ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
5465 | CS(=O)(=O)c1[nH]nc(-c2cccc(Cl)c2)c1C#N | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][NH1][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Ring1][N][C][#N] | CS(=O)(=O)c1[nH]nc3c1C#N.c13cccc(Cl)c1 |
5466 | CS(=O)(=O)c1[nH]nc(-c2ccc(Cl)cc2)c1C#N | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][NH1][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][N][C][#N] | CS(=O)(=O)c1[nH]nc3c1C#N.c13ccc(Cl)cc1 |
5467 | CS(=O)(=O)c1[nH]nc(-c2ccccc2Cl)c1C#N | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][NH1][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][N][C][#N] | CS(=O)(=O)c1[nH]nc3c1C#N.c13ccccc1Cl |
5468 | CS(=O)(=O)c1noc(-c2ccc(Cl)cc2)c1C#N | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][N][C][#N] | CS(=O)(=O)c1noc3c1C#N.c13ccc(Cl)cc1 |
5469 | O=C1CC(c2ccccc2)n2nc(NC(=O)c3ccco3)nc2N1 | [O][=C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][N][=C][Ring1][=N][N][Ring2][Ring1][#Branch1] | O=C1CC(c2ccccc2)n2nc5nc2N1.c16ccco1.C46=O.N45 |
5470 | CS(=O)(=O)c1noc(-c2cccs2)c1C#N | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=N][O][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][#Branch2][C][#N] | CS(=O)(=O)c1noc3c1C#N.c13cccs1 |
5471 | Nc1cscc1S(=O)(=O)c1ccc(Cl)cc1 | [N][C][=C][S][C][=C][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | Nc1cscc1S(=O)(=O)c1ccc(Cl)cc1 |
5472 | N#Cc1cccc(CS(=O)(=O)c2ccccn2)c1 | [N][#C][C][=C][C][=C][C][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][S] | C3S(=O)(=O)c1ccccn1.N#Cc1cccc3c1 |
5475 | Cc1onc(-c2ccccc2)c1C(=O)N1CCC(C)CC1 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1] | Cc1onc5c14.N13CCC(C)CC1.c15ccccc1.C34=O |
5476 | CSc1nc(N)n2nc(-c3ccc(Cl)cc3)cc2n1 | [C][S][C][N][=C][Branch1][C][N][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][N][N][=Ring1][P] | c14nc(N)n2nc5cc2n1.c15ccc(Cl)cc1.CS4 |
5477 | CSc1nc(N)n2nc(-c3cccs3)cc2n1 | [C][S][C][N][=C][Branch1][C][N][N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][#Branch2][N][=Ring1][#C] | c14nc(N)n2nc5cc2n1.c15cccs1.CS4 |
5478 | CC(=O)c1cccc(NC(=O)CSc2nc3ccccc3o2)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][Ring2][Ring1][Ring2] | c18nc2ccccc2o1.c17cccc6c1.C4(=O)C5.CC7=O.N46.S58 |
5479 | CC(C)C(=O)Nc1cscc1S(=O)(=O)c1ccc(Cl)cc1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][S][C][=C][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c13cscc1S(=O)(=O)c1ccc(Cl)cc1.CC(C)C2=O.N23 |
5480 | CCOC(=O)c1cnc2cc(-c3ccc(Cl)cc3)nn2c1C | [C][C][O][C][=Branch1][C][=O][C][C][=N][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][Ring1][N][C][=Ring1][S][C] | c16cnc2cc7nn2c1C.c17ccc(Cl)cc1.C46=O.CC5.O45 |
5481 | CCOC(=O)c1cnc2cc(-c3ccccc3)nn2c1C | [C][C][O][C][=Branch1][C][=O][C][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][O][C][=Ring1][#C][C] | c16cnc2cc7nn2c1C.c17ccccc1.C46=O.CC5.O45 |
5482 | CCOC(=O)c1cnc2cc(-c3cccs3)nn2c1C | [C][C][O][C][=Branch1][C][=O][C][C][=N][C][=C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][N][Ring1][#Branch2][C][=Ring1][=C][C] | c16cnc2cc7nn2c1C.c17cccs1.C46=O.CC5.O45 |
