ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1924349 | Cn1c(C(=O)N2CCN(c3nccs3)CC2)cc(=O)n(C)c1=O | [C][N][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][C][Ring1][O][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring2][Ring1][Branch1][=O] | Cn1c6cc(=O)n(C)c1=O.N14CCN5CC1.c15nccs1.C46=O |
1924350 | Cc1nc(CN2CC(Cc3ccccc3)CC2=O)n(C)n1 | [C][C][N][=C][Branch2][Ring1][Branch1][C][N][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][=O][N][Branch1][C][C][N][=Ring2][Ring1][Ring2] | Cc1nc5n(C)n1.N14CC6CC1=O.c17ccccc1.C45.C67 |
1924351 | O=C(Nc1cccc(OCc2ccccc2)c1)N1CCCC(CO)C1 | [O][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][N][C][C][C][C][Branch1][Ring1][C][O][C][Ring1][Branch2] | c17cccc6c1.N14CCCC8C1.c19ccccc1.O=C34.N37.O56.C59.C8O |
1924352 | CC(C)CC(O)C1CCN(c2cc(C(=O)N3CCCC3)ccn2)CC1 | [C][C][Branch1][C][C][C][C][Branch1][C][O][C][C][C][N][Branch2][Ring1][=Branch1][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][C][=N][Ring1][=N][C][C][Ring2][Ring1][Ring1] | C17CCN5CC1.c15cc6ccn1.CC(C)CC7O.N14CCCC1.C46=O |
1924353 | COCc1nc2c(c(=O)[nH]1)Cc1ccccc1OC2 | [C][O][C][C][=N][C][=C][Branch1][Branch2][C][=Branch1][C][=O][NH1][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=C] | c14nc2c(c(=O)[nH]1)Cc1ccccc1OC2.CO3.C34 |
1924354 | CCc1nc2c(N3CCC4(CC3)CC(=O)N(CC)C4)ncnc2o1 | [C][C][C][=N][C][=C][Branch2][Ring1][Branch2][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][Ring1][#Branch2][N][=C][N][=C][Ring2][Ring1][Ring1][O][Ring2][Ring1][=Branch1] | N15CCC2(CC1)CC(=O)N6C2.c17nc2c5ncnc2o1.CC7.C6C |
1924355 | O=C(NCc1cnn2cccnc12)C(c1cccnc1)N1CCCC1 | [O][=C][Branch1][S][N][C][C][C][=N][N][C][=C][C][=N][C][=Ring1][=Branch2][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1] | c16cnn2cccnc12.c17cccnc1.O=C3C57.N15CCCC1.N34.C46 |
1924356 | CC(=O)N1CCCN(C(=O)Nc2ccccc2N2CCOC2=O)CC1 | [C][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][Ring1][Branch1][=O][C][C][Ring2][Ring1][=Branch1] | N13CCCN4CC1.c16ccccc17.N17CCOC1=O.CC3=O.C45=O.N56 |
1924357 | Cc1cccnc1CC(C)NC(=O)c1cc(=O)n(C)c(=O)n1C | [C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | c14cc(=O)n(C)c(=O)n1C.Cc1cccnc15.C5C3C.C24=O.N23 |
1924358 | COc1ccc(CCNC(=O)Cn2cccc(OC)c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Ring1][Branch2][=O][C][=C][Ring2][Ring1][Branch1] | n17cccc5c1=O.c14ccc8cc1.C3(=O)C7.C8C6.CO4.N36.O5C |
1924359 | COc1ncccc1CN1CC(C)(C2CC2)CC1=O | [C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][Branch1][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][Ring1][=Branch2][=O] | N14CC(C)(C2CC2)CC1=O.c13ncccc15.CO3.C45 |
1924361 | CC(C)c1nc2cc(C(=O)NCc3cnn4cccnc34)ccc2o1 | [C][C][Branch1][C][C][C][=N][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][=N][N][C][=C][C][=N][C][=Ring1][=Branch2][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][Ring1][O][Ring2][Ring1][=Branch1] | c18nc2cc7ccc2o1.c19cnn2cccnc12.CC8C.C57=O.N56.C69 |
