ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
40413 | O=C(Nc1nc(-c2ccc(F)cc2)cs1)C1CC1 | [O][=C][Branch2][Ring1][=Branch1][N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][S][Ring1][N][C][C][C][Ring1][Ring1] | c16ccc(F)cc1.c14nc6cs1.O=C35.C15CC1.N34 |
40414 | Cc1ccnc(SCC(=O)Nc2ccccc2Cl)n1 | [C][C][=C][C][=N][C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring2][Ring1][C] | Cc1ccnc6n1.c15ccccc1Cl.C4C3=O.S46.N35 |
40416 | Cc1ccnc(SCC(=O)N2CCCc3ccccc32)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=N][Ring2][Ring1][Ring2] | N14CCCc2ccccc21.Cc1ccnc6n1.C5C4=O.S56 |
40418 | Cc1cc(C)cc(OCC(=O)Nc2cccnc2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][C] | Cc1cc5cc(C)c1.c16cccnc1.C4C3=O.O45.N36 |
40419 | Cc1cc(C)cc(OCC(=O)NCc2ccccn2)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch1][P][O][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | Cc1cc5cc(C)c1.c17ccccn1.C4C3=O.O45.N36.C67 |
40422 | Cc1nc2ccc(Br)cn2c1NC(C)(C)C | [C][C][N][=C][C][=C][C][Branch1][C][Br][=C][N][Ring1][#Branch1][C][=Ring1][#Branch2][N][C][Branch1][C][C][Branch1][C][C][C] | Cc1nc2ccc(Br)cn2c14.C3(C)(C)C.N34 |
40423 | COC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1 | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][C][=C][C][=C][O][Ring1][Branch1] | c17nnc8n15.c18ccccc1.c16ccco1.C3(=O)C4.CO3.S47.C56 |
40424 | CNC(=O)CSc1nnc(-c2ccccc2)n1C | [C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C] | c15nnc6n1C.c16ccccc1.C3(=O)C4.CN3.S45 |
40425 | CCn1c(SCC(=O)NC)nnc1-c1ccccc1 | [C][C][N][C][Branch1][=Branch2][S][C][C][=Branch1][C][=O][N][C][=N][N][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | n14c5nnc16.c16ccccc1.C3C2=O.CC4.S35.N2C |
40426 | CCn1c(SCC(=O)N(C)C)nnc1-c1ccccc1 | [C][C][N][C][Branch1][N][S][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][N][=C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | n14c5nnc16.c16ccccc1.C3C2=O.N2(C)C.CC4.S35 |
40427 | CCn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccccc1 | [C][C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=N][N][=C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15c6nnc17.c17ccccc1.C4C2=O.C3(C)(C)C.CC5.S46.N23 |
40428 | CC1CCCN(C(=O)CSc2nnc(-c3ccccc3)n2C)C1 | [C][C][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][C][Ring2][Ring1][=Branch1] | CC1CCCN4C1.c16nnc7n1C.c17ccccc1.C4(=O)C5.S56 |
40429 | CCn1c(SCC(=O)N2CCCC(C)C2)nnc1-c1ccccc1 | [C][C][N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][=N][N][=C][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15c6nnc17.N13CCCC(C)C1.c17ccccc1.C4C3=O.CC5.S46 |
40430 | CC1CCN(C(=O)CSc2nnc(Cc3ccccc3)n2C)CC1 | [C][C][C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][N][C][C][C][Ring2][Ring1][#Branch1] | CC1CCN4CC1.c18nnc6n1C.c17ccccc1.C4(=O)C5.S58.C67 |
40431 | Cc1cc(NC(=O)CSc2nnc(Cc3ccccc3)n2C)no1 | [C][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][N][C][=N][O][Ring2][Ring1][#Branch1] | c19nnc7n1C.Cc1cc6no1.c18ccccc1.C4(=O)C5.N46.S59.C78 |
40432 | Cn1c(SCC(N)=O)nnc1-c1ccccc1O | [C][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][N][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O] | Cn1c3nnc14.c14ccccc1O.C2C(N)=O.S23 |
40433 | CNC(=O)CSc1nnc(-c2ccccc2O)n1C | [C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][N][Ring1][N][C] | c15nnc6n1C.c16ccccc1O.C3(=O)C4.CN3.S45 |