5483 | COC(=O)c1sc(S(C)(=O)=O)c(C#N)c1-c1cccs1 | [C][O][C][=Branch1][C][=O][C][S][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Branch1][Ring1][C][#N][C][=Ring1][O][C][=C][C][=C][S][Ring1][Branch1] | c13sc(S(C)(=O)=O)c(C#N)c14.c14cccs1.C23=O.CO2 |
5484 | CN(C)C(=O)CS(=O)(=O)c1ccc(Cl)cc1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | C2(=O)CS(=O)(=O)c1ccc(Cl)cc1.CN2C |
5485 | COC(=O)c1scc(S(=O)(=O)c2ccccc2)c1N | [C][O][C][=Branch1][C][=O][C][S][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=C][N] | c14scc(S(=O)(=O)c2ccccc2)c1N.C34=O.CO3 |
5486 | CCC(Sc1nncn1C)C(=O)Nc1nc2c(s1)CCCC2 | [C][C][C][Branch1][#Branch2][S][C][=N][N][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1] | c15nc2c(s1)CCCC2.CCC4C3=O.c16nncn1C.S46.N35 |
5487 | COc1cscc1C(=O)Nc1ccc(Cl)cc1 | [C][O][C][=C][S][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14ccc(Cl)cc1.c13cscc15.C25=O.CO3.N24 |
5488 | CC(=O)Nc1cscc1S(=O)(=O)c1ccccc1 | [C][C][=Branch1][C][=O][N][C][=C][S][C][=C][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13cscc1S(=O)(=O)c1ccccc1.CC2=O.N23 |
5489 | CC(=O)c1cnc2cc(-c3ccccc3)nn2c1C | [C][C][=Branch1][C][=O][C][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][O][C][=Ring1][#C][C] | c14cnc2cc5nn2c1C.c15ccccc1.CC4=O |
5490 | COC(=O)c1scc(S(=O)(=O)C(C)(C)C)c1N | [C][O][C][=Branch1][C][=O][C][S][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=Ring1][N][N] | c13scc(S(=O)(=O)C(C)(C)C)c1N.C23=O.CO2 |
5491 | COc1ncccc1C(=O)Nc1ccc(F)cc1F | [C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c14ccc(F)cc1F.c13ncccc15.C25=O.CO3.N24 |
5492 | COc1ncccc1C(=O)Nc1ccccc1Cl | [C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c13ncccc15.c14ccccc1Cl.C25=O.CO3.N24 |
5493 | COc1cccc(-c2nnc(SCC(N)=O)n2-c2ccccc2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][=N][N][=C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1] | c13cccc7c1.c17nnc6n15.c15ccccc1.C4C(N)=O.CO3.S46 |
5494 | COC(=O)c1scc(S(=O)(=O)C(C)C)c1N | [C][O][C][=Branch1][C][=O][C][S][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][C][C][=Ring1][O][N] | c13scc(S(=O)(=O)C(C)C)c1N.C23=O.CO2 |
5495 | CCOC(=O)Cn1c(=O)ccc2c(C)cc(C)nc21 | [C][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Branch1][C][C][N][=C][Ring1][Branch2][Ring1][=N] | n15c(=O)ccc2c(C)cc(C)nc21.C3(=O)C5.CC4.O34 |
5498 | O=C(NCCc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 | [O][=C][Branch1][#C][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c15nc2ccccc2[nH]1.c16ccc(Cl)cc1.O=C35.C4C6.N34 |
5499 | COC(=O)c1scc(S(C)(=O)=O)c1Cl | [C][O][C][=Branch1][C][=O][C][S][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=Ring1][=Branch2][Cl] | c13scc(S(C)(=O)=O)c1Cl.C23=O.CO2 |
5500 | Cn1cc(Br)c(-c2cccc(N)c2)n1 | [C][N][C][=C][Branch1][C][Br][C][Branch1][N][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][=N][Ring1][=N] | Cn1cc(Br)c3n1.c13cccc(N)c1 |
5501 | Nc1ccccc1SCCS(=O)(=O)c1ccc(Cl)cc1 | [N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | C2CS(=O)(=O)c1ccc(Cl)cc1.Nc1ccccc13.S23 |
5502 | Cc1cc2ncc(S(=O)(=O)C(C)(C)C)c(N)n2n1 | [C][C][C][=C][N][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][Branch1][C][N][N][Ring1][=C][N][=Ring1][P] | Cc1cc2ncc(S(=O)(=O)C(C)(C)C)c(N)n2n1 |