1924362 | CCCn1cc(CNC(=O)C2CC(=O)N(Cc3cccnc3)C2)cn1 | [C][C][C][N][C][=C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][=N][C][=N][Ring2][Ring1][=Branch1] | C16CC(=O)N8C1.n17cc9cn1.c1%10cccnc1.CCC7.C46=O.C59.N45.C8%10 |
1924363 | Cc1ccc(N2CCCC(COc3ccc(F)cc3)C2)nn1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][C][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][#C][N][=N][Ring2][Ring1][Branch1] | Cc1ccc6nn1.N16CCCC7C1.c15ccc(F)cc1.C47.O45 |
1924364 | Cc1nn(C)c2nc(NCCSc3nnnn3C)sc12 | [C][C][=N][N][Branch1][C][C][C][N][=C][Branch1][=N][N][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][S][C][Ring2][Ring1][Ring1][=Ring1][#C] | Cc1nn(C)c2nc6sc12.c17nnnn1C.C4C5.N46.S57 |
1924365 | Cc1cc(C)nc(CCNC(=O)Nc2cc(C)c(F)cc2Cl)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Branch2][C][C][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][Cl][=N][Ring2][Ring1][=Branch1] | c16cc(C)c(F)cc1Cl.Cc1cc(C)nc7n1.C7C5.C34=O.N35.N46 |
1924367 | CC(C)Cc1nc(CN(C)C(=O)C2CCOc3ccccc3C2)no1 | [C][C][Branch1][C][C][C][C][=N][C][Branch2][Ring1][=Branch2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=N][O][Ring2][Ring1][Branch1] | C16CCOc2ccccc2C1.c17nc8no1.CC(C)C7.N45C.C46=O.C58 |
1924368 | CN(CC(O)CO)C(=O)Nc1ccc(SCc2ccco2)cc1 | [C][N][Branch1][Branch2][C][C][Branch1][C][O][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][S][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=N] | c17ccc9cc1.C5C(O)CO.c18ccco1.CN35.C34=O.N47.S69.C68 |
1924369 | CCOC(C)CN(C)C(=O)Nc1ccc2ncccc2c1 | [C][C][O][C][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c18ccc2ncccc2c1.C6(C)C7.N37C.C34=O.CC5.O56.N48 |
1924370 | Cc1nn(C)c2nc(N3CCC(OCc4cccnc4)CC3)sc12 | [C][C][=N][N][Branch1][C][C][C][N][=C][Branch2][Ring1][Branch1][N][C][C][C][Branch1][O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][=C][S][C][Ring2][Ring1][#Branch1][=Ring2][Ring1][Ring1] | Cc1nn(C)c2nc7sc12.N17CCC6CC1.c18cccnc1.O56.C58 |
1924371 | COc1ccc(CN2CCN(c3nccc(N)n3)CC2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][C][C][N][Branch1][N][C][=N][C][=C][C][Branch1][C][N][=N][Ring1][#Branch1][C][C][Ring1][=N][=O][C][=C][Ring2][Ring1][Branch1] | N16CCN5CC1=O.c14ccc7cc1.c15nccc(N)n1.CO4.C67 |
1924372 | CCCC1CN(C(=O)c2cccc(-c3ncc[nH]3)c2)CC1NC(C)=O | [C][C][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch2][C][=N][C][=C][NH1][Ring1][Branch1][=C][Ring1][O][C][C][Ring2][Ring1][C][N][C][Branch1][C][C][=O] | C18CN4CC16.c17cccc9c1.c19ncc[nH]1.CCC8.C47=O.C5(C)=O.N56 |
1924373 | CCCc1cc(CN(C)C(=O)C2COc3ccccc3C2)n[nH]1 | [C][C][C][C][=C][C][Branch2][Ring1][Branch2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][NH1][Ring2][Ring1][Ring2] | C16COc2ccccc2C1.c17cc8n[nH]1.CCC7.N45C.C46=O.C58 |
1924374 | CC(C)c1nc(CCNC(=O)Nc2cnns2)cs1 | [C][C][Branch1][C][C][C][=N][C][Branch1][S][C][C][N][C][=Branch1][C][=O][N][C][=C][N][=N][S][Ring1][Branch1][=C][S][Ring1][S] | c17nc8cs1.c16cnns1.CC7C.C8C5.C34=O.N35.N46 |
