][C][C][C][Branch1][N][C][Branch1][C][O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][=N] | N13CCC6CC1.c14cscn1.c15cccs1.O=C3C4.C56O |
1928461 | Cc1nonc1OCCNC(=O)Nc1cn(C)nn1 | [C][C][=N][O][N][=C][Ring1][Branch1][O][C][C][N][C][=Branch1][C][=O][N][C][=C][N][Branch1][C][C][N][=N][Ring1][=Branch1] | Cc1nonc15.c17cn(C)nn1.C4C6.C23=O.O45.N26.N37 |
1928462 | O=C(Nc1cnns1)N1CCc2sccc2C1 | [O][=C][Branch1][=Branch2][N][C][=C][N][=N][S][Ring1][Branch1][N][C][C][C][S][C][=C][C][=Ring1][Branch1][C][Ring1][=Branch2] | N14CCc2sccc2C1.c15cnns1.O=C34.N35 |
1928463 | c1cc2c(cc1-c1nc(C3CCC3)n[nH]1)OCCO2 | [C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][Ring1][=Branch1][C][=N][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][=N][NH1][Ring1][=Branch2][O][C][C][O][Ring1][P] | c1cc2c(cc15)OCCO2.c15nc4n[nH]1.C14CCC1 |
1928464 | CC(C)n1cc(NC(=O)NCCc2nc(-c3cccnc3)n[nH]2)nn1 | [C][C][Branch1][C][C][N][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][NH1][Ring1][O][N][=N][Ring2][Ring1][=Branch1] | n18cc7nn1.c19nc%10n[nH]1.c1%10cccnc1.CC8C.C45=O.C6C9.N47.N56 |
1928465 | CCCN1CC(NC(=O)Nc2ccc(OCC)cc2F)CC1=O | [C][C][C][N][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=Branch2][F][C][C][Ring2][Ring1][Ring1][=O] | c17ccc6cc1F.N19CC8CC1=O.CCC9.C34=O.N38.N47.O56.C5C |
1928467 | Cc1nn(C(F)F)cc1-c1cccc2ncccc12 | [C][C][=N][N][Branch1][=Branch1][C][Branch1][C][F][F][C][=C][Ring1][Branch2][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c14cccc2ncccc12.Cc1nn3cc14.C3(F)F |
1928469 | CCN(Cc1noc(C2CC2)n1)C(=O)Nc1ccc(C)cc1 | [C][C][N][Branch1][S][C][C][=N][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c17ccc(C)cc1.c18noc9n1.N356.C19CC1.C34=O.CC5.C68.N47 |
1928470 | CC(NC(=O)Nc1cc(-c2cccnc2)nn1C)C1=CCCCC1 | [C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][N][Ring1][O][C][C][=C][C][C][C][C][Ring1][=Branch1] | CC5C1=CCCCC1.c16cc7nn1C.c17cccnc1.C34=O.N35.N46 |
1928471 | c1ccc(CCn2nc(C3CCOCC3)nc2C2CCOC2)cc1 | [C][=C][C][=C][Branch2][Ring1][O][C][C][N][N][=C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][N][=C][Ring1][O][C][C][C][O][C][Ring1][Branch1][C][=C][Ring2][Ring1][Branch2] | n14nc6nc17.c1ccc5cc1.C16CCOCC1.C17CCOC1.C5C4 |
1928472 | CCOc1ncccc1-c1nc(C2CCOC2)no1 | [C][C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][Branch2][C][C][C][O][C][Ring1][Branch1][=N][O][Ring1][#Branch2] | c14ncccc16.c16nc5no1.C15CCOC1.CC3.O34 |
1928473 | CCn1cc(NC(=O)NCCCN(C)c2ccccc2)c(C)n1 | [C][C][N][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=N][Ring2][Ring1][Branch1] | n19cc7c(C)n1.c18ccccc1.C5CC6.C34=O.N68C.CC9.N37.N45 |
1928474 | OCCn1nc(C2CCCC2)nc1CCCc1ccccc1 | [O][C][C][N][N][=C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][N][=C][Ring1][#Branch2][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | n13nc6nc14.c15ccccc1.C16CCCC1.C4CC5.OCC3 |
1928477 | FC(F)(F)c1ccc(-c2cccc(CN3CCOCC3)c2)cn1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][=C][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][=N][C][=N][Ring2][Ring1][Ring1] | c15ccc7cn1.c17cccc6c1.N14CCOCC1.FC5(F)F.C46 |
1928478 | O=C1NCCCC1Nc1ncnc2c1Cc1ccccc1OC2 | [O][=C][N][C][C][C][C][Ring1][=Branch1][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][O] | c13ncnc2c1Cc1ccccc1OC2.O=C1NCCCC14.N34 |