5503 | Cc1cc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(C)n2n1 | [C][C][C][=C][N][=C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Branch1][C][C][N][Ring1][P][N][=Ring2][Ring1][Ring2] | Cc1cc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(C)n2n1 |
5504 | COc1ccc(-c2nc(N)nc(SC)c2C#N)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][C][N][=N][C][Branch1][Ring1][S][C][=C][Ring1][=Branch2][C][#N][C][=C][Ring1][P] | c15nc(N)nc4c1C#N.c13ccc5cc1.CO3.S4C |
5505 | CSc1nc(N)nc(-c2ccccc2Cl)c1C#N | [C][S][C][=N][C][Branch1][C][N][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring1][=C][C][#N] | c13nc(N)nc4c1C#N.c14ccccc1Cl.CS3 |
5506 | CS(=O)(=O)c1scc(-c2ccccc2)c1C#N | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][S][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][#N] | CS(=O)(=O)c1scc3c1C#N.c13ccccc1 |
5507 | CS(=O)(=O)c1scc(-c2ccc(Cl)cc2)c1C#N | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][S][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring1][N][C][#N] | CS(=O)(=O)c1scc3c1C#N.c13ccc(Cl)cc1 |
5508 | CSc1nc2cc(-c3ccc(Cl)cc3)nn2c(N)c1C#N | [C][S][C][=N][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][Ring1][N][C][Branch1][C][N][=C][Ring1][P][C][#N] | c14nc2cc5nn2c(N)c1C#N.c15ccc(Cl)cc1.CS4 |
5509 | CSc1nc2cc(C(C)(C)C)nn2c(N)c1C#N | [C][S][C][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][N][Ring1][=Branch2][C][Branch1][C][N][=C][Ring1][=C][C][#N] | c14nc2cc3nn2c(N)c1C#N.C3(C)(C)C.CS4 |
5510 | CC(C)NC(=O)c1scc(S(C)(=O)=O)c1Cl | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][=Ring1][=Branch2][Cl] | c14scc(S(C)(=O)=O)c1Cl.CC3C.C24=O.N23 |
5511 | CC(C)S(=O)(=O)c1cscc1NC(=O)c1ccc(Cl)cc1 | [C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][S][C][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | CC(C)S(=O)(=O)c1cscc13.c14ccc(Cl)cc1.C24=O.N23 |
5512 | CC(C)S(=O)(=O)c1csc(C(=O)OCC(=O)C(C)(C)C)c1N | [C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][S][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#C][N] | CC(C)S(=O)(=O)c1csc4c1N.C3C(=O)C(C)(C)C.C24=O.O23 |
5514 | CC(C)S(=O)(=O)c1cscc1NC(=O)c1ccccc1Cl | [C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][S][C][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | CC(C)S(=O)(=O)c1cscc13.c14ccccc1Cl.C24=O.N23 |
5516 | O=C(NCc1ccc(F)cc1)C1CC(=O)N(c2ccc(Cl)cc2)C1 | [O][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=N] | c16ccc(F)cc1.C15CC(=O)N7C1.c17ccc(Cl)cc1.O=C35.N34.C46 |
5518 | CNC(=O)NCc1c(-c2cccs2)csc1SC | [C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][S][C][=Ring1][#Branch2][S][C] | c16c8csc17.c18cccs1.C34=O.CN3.N45.C56.S7C |
5519 | Cc1nccc(-c2cccc(NC(=O)c3ccccc3Cl)c2)n1 | [C][C][=N][C][=C][C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring1][S][=N][Ring2][Ring1][=Branch1] | Cc1nccc7n1.c17cccc5c1.c16ccccc1Cl.C46=O.N45 |
5520 | Cc1ccc(CS(=O)(=O)c2cccs2)cc1 | [C][C][=C][C][=C][Branch1][S][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][#C] | C3S(=O)(=O)c1cccs1.Cc1ccc3cc1 |
5521 | CN(C)S(=O)(=O)c1cccc(C(=O)NCc2ccco2)c1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][#C] | S5(=O)(=O)c1cccc6c1.c17ccco1.CN5C.C36=O.N34.C47 |