1924375 | CCc1nc(CNc2nc3c(s2)c(C)nn3C)cs1 | [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.CC6.C47.N45 |
1924376 | COc1cccn(CC(=O)N2CCCCC2c2ccc(F)cc2)c1=O | [C][O][C][=C][C][=C][N][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring2][Ring1][=Branch1][=O] | c14cccn5c1=O.N13CCCCC16.c16ccc(F)cc1.C5C3=O.CO4 |
1924377 | Cn1c(C(=O)N2CCC(CCn3cccn3)CC2)cc(=O)n(C)c1=O | [C][N][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch2][C][C][N][C][=C][C][=N][Ring1][Branch1][C][C][Ring1][=N][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring2][Ring1][#Branch1][=O] | Cn1c5cc(=O)n(C)c1=O.N14CCC7CC1.n16cccn1.C45=O.C7C6 |
1924378 | CCc1nc(CCNC(=O)C2CC(=O)N(Cc3ccccn3)C2)no1 | [C][C][C][=N][C][Branch2][Ring1][=N][C][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring1][=N][=N][O][Ring2][Ring1][#Branch1] | C16CC(=O)N7C1.c18nc9no1.c1%10ccccn1.C9C5.C46=O.CC8.N45.C7%10 |
1924380 | COCCc1nc(CNc2nc3c(s2)c(C)nn3C)no1 | [C][O][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][=N][O][Ring1][P] | c16nc2c(s1)c(C)nn2C.c17nc8no1.C4C7.CO4.C58.N56 |
1924381 | CNC(=O)CCCNC(=O)Nc1cccc2nc(C)ccc12 | [C][N][C][=Branch1][C][=O][C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][C][Branch1][C][C][=C][C][=C][Ring1][O][Ring1][#Branch1] | c17cccc2nc(C)ccc12.C3(=O)CCC6.C45=O.CN3.N46.N57 |
1924382 | Cc1ccc(-c2noc(-c3cc(C)c(C)n(C)c3=O)n2)nn1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][=N][O][C][Branch2][Ring1][Ring1][C][=C][C][Branch1][C][C][=C][Branch1][C][C][N][Branch1][C][C][C][Ring1][=Branch2][=O][=N][Ring1][#C][N][=N][Ring2][Ring1][Branch1] | c15cc(C)c(C)n(C)c1=O.Cc1ccc4nn1.c14noc5n1 |
1924383 | CC1=CCN(C(=O)Nc2ccc3c(c2)N(C)C(=O)C(C)O3)CC1 | [C][C][=C][C][N][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][O][Ring1][#Branch2][C][C][Ring2][Ring1][=Branch1] | c16ccc2c(c1)N(C)C(=O)C(C)O2.CC1=CCN4CC1.C45=O.N56 |
1924384 | Cc1nn(C)c2nc(N3CCC4(CCCC4)C3)sc12 | [C][C][=N][N][Branch1][C][C][C][N][=C][Branch1][S][N][C][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][Ring1][=Branch2][S][C][Ring2][Ring1][C][=Ring1][=C] | Cc1nn(C)c2nc5sc12.N15CCC2(CCCC2)C1 |
1924385 | COCC1(N(C)C(=O)Nc2cc(F)cc(C(F)(F)F)c2)CC1 | [C][O][C][C][Branch2][Ring1][#C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][C][Ring2][Ring1][Ring1] | c17cc9cc(F)c1.C168CC1.C9(F)(F)F.N36C.C34=O.CO5.C58.N47 |
1924386 | O=c1[nH]nc(CCNc2nc3c(c(=O)[nH]2)Cc2ccccc2OC3)[nH]1 | [O][=C][NH1][N][=C][Branch2][Ring1][=C][C][C][N][C][=N][C][=C][Branch1][Branch2][C][=Branch1][C][=O][NH1][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=C][NH1][Ring2][Ring1][Branch2] | c15nc2c(c(=O)[nH]1)Cc1ccccc1OC2.O=c1[nH]nc6[nH]1.C6C4.N45 |
1924387 | CN(C)C(=O)CN1C(=O)C2CCC1CN(C(=O)c1ncc[nH]1)C2 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch1][C][N][Branch1][N][C][=Branch1][C][=O][C][=N][C][=C][NH1][Ring1][Branch1][C][Ring1][=C] | N16C(=O)C2CCC1CN4C2.c15ncc[nH]1.C3(=O)C6.CN3C.C45=O |