40434 | CNC(=O)CSc1nnc(-c2ccccc2OC)n1C | [C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][N][Ring1][=N][C] | c16nnc7n1C.c17ccccc14.C3(=O)C5.CN3.S56.O4C |
40435 | COc1ccccc1-c1nnc(SCC(=O)N(C)C)n1C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Branch1][N][S][C][C][=Branch1][C][=O][N][Branch1][C][C][C][N][Ring1][N][C] | c13ccccc16.c16nnc5n1C.C4C2=O.N2(C)C.CO3.S45 |
40436 | COC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1C | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][N][Ring1][#C][C] | c18ccc4c5c1.c17nnc8n1C.C3(=O)C6.CO3.S67.O4C.O5C |
40437 | CNC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1C | [C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][N][Ring1][#C][C] | c18ccc4c5c1.c17nnc8n1C.C3(=O)C6.CN3.S67.O4C.O5C |
40438 | CCn1c(SCC(=O)NC)nnc1-c1ccc(OC)c(OC)c1 | [C][C][N][C][Branch1][=Branch2][S][C][C][=Branch1][C][=O][N][C][=N][N][=C][Ring1][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | c18ccc3c4c1.n16c7nnc18.C5C2=O.CC6.S57.N2C.O3C.O4C |
40439 | Cc1ccccc1OCc1nnc(SCC(=O)N(C)C)n1C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][N][=C][Branch1][N][S][C][C][=Branch1][C][=O][N][Branch1][C][C][C][N][Ring1][N][C] | Cc1ccccc14.c16nnc7n1C.C5C2=O.N2(C)C.O34.C36.S57 |
40440 | CCn1c(COc2ccccc2C)nnc1SCC(=O)N(C)C | [C][C][N][C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Ring1][=C][S][C][C][=Branch1][C][=O][N][Branch1][C][C][C] | n17c8nnc19.c15ccccc1C.C6C3=O.N3(C)C.CC7.C48.O45.S69 |
40442 | CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)NC | [C][C][N][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][=C][S][C][C][=Branch1][C][=O][N][C] | n17c8nnc19.c15ccc(Cl)cc1.C6C3=O.CC7.C48.O45.S69.N3C |
40443 | CCn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccncc1 | [C][C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=N][N][=C][Ring1][=C][C][=C][C][=N][C][=C][Ring1][=Branch1] | n15c6nnc17.c17ccncc1.C4C2=O.C3(C)(C)C.CC5.S46.N23 |
40444 | Cn1c(SCC(=O)NC2CCCC2)nnc1-c1ccncc1 | [C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=N][N][=C][Ring1][#C][C][=C][C][=N][C][=C][Ring1][=Branch1] | Cn1c6nnc17.c17ccncc1.C15CCCC1.C4C3=O.S46.N35 |
40445 | CCn1c(SCC(=O)NC2CCCC2)nnc1-c1ccncc1 | [C][C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=N][N][=C][Ring1][#C][C][=C][C][=N][C][=C][Ring1][=Branch1] | n16c7nnc18.c18ccncc1.C15CCCC1.C4C3=O.CC6.S47.N35 |
40446 | CC1CCCN(C(=O)CSc2nnc(-c3ccncc3)n2C)C1 | [C][C][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Ring1][O][C][C][Ring2][Ring1][=Branch1] | CC1CCCN4C1.c16nnc7n1C.c17ccncc1.C4(=O)C5.S56 |
40447 | CCn1c(SCC(=O)N2CCCC(C)C2)nnc1-c1ccncc1 | [C][C][N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][=N][N][=C][Ring1][S][C][=C][C][=N][C][=C][Ring1][=Branch1] | n15c6nnc17.N13CCCC(C)C1.c17ccncc1.C4C3=O.CC5.S46 |
40448 | CCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1ccncc1 | [C][C][N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][=N][N][=C][Ring1][S][C][=C][C][=N][C][=C][Ring1][=Branch1] | n16c7nnc18.c15cc(C)on1.c18ccncc1.C4C3=O.CC6.S47.N35 |
40449 | CCN(CC)C(=O)CSc1nnc(-c2cccnc2)n1C | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][O][C] | c17nnc8n1C.c18cccnc1.C3(=O)C6.N345.CC4.C5C.S67 |
40450 | CCn1c(SCC(=O)NC2CCCC2)nnc1-c1cccnc1 | [C][C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=N][N][=C][Ring1][#C][C][=C][C][=C][N][=C][Ring1][=Branch1] | n16c7nnc18.c18cccnc1.C15CCCC1.C4C3=O.CC6.S47.N35 |