5522 | Cc1nccc(-c2cccc(NC(=O)Nc3ccccc3)c2)n1 | [C][C][=N][C][=C][C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][S][=N][Ring2][Ring1][=Branch1] | Cc1nccc8n1.c18cccc6c1.c17ccccc1.C45=O.N46.N57 |
5523 | O=S(=O)(Cc1cccc(Cl)c1)c1cccs1 | [O][=S][=Branch1][C][=O][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][C][=C][S][Ring1][Branch1] | O=S(=O)(C2)c1cccs1.c12cccc(Cl)c1 |
5525 | O=S(=O)(Cc1ccc(F)cc1)c1cccs1 | [O][=S][=Branch1][C][=O][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][S][Ring1][Branch1] | O=S(=O)(C2)c1cccs1.c12ccc(F)cc1 |
5526 | CC(=O)Nc1ccc2nc(NC(=O)c3ccccc3)sc2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring1][=C][=C][Ring2][Ring1][C] | c17ccc2nc6sc2c1.c18ccccc1.CC4=O.C58=O.N47.N56 |
5527 | COc1ccc(O)c(C(=O)Nn2c(C)nc3ccccc3c2=O)c1 | [C][O][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][=C][Ring2][Ring1][=Branch1] | C5(=O)Nn1c(C)nc2ccccc2c1=O.c14ccc(O)c5c1.CO4 |
5528 | O=S(=O)(Cc1ccc(Cl)cc1)c1cccs1 | [O][=S][=Branch1][C][=O][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][S][Ring1][Branch1] | O=S(=O)(C2)c1cccs1.c12ccc(Cl)cc1 |
5529 | Cc1nc2ccccc2c(=O)n1NCc1cccs1 | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][N][C][C][=C][C][=C][S][Ring1][Branch1] | Cc1nc2ccccc2c(=O)n1NC3.c13cccs1 |
5530 | Cc1nc2ccccc2c(=O)n1NCc1ccccc1Br | [C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | Cc1nc2ccccc2c(=O)n1NC3.c13ccccc1Br |
5531 | COc1cc(CNc2ccccc2)cc(OC)c1OC | [C][O][C][=C][C][Branch1][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring1][S][O][C] | c13cc8cc4c15.c17ccccc1.CO3.C68.N67.O4C.O5C |
5532 | NC(=O)c1cccc(CS(=O)(=O)c2ccc(Cl)cc2)c1 | [N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][P] | C4S(=O)(=O)c1ccc(Cl)cc1.c13cccc4c1.NC3=O |
5533 | COC(=O)C(NC(=O)c1ccc(Cl)cc1Cl)C(C)C | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][Branch1][C][C][C] | c15ccc(Cl)cc1Cl.C2(=O)C4C(C)C.C35=O.CO2.N34 |
5534 | COc1cccc(NC(=O)c2nn(C)cc2Br)c1 | [C][O][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][Br][=C][Ring1][S] | c14cccc5c1.c16nn(C)cc1Br.C36=O.CO4.N35 |
5536 | O=S(=O)(Cc1ccccc1F)c1cccs1 | [O][=S][=Branch1][C][=O][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][S][Ring1][Branch1] | O=S(=O)(C2)c1cccs1.c12ccccc1F |
5537 | CCOC(=O)c1cnc2c(c(C)nn2C)c1Oc1ccc(OC)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][#Branch2][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][=C][Ring1][O][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | c18cnc2c(c(C)nn2C)c15.c16ccc7cc1.C38=O.CC4.O34.O56.O7C |
5538 | CCOC(=O)c1c(C)oc2ccc(OC(=O)C(C)C)cc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][=C][C][=C][Branch1][O][O][C][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][Ring1][S][Ring1][N] | c17c(C)oc2ccc6cc12.C4(=O)C(C)C.C37=O.CC5.O35.O46 |
5539 | CCOC(=O)c1cnc2c(c(C)nn2C)c1Oc1ccc(F)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][#Branch2][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][=C][Ring1][O][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c17cnc2c(c(C)nn2C)c15.c16ccc(F)cc1.C37=O.CC4.O34.O56 |
5540 | CC1(C)CC(=O)c2sc(NC(=O)c3ccccc3)nc2C1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][=C][C][Ring2][Ring1][Ring2] | CC1(C)CC(=O)c2sc5nc2C1.c16ccccc1.C46=O.N45 |