1924388 | Cc1nc(C2CCCN(C(=O)CN3CC4(CCCC4)CC3=O)C2)no1 | [C][C][=N][C][Branch2][Ring2][C][C][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][C][Ring1][=Branch2][=O][C][Ring2][Ring1][Ring1][=N][O][Ring2][Ring1][Branch2] | N16CC2(CCCC2)CC1=O.C17CCCN5C1.Cc1nc7no1.C5(=O)C6 |
1924389 | N#Cc1ccc(NC(=O)N2CCCN(C(=O)C3CCC3)CC2)cn1 | [N][#C][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][C][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][C][Ring1][=N][C][=N][Ring2][Ring1][=Branch1] | N#Cc1ccc7cn1.N15CCCN6CC1.C18CCC1.C45=O.C68=O.N47 |
1924390 | CC(C)c1ccc(-c2nc(-c3cccnn3)no2)c(=O)[nH]1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=N][Ring1][=Branch1][=N][O][Ring1][O][C][=Branch1][C][=O][NH1][Ring2][Ring1][C] | c14ccc6c(=O)[nH]1.c16nc5no1.c15cccnn1.CC4C |
1924391 | O=C(NCc1ccc(CO)cc1)C1CCOc2ccccc2C1 | [O][=C][Branch1][#C][N][C][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O] | C15CCOc2ccccc2C1.c16ccc7cc1.O=C35.N34.C46.C7O |
1924392 | COc1cccn(CC(=O)N2CC3CC=CCC3C2)c1=O | [C][O][C][=C][C][=C][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring2][Ring1][C][=O] | N14CC2CC=CCC2C1.c15cccn6c1=O.C6C4=O.CO5 |
1924393 | COc1cccc(OCC2CCCN(c3ccc(C)nn3)C2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][O][C][C][C][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][C][N][=N][Ring1][#Branch1][C][Ring1][=N][=C][Ring2][Ring1][Branch1] | c15cccc6c1.C18CCCN7C1.c17ccc(C)nn1.CO5.O46.C48 |
1924394 | COCCN(C)c1nc2c(c(=O)[nH]1)Cc1ccccc1OC2 | [C][O][C][C][N][Branch1][C][C][C][=N][C][=C][Branch1][Branch2][C][=Branch1][C][=O][NH1][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=C] | c15nc2c(c(=O)[nH]1)Cc1ccccc1OC2.C3C4.N45C.CO3 |
1924395 | N#CC1CCN(C(=O)CN2C(=O)OCC2c2ccccc2)CC1 | [N][#C][C][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch1] | N#CC1CCN3CC1.N14C(=O)OCC15.c15ccccc1.C3(=O)C4 |
1924396 | COCCN(Cc1ccccc1F)C(=O)CN1CCCCC1=O | [C][O][C][C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O] | c17ccccc1F.N16CCCCC1=O.C2(=O)C6.C3C4.N245.CO3.C57 |
1924398 | CC1=CCN(C(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CC1 | [C][C][=C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][Cl][C][C][Ring2][Ring1][Ring2] | c15cc(S(N)(=O)=O)ccc1Cl.CC1=CCN3CC1.C34=O.N45 |
1924399 | Cc1nc(C(C)N(C)c2nc3c(s2)c(C)nn3C)c(C)s1 | [C][C][=N][C][Branch2][Ring1][O][C][Branch1][C][C][N][Branch1][C][C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][Branch1][C][C][=N][N][Ring1][#Branch1][C][=C][Branch1][C][C][S][Ring2][Ring1][Ring2] | c15nc2c(s1)c(C)nn2C.Cc1nc6c(C)s1.C46C.N45C |
1924400 | O=C1C2CCC(CN(Cc3nccs3)C2)N1Cc1cscn1 | [O][=C][C][C][C][C][Branch1][S][C][N][Branch1][=Branch2][C][C][=N][C][=C][S][Ring1][Branch1][C][Ring1][=N][N][Ring1][#C][C][C][=C][S][C][=N][Ring1][Branch1] | O=C1C2CCC(CN4C2)N15.c16nccs1.c17cscn1.C46.C57 |