40451 | Cn1c(SCC(=O)N2CCCCC2)nnc1-c1cccnc1 | [C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=N][N][=C][Ring1][#C][C][=C][C][=C][N][=C][Ring1][=Branch1] | Cn1c5nnc16.N13CCCCC1.c16cccnc1.C4C3=O.S45 |
40452 | CC1CCN(C(=O)CSc2nnc(-c3cccnc3)n2C)CC1 | [C][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][O][C][C][C][Ring2][Ring1][=Branch1] | CC1CCN4CC1.c16nnc7n1C.c17cccnc1.C4(=O)C5.S56 |
40453 | COC(=O)CSc1nnc(-c2ccco2)n1CC1CCCO1 | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#Branch2][C][C][C][C][C][O][Ring1][Branch1] | c17nnc8n15.c18ccco1.C16CCCO1.C3(=O)C4.CO3.S47.C56 |
40454 | COC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1OC | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C] | c17nnc8n16.c16ccccc14.c18ccco1.C3(=O)C5.CO3.S57.O4C |
40455 | COC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(OC)cc1 | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | c17nnc8n16.c16ccc4cc1.c18ccco1.C3(=O)C5.CO3.S57.O4C |
40458 | CN(C)C(=O)CSc1nnc(-c2ccco2)n1CC1CCCO1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#Branch2][C][C][C][C][C][O][Ring1][Branch1] | c17nnc8n15.c18ccco1.C16CCCO1.C3(=O)C4.CN3C.S47.C56 |
40459 | CN(C)C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16nnc7n15.c15ccccc1.c17ccco1.C3(=O)C4.CN3C.S46 |
40460 | CN(C)C(=O)CSc1nnc(-c2ccco2)n1-c1ccc(F)cc1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c16nnc7n15.c15ccc(F)cc1.c17ccco1.C3(=O)C4.CN3C.S46 |
40461 | CN(C)C(=O)CSc1nnc(-c2cccs2)n1C | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Ring1][#Branch2][C] | c15nnc6n1C.c16cccs1.C3(=O)C4.CN3C.S45 |
40462 | CCN(CC)C(=O)CSc1nnc(-c2cccs2)n1CC | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Ring1][#Branch2][C][C] | c18nnc9n17.c19cccs1.C3(=O)C6.N345.CC4.C5C.S68.C7C |
40463 | Cn1c(SCC(=O)NC(C)(C)C)nnc1-c1cccs1 | [C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=N][N][=C][Ring1][=C][C][=C][C][=C][S][Ring1][Branch1] | Cn1c5nnc16.c16cccs1.C4C2=O.C3(C)(C)C.S45.N23 |
40464 | Cn1c(SCC(=O)NC2CCCC2)nnc1-c1cccs1 | [C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=N][N][=C][Ring1][#C][C][=C][C][=C][S][Ring1][Branch1] | Cn1c6nnc17.C15CCCC1.c17cccs1.C4C3=O.S46.N35 |
40465 | CCn1c(SCC(=O)NC2CCCC2)nnc1-c1cccs1 | [C][C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][=N][N][=C][Ring1][#C][C][=C][C][=C][S][Ring1][Branch1] | n16c7nnc18.C15CCCC1.c18cccs1.C4C3=O.CC6.S47.N35 |
40466 | CC1CCCCN1C(=O)CSc1nnc(-c2cccs2)n1C | [C][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Ring1][#Branch2][C] | CC1CCCCN13.c15nnc6n1C.c16cccs1.C3(=O)C4.S45 |
40467 | Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1cccs1 | [C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][S][C][=C][C][=C][S][Ring1][Branch1] | Cn1c6nnc17.c15ccccc1.c17cccs1.C4C3=O.S46.N35 |
40468 | Cc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Ring1][#Branch2][C] | Cc1ccccc15.c16nnc7n1C.c17cccs1.C3(=O)C4.N35.S46 |
40469 | Cc1cc(NC(=O)CSc2nnc(-c3cccs3)n2C)no1 | [C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Ring1][#Branch2][C][=N][O][Ring2][Ring1][Branch1] | c17nnc8n1C.Cc1cc6no1.c18cccs1.C4(=O)C5.N46.S57 |
40470 | COc1ccccc1OCc1nnc(SCC(=O)N(C)C)o1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][N][=C][Branch1][N][S][C][C][=Branch1][C][=O][N][Branch1][C][C][C][O][Ring1][N] | c14ccccc15.c17nnc8o1.C6C2=O.N2(C)C.CO4.O35.C37.S68 |