5541 | COC(=O)c1scc(S(=O)(=O)C(C)C)c1Cl | [C][O][C][=Branch1][C][=O][C][S][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][C][C][=Ring1][O][Cl] | c13scc(S(=O)(=O)C(C)C)c1Cl.C23=O.CO2 |
5542 | Cc1oc2ccc(OC(=O)N3CCOCC3)cc2c1C(=O)OC(C)C | [C][C][O][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][C][=Ring2][Ring1][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C] | Cc1oc2ccc8cc2c19.N16CCOCC1.C46=O.C59=O.C7(C)C.O48.O57 |
5543 | CCOC(=O)c1c(C)n(C)c2ccc(OC(C)C(=O)OC)cc12 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=C][C][=C][Branch1][N][O][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][=C][Ring2][Ring1][C][Ring1][=N] | c18c(C)n(C)c2ccc7cc12.C6(C)C4=O.C38=O.CC5.O35.O67.O4C |
5544 | Cn1c(=O)c2cc(NC(=O)c3ccccc3)c(=O)oc2c2ccccc21 | [C][N][C][=Branch1][C][=O][C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch2] | Cn1c(=O)c2cc5c(=O)oc2c2ccccc21.c16ccccc1.C46=O.N45 |
5545 | CC(C)OC(=O)CSc1nc2ccccc2[nH]1 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c16nc2ccccc2[nH]1.C3(=O)C5.CC4C.O34.S56 |
5546 | COc1cc(OC)nc(C(=O)c2ccc(Cl)cc2)n1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=N][C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][P] | c13cc4nc5n1.c16ccc(Cl)cc1.C56=O.CO3.O4C |
5547 | COC(=O)c1ccccc1NC(=O)c1c(C)nc2ccccn12 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][C][=C][C][=C][N][Ring1][#Branch2][Ring1][=Branch1] | c16c(C)nc2ccccn12.c17ccccc15.C37=O.C46=O.CO3.N45 |
5548 | CN(C)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2] | S4(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2.CN4C |
5549 | CCOC(=O)N(C)CCc1cc2c(cc1C)OCO2 | [C][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][C][O][C][O][Ring1][Branch2] | c17cc2c(cc1C)OCO2.C34=O.N46C.C6C7.CC5.O35 |
5551 | FC(F)(F)c1nnc2n1Nc1nc3ccccc3nc1S2 | [F][C][Branch1][C][F][Branch1][C][F][C][=N][N][=C][N][Ring1][Branch1][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][S][Ring1][=C] | c14nnc2n1Nc1nc3ccccc3nc1S2.FC4(F)F |
5552 | Cn1ccnc1SCC(=O)Nc1ccc(F)cc1F | [C][N][C][=C][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c14ccc(F)cc1F.Cn1ccnc15.C3C2=O.S35.N24 |
5553 | CCc1nnc(NC(=O)Cc2ccc(Cl)cc2)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring1][S] | c16ccc(Cl)cc1.c15nnc4s1.C3(=O)C6.CC5.N34 |
5555 | Cc1cccc(NC(=O)c2ccc3c(c2)OCCO3)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=N][Ring2][Ring1][Ring1] | c16ccc2c(c1)OCCO2.Cc1cccc5n1.C46=O.N45 |
5556 | COc1cc(-c2noc(C)n2)cc(OC)c1OC | [C][O][C][=C][C][Branch1][O][C][=N][O][C][Branch1][C][C][=N][Ring1][=Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring1][=C][O][C] | c13cc6cc4c15.c16noc(C)n1.CO3.O4C.O5C |
5557 | O=C(Nc1ccc(Cl)cn1)c1ccc2c(c1)OCCO2 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c15ccc2c(c1)OCCO2.c14ccc(Cl)cn1.O=C35.N34 |
5558 | O=C(c1ccc(Cl)cc1Cl)N1CCOCC1 | [O][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][C][C][O][C][C][Ring1][=Branch1] | c13ccc(Cl)cc1Cl.N12CCOCC1.O=C23 |
5559 | Cc1cccc(OCC(=O)NCc2ccccc2)c1 | [C][C][=C][C][=C][C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C] | Cc1cccc5c1.c17ccccc1.C4C3=O.O45.N36.C67 |