1924401 | Cc1nc(CN2CC(CC(C)C)CC2=O)n(C)n1 | [C][C][N][=C][Branch2][Ring1][C][C][N][C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=Branch2][=O][N][Branch1][C][C][N][=Ring1][P] | Cc1nc4n(C)n1.N13CC5CC1=O.C5C(C)C.C34 |
1924402 | O=C(CN1C(=O)OCC1c1ccccc1)N1CCC(F)(F)CC1 | [O][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2] | N12CCC(F)(F)CC1.N13C(=O)OCC14.c14ccccc1.O=C2C3 |
1924403 | CN(Cc1ccccc1C(F)(F)F)C(=O)CN1CCCCC1=O | [C][N][Branch2][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O] | c15ccccc16.N14CCCCC1=O.C6(F)(F)F.C2(=O)C4.CN23.C35 |
1924404 | Cc1nc2ccccc2nc1CN1CC(=O)N(C)c2ccccc2C1=O | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][C][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O] | N13CC(=O)N(C)c2ccccc2C1=O.Cc1nc2ccccc2nc14.C34 |
1924405 | CCN(Cc1noc(C)n1)C(=O)CN1C(=O)COc2cccnc21 | [C][C][N][Branch1][N][C][C][=N][O][C][Branch1][C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][O] | C3(=O)CN1C(=O)COc2cccnc21.c16noc(C)n1.N345.CC4.C56 |
1924406 | COc1cccn(CC(=O)N2CCN(C3CCCC3)C(=O)C2)c1=O | [C][O][C][=C][C][=C][N][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][C][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][C][Ring1][N][C][Ring2][Ring1][Branch1][=O] | c15cccn6c1=O.N14CCN7C(=O)C1.C17CCCC1.C6C4=O.CO5 |
1924407 | Cc1nn(C)c2nc(N3CCN(c4cccnc4)CC3)sc12 | [C][C][=N][N][Branch1][C][C][C][N][=C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][N][S][C][Ring2][Ring1][Branch1][=Ring1][P] | Cc1nn(C)c2nc5sc12.N15CCN6CC1.c16cccnc1 |
1924408 | O=C(NCCN1CCNC1=O)Nc1ccnn1C1CCCCC1 | [O][=C][Branch1][N][N][C][C][N][C][C][N][C][Ring1][Branch1][=O][N][C][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1] | N16CCNC1=O.c15ccnn17.C17CCCCC1.O=C23.C4C6.N24.N35 |
1924409 | CC1(C2CC2)CC(=O)N(CC(=O)N2CC(Oc3ccccc3)C2)C1 | [C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][C][Ring2][Ring1][#Branch1] | CC1(C2CC2)CC(=O)N7C1.c16ccccc1.N14CC5C1.C7C4=O.O56 |
1924410 | O=C1CC(C(=O)N2CCc3ncccc3C2)CN1Cc1cccnc1 | [O][=C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][N][Ring1][P][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | N14CCc2ncccc2C1.O=C1CC5CN16.c17cccnc1.C45=O.C67 |
1924411 | O=C(NCCc1ccco1)C1CCOc2ccccc2C1 | [O][=C][Branch1][O][N][C][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O] | C15CCOc2ccccc2C1.c16ccco1.O=C35.C4C6.N34 |
1924412 | O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)N1CCOCC(O)C1 | [O][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][Branch1][C][Cl][=C][Ring1][N][N][C][C][O][C][C][Branch1][C][O][C][Ring1][Branch2] | c15ccc6c(Cl)c1.N14CCOCC(O)C1.n16ccnc1.O=C34.N35 |
1924413 | COCCN1C(=O)C2CCC1CN(C(=O)c1ccnc(N)c1)C2 | [C][O][C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][#Branch1][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][C][N][=C][Ring1][#Branch1][C][Ring1][S] | N16C(=O)C2CCC1CN3C2.c15ccnc(N)c1.C4C6.C35=O.CO4 |