40471 | CN(C)C(=O)CSc1nnc(CNc2ccccc2)o1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=N] | c18nnc7o1.c16ccccc1.C3(=O)C5.CN3C.S58.C47.N46 |
40473 | Cn1c(SCC(=O)c2ccc(F)cc2)nc2ccccc2c1=O | [C][N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O] | Cn1c5nc2ccccc2c1=O.c14ccc(F)cc1.C3C4=O.S35 |
40474 | Cn1c(SCC(=O)OCc2ccccc2)nc2ccccc2c1=O | [C][N][C][Branch1][P][S][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][=O] | Cn1c7nc2ccccc2c1=O.c16ccccc1.C5C3=O.S57.O34.C46 |
40475 | CCOC(=O)CCc1nn(C)c(=O)c2ccccc12 | [C][C][O][C][=Branch1][C][=O][C][C][C][=N][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1] | c15nn(C)c(=O)c2ccccc12.C3(=O)CC5.CC4.O34 |
40477 | COc1ccc2[nH]c3nc(SCC(=O)N(C)C)nnc3c2c1 | [C][O][C][=C][C][=C][NH1][C][=N][C][Branch1][N][S][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=N][N][=C][Ring1][=N][C][Ring1][S][=C][Ring2][Ring1][Ring2] | c15ccc2[nH]c3nc7nnc3c2c1.C6C4=O.N4(C)C.CO5.S67 |
40479 | Cc1csc(NC(=O)CSc2nc3ccccc3o2)n1 | [C][C][=C][S][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=N][Ring2][Ring1][Ring1] | c17nc2ccccc2o1.Cc1csc6n1.C4(=O)C5.N46.S57 |
40481 | O=C(COC(=O)c1ccc2ccccc2n1)c1ccccc1 | [O][=C][Branch2][Ring1][Branch1][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccc2ccccc2n1.c16ccccc1.O=C6C4.C35=O.O34 |
40482 | COc1ccc(Nc2nc(OC)nc(OC)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=N][C][Branch1][Ring1][O][C][=N][C][Branch1][Ring1][O][C][=N][Ring1][#Branch2][C][=C][Ring1][P] | c16nc3nc4n1.c15ccc7cc1.CO5.N67.O3C.O4C |
40483 | CC(C)Nc1nc(NC(N)=O)nc(NC(C)C)n1 | [C][C][Branch1][C][C][N][C][=N][C][Branch1][#Branch1][N][C][Branch1][C][N][=O][=N][C][Branch1][#Branch1][N][C][Branch1][C][C][C][=N][Ring1][=C] | c15nc6nc7n1.CC3C.C2(N)=O.C4(C)C.N35.N26.N47 |
40484 | COC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Ring1][P] | S4(=O)(=O)c1ccc(C)cc1.c16cccc5c1.C36=O.CO3.N45 |
40485 | O=C(c1cc2cc(Cl)cc(Cl)c2oc1=O)N1CCOCC1 | [O][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][Ring1][N][=O][N][C][C][O][C][C][Ring1][=Branch1] | c14cc2cc(Cl)cc(Cl)c2oc1=O.N13CCOCC1.O=C34 |
40486 | Cc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccncc1 | [C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=N][C][=C][Ring1][=Branch1] | Cc1ccc4cc1S2(=O)=O.c13ccncc1.C4(C)C.N23 |
40487 | Cc1cc(C)c(C#N)c(S(=O)(=O)Cc2ccccc2)n1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][C][#N][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1] | Cc1cc(C)c(C#N)c(S(=O)(=O)C3)n1.c13ccccc1 |
40488 | Cc1ccc(S(=O)(=O)n2c(C)nc3cc(C)ccc32)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][=N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2] | Cc1ccc(S(=O)(=O)n2c(C)nc3cc(C)ccc32)cc1 |
40489 | O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)C1CCCCC1 | [O][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C][C][C][C][C][C][C][Ring1][=Branch1] | c15ccc7cc1.N14CCOCC1.C16CCCCC1.O=C36.C47=O.N35 |
40490 | CC(=O)Nc1cccc(-c2nc3ccc(NC(C)=O)cc3s2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][S][Ring1][=N][=C][Ring2][Ring1][Ring1] | c18nc2ccc7cc2s1.c16cccc8c1.CC4=O.C5(C)=O.N46.N57 |
40491 | COc1cc(N)cc2sc(NC(=O)C3CCCCC3)nc12 | [C][O][C][=C][C][Branch1][C][N][=C][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][=N][C][Ring2][Ring1][Ring1][=Ring1][=C] | c15cc(N)cc2sc6nc12.C17CCCCC1.C47=O.CO5.N46 |