5560 | O=C(COc1ccccc1)Oc1ccc2ccc(=O)oc2c1 | [O][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O] | c16ccc2ccc(=O)oc2c1.c15ccccc1.O=C3C4.O45.O36 |
5563 | Cc1cc(=O)oc2cc(OC(=O)C(C)(C)C)ccc12 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=N] | Cc1cc(=O)oc2cc4ccc12.C3(=O)C(C)(C)C.O34 |
5564 | CCOc1ccc(C2NC(=O)c3ccccc3N2)cc1OC | [C][C][O][C][=C][C][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][=C][Ring1][P][O][C] | C17NC(=O)c2ccccc2N1.c15ccc7cc16.CC4.O45.O6C |
5567 | CCOC(=O)c1cnc2c(OC)cccc2c1NCc1cccnc1 | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][Ring1][O][C][=C][C][=C][C][Ring1][Branch2][=C][Ring1][N][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c18cnc2c5cccc2c17.c19cccnc1.C38=O.CC4.O34.O5C.N67.C69 |
5568 | CCOC(=O)c1cnc2c(OC)cccc2c1NCc1ccco1 | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][Ring1][O][C][=C][C][=C][C][Ring1][Branch2][=C][Ring1][N][N][C][C][=C][C][=C][O][Ring1][Branch1] | c18cnc2c5cccc2c17.c19ccco1.C38=O.CC4.O34.O5C.N67.C69 |
5573 | O=C(Nc1ccc(OC(=O)c2ccco2)cc1)c1ccco1 | [O][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][=N][O][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring1][=C][C][=C][C][=C][O][Ring1][Branch1] | c16ccc5cc1.c18ccco1.c17ccco1.O=C47.C38=O.N46.O35 |
5574 | CC(=O)Oc1ccc2occ(C(=O)c3oc(C)nc3C)c2c1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][O][C][=C][Branch1][S][C][=Branch1][C][=O][C][O][C][Branch1][C][C][=N][C][=Ring1][=Branch1][C][C][Ring1][=C][=C][Ring2][Ring1][C] | c15ccc2occ7c2c1.c16oc(C)nc1C.CC4=O.C67=O.O45 |
5575 | COc1ccc(OC)c(C(=O)COc2ccccc2C#N)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][P][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][=C][Ring2][Ring1][Ring2] | c14ccc5c7c1.c16ccccc1C#N.C7(=O)C3.CO4.O5C.O36 |
5577 | COc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2][O][C] | c19nc2ccccc2[nH]1.c15ccc8cc16.C4(=O)C7.CO5.N48.S79.O6C |
5578 | Cc1ccc(C(=O)NCCN2Cc3ccccc3C2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=O][C][=C][Ring2][Ring1][Branch1] | N17Cc2ccccc2C1=O.Cc1ccc6cc1.C46=O.C5C7.N45 |
5579 | CC(=O)Nc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | c19nc2ccccc2[nH]1.c17ccc8cc1.C5(=O)C6.CC4=O.N47.N58.S69 |
5580 | CC(=O)c1cc(F)c(N2CCN(C(C)=O)CC2)cc1C | [C][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][S][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2][C][=C][Ring1][S][C] | c15cc(F)c4cc1C.N14CCN3CC1.CC5=O.C3(C)=O |
5581 | c1ccc(-c2cnnc(SCc3cn4cccnc4n3)n2)cc1 | [C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][N][=N][C][Branch1][S][S][C][C][=C][N][C][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][=Branch2][=N][Ring1][P][C][=C][Ring2][Ring1][#Branch1] | c16cn2cccnc2n1.c18cnnc7n1.c1ccc8cc1.S57.C56 |
5582 | NC(=O)c1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | c18nc2ccccc2[nH]1.c17ccc6cc1.C4(=O)C5.NC7=O.N46.S58 |
5583 | NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C] | c14nnc5c6n1.c15ccccc1.c16ccccc1.NC(=O)C3.S34 |
5584 | Brc1ccc(OCc2cn3cccnc3n2)cc1 | [Br][C][=C][C][=C][Branch1][S][O][C][C][=C][N][C][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][=Branch2][C][=C][Ring1][P] | c16cn2cccnc2n1.Brc1ccc5cc1.O45.C46 |
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