1924414 | COc1ccc(Cc2nc(-c3cc(C(C)C)on3)n(C)n2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][C][N][=C][Branch1][#C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][O][N][=Ring1][Branch2][N][Branch1][C][C][N][=Ring1][=C][C][=C][Ring2][Ring1][Branch1][O][C] | c14ccc8cc15.c16nc9n(C)n1.c19cc7on1.C7(C)C.CO4.C68.O5C |
1924415 | Cn1nc(-c2cccnc2)cc1NC(=O)N1CCOCC(CO)C1 | [C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][O][N][C][=Branch1][C][=O][N][C][C][O][C][C][Branch1][Ring1][C][O][C][Ring1][=Branch2] | N14CCOCC6C1.Cn1nc7cc15.c17cccnc1.C34=O.N35.C6O |
1924416 | COCCN(Cc1ccc(C)cc1)C(=O)CN1CCCCC1=O | [C][O][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O] | c17ccc(C)cc1.N16CCCCC1=O.C2(=O)C6.C3C4.N245.CO3.C57 |
1924417 | CC(C)C1COC(=O)N1CC(=O)N(C)CCCn1cccn1 | [C][C][Branch1][C][C][C][C][O][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][N][C][=C][C][=N][Ring1][Branch1] | C16COC(=O)N15.n14cccn1.C5C2=O.C3CC4.CC6C.N23C |
1924418 | O=C(Nc1cccc2cn[nH]c12)NC1CCOCC1 | [O][=C][Branch1][#C][N][C][=C][C][=C][C][C][=N][NH1][C][Ring1][=Branch2][=Ring1][Branch1][N][C][C][C][O][C][C][Ring1][=Branch1] | c15cccc2cn[nH]c12.C16CCOCC1.O=C34.N35.N46 |
1924420 | CCC1(CNC(=O)C(c2ccccc2C)N(C)C)CCC1 | [C][C][C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][C][C][C][Ring2][Ring1][Ring1] | c18ccccc1C.C167CCC1.C3(=O)C58.N5(C)C.CC6.C47.N34 |
1924421 | Cc1cc2cc(NC(=O)N(C)Cc3c(C)nn(C)c3C)ccc2o1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][=C][C][=C][Ring2][Ring1][Ring2][O][Ring2][Ring1][#Branch1] | Cc1cc2cc7ccc2o1.c18c(C)nn(C)c1C.C45=O.N56C.N47.C68 |
1924422 | CCOC(=O)N1CCN(c2nc3c(s2)c(C)nn3C)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][Branch1][C][C][=N][N][Ring1][#Branch1][C][C][C][Ring1][S] | c17nc2c(s1)c(C)nn2C.N15CCN7CC1.C45=O.CC6.O46 |
1924423 | CS(=O)(=O)N1CCC2(O)CCN(c3ccnc(N)n3)CC2C1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][O][C][C][N][Branch1][N][C][=C][C][=N][C][Branch1][C][N][=N][Ring1][#Branch1][C][C][Ring1][=C][C][Ring2][Ring1][C] | N14CCC2(O)CCN5CC2C1.c15ccnc(N)n1.CS4(=O)=O |
1924424 | CCc1nc(C)ccc1OCC(=O)NCC1COc2ccccc2C1 | [C][C][C][=N][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | C18COc2ccccc2C1.c17nc(C)ccc15.C4C3=O.CC7.O45.N36.C68 |
1924425 | COCCC1CCCCN1C(=O)CN1C(=O)CCc2ccccc21 | [C][O][C][C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | C3(=O)CN1C(=O)CCc2ccccc21.C15CCCCN13.C4C5.CO4 |
1924426 | COC1CCN(C(=O)Cn2ncc(N3CCCCC3)cc2=O)C1 | [C][O][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][N][N][=C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=C][C][Ring1][N][=O][C][Ring2][Ring1][Branch1] | n17ncc6cc1=O.C15CCN4C1.N16CCCCC1.C4(=O)C7.CO5 |
1924427 | O=C1CCCCN1CC(=O)N(Cc1ccccc1)CC(F)(F)F | [O][=C][C][C][C][C][N][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][F][Branch1][C][F][F] | O=C1CCCCN15.c16ccccc1.C4C(F)(F)F.C5C2=O.N234.C36 |