40494 | CC(=O)Nc1cc(C)c2nc(NC(C)=O)sc2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][N][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][S][C][Ring1][=Branch2][=C][Ring1][=C] | c16cc(C)c2nc5sc2c1.CC3=O.C4(C)=O.N36.N45 |
40495 | COc1cc(NC(C)=O)cc2sc(NC(C)=O)nc12 | [C][O][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][C][S][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=N][C][Ring1][P][=Ring1][=Branch2] | c15cc7cc2sc6nc12.C3(C)=O.C4(C)=O.CO5.N37.N46 |
40496 | CC(C)CC(=O)NCC1(c2ccccc2)CCOCC1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][C][Ring1][N] | C156CCOCC1.CC(C)CC3=O.c16ccccc1.N34.C45 |
40497 | COc1cccc(NC(=O)C2(c3ccccc3)CCOCC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][C][Ring1][N][=C][Ring2][Ring1][Branch1] | c15cccc6c1.C178CCOCC1.c18ccccc1.C47=O.CO5.N46 |
40500 | CCN(CC)C(=O)CSc1nnc(-c2ccc(OC)cc2)n1C | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][Ring1][=N][C] | c18nnc9n1C.c19ccc4cc1.C3(=O)C7.N356.CC5.C6C.S78.O4C |
40501 | Cc1cc(SCC(=O)NCC2CCCO2)nc2ccccc12 | [C][C][=C][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][=Branch1] | Cc1cc7nc2ccccc12.C16CCCO1.C5C3=O.S57.N34.C46 |
40502 | N#CC(C(=O)c1ccc(F)cc1)c1nc2ccccc2[nH]1 | [N][#C][C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2] | c14nc2ccccc2[nH]1.c13ccc(F)cc1.N#CC4C3=O |
40503 | CN(C)c1ccc(NC(=O)c2ccncc2)c2ccccc12 | [C][N][Branch1][C][C][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] | c14ccc5c2ccccc12.c16ccncc1.CN4C.C36=O.N35 |
40504 | Cc1ccnc(NC(=O)COc2ccccc2Cl)c1 | [C][C][=C][C][=N][C][Branch1][P][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring2][Ring1][C] | Cc1ccnc6c1.c15ccccc1Cl.C3(=O)C4.N36.O45 |
40505 | CC1=C(C(=O)OC(C)C)C(c2ccco2)NC(=O)N1 | [C][C][=C][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][C] | CC1=C(C3=O)C5NC(=O)N1.c15ccco1.C4(C)C.O34 |
40506 | CC1CCc2c(sc3ncn(CC(=O)OC(C)C)c(=O)c23)C1 | [C][C][C][C][C][=C][Branch2][Ring1][N][S][C][N][=C][N][Branch1][N][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=Branch1][C][=O][C][Ring1][P][=Ring1][=C][C][Ring2][Ring1][Branch1] | CC1CCc2c(sc3ncn6c(=O)c23)C1.C6C4=O.C5(C)C.O45 |
40507 | COC(=O)C(C)n1cnc2sc3c(c2c1=O)CCC(C)C3 | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][C][Branch1][C][C][C][Ring1][#Branch2] | n15cnc2sc3c(c2c1=O)CCC(C)C3.C4(=O)C5C.CO4 |
40508 | Cc1sc2ncn(Cc3ccccc3)c(=O)c2c1C | [C][C][S][C][N][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][=C][C][=Ring1][P][C] | Cc1sc2ncn4c(=O)c2c1C.c15ccccc1.C45 |
40509 | CCCn1cnc2sc3c(c2c1=O)CCC(C)C3 | [C][C][C][N][C][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][C][Branch1][C][C][C][Ring1][#Branch2] | n14cnc2sc3c(c2c1=O)CCC(C)C3.CCC4 |
40510 | CCC(C(=O)OC)n1cnc2sc3c(c2c1=O)CCC(C)C3 | [C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][N][C][=N][C][S][C][=C][Branch1][Branch2][C][=Ring1][Branch1][C][Ring1][=Branch2][=O][C][C][C][Branch1][C][C][C][Ring1][#Branch2] | n15cnc2sc3c(c2c1=O)CCC(C)C3.CCC5C4=O.O4C |
40511 | CCOC(=O)C(C)n1cnc2sc(-c3ccccc3)cc2c1=O | [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=N][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Ring1][O][C][Ring1][#C][=O] | n16cnc2sc7cc2c1=O.c17ccccc1.C4(=O)C6C.CC5.O45 |