1928479 | CC(=O)c1cc(C(=O)NCCNC(=O)c2cccnc2)cs1 | [C][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring2][Ring1][Ring1] | c17cc8cs1.c19cccnc1.CC7=O.C38=O.C5C6.C49=O.N35.N46 |
1928480 | CCn1nc(Cc2cccs2)nc1Cc1c[nH]c(=O)n(C)c1=O | [C][C][N][N][=C][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][N][=C][Ring1][O][C][C][=C][NH1][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][Branch2][=O] | c17c[nH]c(=O)n(C)c1=O.n13nc4nc16.c15cccs1.CC3.C45.C67 |
1928482 | CCCCOc1cc(F)ccc1-c1cnc2c(C(N)=O)cnn2c1 | [C][C][C][C][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][C][=N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=N][N][Ring1][Branch2][C][=Ring1][N] | c16cnc2c5cnn2c1.c14cc(F)ccc16.CCCC3.C5(N)=O.O34 |
1928483 | CCCNC(=O)c1cccc(-c2ccncc2F)c1 | [C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][F][=C][Ring1][=N] | c15cccc6c1.c16ccncc1F.CCC4.C35=O.N34 |
1928484 | Cc1cccc(Cn2ncnc2C2COCCO2)c1 | [C][C][=C][C][=C][C][Branch1][P][C][N][N][=C][N][=C][Ring1][Branch1][C][C][O][C][C][O][Ring1][=Branch1][=C][Ring2][Ring1][C] | Cc1cccc4c1.n13ncnc15.C15COCCO1.C34 |
1928485 | Cc1cc(CC2COCC2NC(=O)Cn2cnc3ccccc32)on1 | [C][C][C][=C][Branch2][Ring1][N][C][C][C][O][C][C][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][O][N][=Ring2][Ring1][Branch2] | n16cnc2ccccc21.Cc1cc7on1.C18COCC15.C4(=O)C6.C78.N45 |
1928486 | O=C(NCc1ccccc1)c1ccc(-c2ccccc2CO)o1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][O][Ring1][=N] | c18ccccc17.c16ccccc1.c15ccc8o1.O=C35.N34.C46.C7O |
1928487 | COc1ccc(-c2cnn(C(F)F)c2C)c2cccnc12 | [C][O][C][=C][C][=C][Branch1][S][C][C][=N][N][Branch1][=Branch1][C][Branch1][C][F][F][C][=Ring1][Branch2][C][C][=C][C][=C][N][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | c13ccc5c2cccnc12.c15cnn4c1C.C4(F)F.CO3 |
1928488 | CN1CCN(C(=O)c2cn[nH]n2)C(c2ccccc2)C1 | [C][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][=N][NH1][N][=Ring1][Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring1] | CN1CCN3C5C1.c15ccccc1.c14cn[nH]n1.C34=O |
1928489 | Cc1nn(C)c2nc(NCCNC(=O)c3ccc(F)cc3)sc12 | [C][C][=N][N][Branch1][C][C][C][N][=C][Branch2][Ring1][Ring2][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][C][Ring2][Ring1][=Branch1][=Ring2][Ring1][C] | Cc1nn(C)c2nc7sc12.c18ccc(F)cc1.C5C6.C48=O.N57.N46 |
1928490 | CCCSc1ccc(NC(=O)N2CCCC(O)(CO)CC2)cc1 | [C][C][C][S][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][O][Branch1][Ring1][C][O][C][C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | N14CCCC7(O)CC1.c18ccc6cc1.CCC5.C34=O.S58.N36.C7O |
1928492 | CC1(O)CCN(C(=O)COc2ccc(Cl)cc2)CC1O | [C][C][Branch1][C][O][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][C][O] | CC1(O)CCN3CC1O.c15ccc(Cl)cc1.C3(=O)C4.O45 |
1928493 | CCNC(=O)c1ccc(-c2ccccc2C(N)=O)s1 | [C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][S][Ring1][=C] | c17ccccc16.c15ccc7s1.C35=O.C6(N)=O.CC4.N34 |
1928494 | COc1ccccc1-n1ncnc1Cn1ncnn1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][N][=C][Ring1][Branch1][C][N][N][=C][N][=N][Ring1][Branch1] | c12ccccc15.n15ncnc14.n13ncnn1.CO2.C34 |
1928495 | CCOC(=O)N1CCN(C(=O)C2CCOc3ccccc3C2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][C][C][Ring2][Ring1][Ring1] | C18CCOc2ccccc2C1.N15CCN6CC1.C45=O.C68=O.CC7.O47 |
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