1924428 | Cc1ccccc1C(C(=O)NC1(C(N)=O)CCCC1)N(C)C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][C][C][Ring1][Branch2][N][Branch1][C][C][C] | Cc1ccccc16.C145CCCC1.C36C2=O.C5(N)=O.N3(C)C.N24 |
1924429 | CN(C)c1nc2c(c(=O)[nH]1)Cc1ccccc1OC2 | [C][N][Branch1][C][C][C][=N][C][=C][Branch1][Branch2][C][=Branch1][C][=O][NH1][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=C] | c13nc2c(c(=O)[nH]1)Cc1ccccc1OC2.CN3C |
1924430 | CCOCc1nc(-c2csc(SC)n2)n(C)n1 | [C][C][O][C][C][N][=C][Branch1][N][C][=C][S][C][Branch1][Ring1][S][C][=N][Ring1][#Branch1][N][Branch1][C][C][N][=Ring1][=N] | c15nc7n(C)n1.c17csc6n1.CC3.O34.C45.S6C |
1924431 | Cc1nn(C)c2nc(N3CCCCCC3)sc12 | [C][C][=N][N][Branch1][C][C][C][N][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][S][C][Ring1][S][=Ring1][N] | Cc1nn(C)c2nc4sc12.N14CCCCCC1 |
1924432 | O=C(Nc1ccc2[nH]ccc2c1)N1CCN(C2CCOCC2)CC1 | [O][=C][Branch1][#C][N][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][N][C][C][N][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][N] | c15ccc2[nH]ccc2c1.N14CCN6CC1.C16CCOCC1.O=C34.N35 |
1924434 | COc1ccc(C(C)(C)C)cc1NC(=O)NC1CCCNC1=O | [C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][C][C][N][C][Ring1][=Branch1][=O] | c14ccc7cc15.C16CCCNC1=O.C7(C)(C)C.C23=O.CO4.N25.N36 |
1924435 | CC1(C)CNC(=O)c2nc(CCc3ccco3)[nH]c2C1 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][N][=C][Branch1][#Branch2][C][C][C][=C][C][=C][O][Ring1][Branch1][NH1][C][=Ring1][N][C][Ring2][Ring1][Ring1] | CC1(C)CNC(=O)c2nc4[nH]c2C1.c15ccco1.C4C5 |
1924436 | CN(Cc1cc2ccccc2s1)C(=O)CN1CCCCC1=O | [C][N][Branch1][#C][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O] | c16cc2ccccc2s1.N15CCCCC1=O.C3(=O)C5.CN34.C46 |
1924437 | Cc1ccc2oc(=O)n(Cc3nc(-c4cccnn4)no3)c2c1 | [C][C][=C][C][=C][O][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=N][Ring1][=Branch1][=N][O][Ring1][O][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc2oc(=O)n5c2c1.c16nc7no1.c17cccnn1.C56 |
1924438 | CC1=CCN(C(=O)Nc2ccc3oc(=O)n(C)c3c2)CC1 | [C][C][=C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch1][=C][Ring1][O][C][C][Ring2][Ring1][Ring2] | c16ccc2oc(=O)n(C)c2c1.CC1=CCN4CC1.C45=O.N56 |
1924439 | Cc1cc(-c2ccccc2)nc(CN2CCN(C)C2=O)n1 | [C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][=N][C][N][C][C][N][Branch1][C][C][C][Ring1][=Branch1][=O][=N][Ring2][Ring1][Ring2] | Cc1cc5nc4n1.N13CCN(C)C1=O.c15ccccc1.C34 |
1924440 | O=C1CCCCN1CC(=O)N1CCOc2ccc(Cl)cc2C1 | [O][=C][C][C][C][C][N][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][N] | N13CCOc2ccc(Cl)cc2C1.O=C1CCCCN14.C4C3=O |
1924442 | CC(=O)N1CCN(c2nc3c(s2)c(C)nn3C)CC1 | [C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][Branch1][C][C][=N][N][Ring1][#Branch1][C][C][C][Ring1][S] | c15nc2c(s1)c(C)nn2C.N14CCN5CC1.CC4=O |