40512 | Cc1[nH]nc(O)c1C(c1ccccc1)c1c(O)n[nH]c1C | [C][C][NH1][N][=C][Branch1][C][O][C][=Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][O][=N][NH1][C][=Ring1][=Branch1][C] | Cc1[nH]nc(O)c12.c14c(O)n[nH]c1C.c13ccccc1.C234 |
40513 | COc1ccc(-c2cc3ncc(C#N)c(N)n3n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][=C][N][=C][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][N][Ring1][=Branch2][N][=Ring1][N][C][=C][Ring2][Ring1][C] | c15cc2ncc(C#N)c(N)n2n1.c14ccc5cc1.CO4 |
40514 | Cc1cccc(N(CC(=O)NCc2cccnc2)S(C)(=O)=O)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][O][N][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][=Branch1][C] | Cc1cccc7c1C.c18cccnc1.C4C3=O.S6(C)(=O)=O.N467.N35.C58 |
40515 | CCOC(=O)N1CCN(c2cc(Cl)c(C#N)cc2F)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=C][C][Branch1][C][Cl][=C][Branch1][Ring1][C][#N][C][=C][Ring1][=Branch2][F][C][C][Ring1][S] | c16cc(Cl)c(C#N)cc1F.N14CCN6CC1.C34=O.CC5.O35 |
40517 | CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C] | c15ccc(S4(=O)=O)cc1.CC(C)(C)C3=O.N14CCOCC1.N35 |
40519 | Cc1onc(-c2ccccc2)c1C(=O)Nc1cccnc1 | [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][=C][N][=C][Ring1][=Branch1] | Cc1onc6c15.c16ccccc1.c14cccnc1.C35=O.N34 |
40520 | O=C(Nc1ccccc1Cl)c1ccc2c(c1)OCCO2 | [O][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c15ccc2c(c1)OCCO2.c14ccccc1Cl.O=C35.N34 |
40521 | CCCC(=O)c1cn(CC(=O)OC)c2ccccc12 | [C][C][C][C][=Branch1][C][=O][C][=C][N][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1] | c14cn5c2ccccc12.CCCC4=O.C5C3=O.O3C |
40522 | Cn1c(SCC(=O)c2cccs2)nnc1-c1ccco1 | [C][N][C][Branch1][=C][S][C][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=N][N][=C][Ring1][=C][C][=C][C][=C][O][Ring1][Branch1] | Cn1c5nnc16.c14cccs1.c16ccco1.C3C4=O.S35 |
40523 | COc1ccc(-c2nnc(SCc3ccccn3)n2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][N][=C][Branch1][O][S][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring1][=N][C][C][=C][Ring2][Ring1][Ring2] | c14ccc8cc1.c18nnc7n1C.c16ccccn1.CO4.S57.C56 |
40524 | CCn1c(SCc2ccccn2)nnc1-c1ccc(OC)cc1 | [C][C][N][C][Branch1][O][S][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][N][=C][Ring1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | n15c7nnc18.c18ccc3cc1.c16ccccn1.CC5.S47.C46.O3C |
40525 | CC1CCN(C(=O)Cn2nnc(-c3cccs3)n2)CC1 | [C][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][C][C][Ring2][Ring1][Ring1] | CC1CCN4CC1.n15nnc6n1.c16cccs1.C4(=O)C5 |
40526 | Cc1ccnc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 | [C][C][=C][C][=N][C][Branch2][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][Ring2][Ring1][C] | S3(=O)(=O)c1ccc(Cl)c(Cl)c1.Cc1ccnc4c1.N34 |
40527 | Cc1cc(C(=O)NC2CCCCC2)c2cc(F)ccc2n1 | [C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=C][C][=C][Branch1][C][F][C][=C][C][Ring1][#Branch1][=N][Ring2][Ring1][Ring2] | Cc1cc5c2cc(F)ccc2n1.C14CCCCC1.C35=O.N34 |
40529 | CCc1nnc(NC(=O)Cn2nnc(-c3ccccc3F)n2)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring1][N][S][Ring2][Ring1][Branch1] | c18ccccc1F.c17nnc5s1.n16nnc8n1.C4(=O)C6.CC7.N45 |
40530 | COc1ccc(C(=O)Cn2nnc(-c3ccccc3F)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][N][N][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][Ring1][N][C][=C][Ring2][Ring1][Branch1] | c14ccc5cc1.c17ccccc1F.n16nnc7n1.C5(=O)C6.CO4 |
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