1924443 | CN(Cc1noc2c1CCCC2)C(=O)CN1CCCCCC1=O | [C][N][Branch1][#C][C][C][=N][O][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][C][C][C][C][C][Ring1][#Branch1][=O] | c16noc2c1CCCC2.N15CCCCCC1=O.C3(=O)C5.CN34.C46 |
1924444 | Cc1cc(=O)n(Cc2nc(-c3cccnn3)no2)nc1C | [C][C][=C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=N][Ring1][=Branch1][=N][O][Ring1][O][N][=C][Ring2][Ring1][Ring1][C] | Cc1cc(=O)n4nc1C.c15nc6no1.c16cccnn1.C45 |
1924445 | O=C1CC(C(=O)N2CC(c3cccnc3)C2)CN1Cc1cccnc1 | [O][=C][C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][N][Ring1][P][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | O=C1CC5CN16.c18cccnc1.c17cccnc1.N14CC8C1.C45=O.C67 |
1924446 | COc1cccn(CC(=O)N(C)CC2COCCO2)c1=O | [C][O][C][=C][C][=C][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][O][C][C][O][Ring1][=Branch1][C][Ring2][Ring1][C][=O] | c14cccn6c1=O.C17COCCO1.C6C3=O.N35C.CO4.C57 |
1924449 | CCn1ccc(CN2CC(c3ccccc3)CC2=O)n1 | [C][C][N][C][=C][C][Branch2][Ring1][Ring2][C][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][O][=O][=N][Ring2][Ring1][C] | N15CC7CC1=O.n14ccc6n1.c17ccccc1.CC4.C56 |
1924450 | Cn1nc(-c2ccncc2)nc1CCc1cccc(F)c1 | [C][N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | Cn1nc5nc13.c14cccc(F)c1.c15ccncc1.C3C4 |
1924452 | Cc1ccccc1C(C(=O)NCc1ccc(CO)cc1)N(C)C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][N][Branch1][C][C][C] | Cc1ccccc15.c16ccc7cc1.C35C2=O.N3(C)C.N24.C46.C7O |
1924453 | Nc1ncc(-c2nc(-c3cccnn3)no2)c(-c2ccccc2)n1 | [N][C][=N][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=N][Ring1][=Branch1][=N][O][Ring1][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][#Branch1] | Nc1ncc5c6n1.c15nc4no1.c14cccnn1.c16ccccc1 |
1924455 | CCN(CC)C(=O)C1CC(NC(=O)Cc2ccc(O)cc2)CN1C | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][N][Ring1][S][C] | C18CC7CN1C.c19ccc(O)cc1.C4(=O)C9.N356.C38=O.CC5.C6C.N47 |
1924456 | CCC(NC(C)=O)c1nc(-c2ccc(C)nn2)no1 | [C][C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][C][N][=N][Ring1][#Branch1][=N][O][Ring1][N] | c16ccc(C)nn1.c15nc6no1.CCC45.C3(C)=O.N34 |
1924457 | Cc1nn(C)c2nc(NCc3nnc4n3CCCCC4)sc12 | [C][C][=N][N][Branch1][C][C][C][N][=C][Branch1][P][N][C][C][=N][N][=C][N][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1][S][C][Ring2][Ring1][Branch1][=Ring1][P] | Cc1nn(C)c2nc6sc12.c17nnc2n1CCCCC2.N56.C57 |
1924458 | CC(C)(O)CNc1nc2c(c(=O)[nH]1)Cc1ccccc1OC2 | [C][C][Branch1][C][C][Branch1][C][O][C][N][C][=N][C][=C][Branch1][Branch2][C][=Branch1][C][=O][NH1][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=C] | c14nc2c(c(=O)[nH]1)Cc1ccccc1OC2.CC(C)(O)C3.N34 |
1924459 | Cc1nn(C)c2nc(N(C)CCc3noc(C(C)C)n3)sc12 | [C][C][=N][N][Branch1][C][C][C][N][=C][Branch2][Ring1][Branch1][N][Branch1][C][C][C][C][C][=N][O][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring1][Branch2][S][C][Ring2][Ring1][Branch1][=Ring1][P] | Cc1nn(C)c2nc5sc12.c16noc7n1.N45C.C4C6.C7(C)C |
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