ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
43313 | C=CCc1ccccc1OCC(=O)Nc1ccc(C(C)=O)cc1 | [C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2] | c17ccccc14.c15ccc6cc1.C3C2=O.C=CC7.C6(C)=O.O34.N25 |
43314 | C=CCc1ccccc1OCC(=O)Nc1nc(C)c(C)s1 | [C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][Branch1][C][C][S][Ring1][#Branch1] | c16ccccc14.c15nc(C)c(C)s1.C3C2=O.C=CC6.O34.N25 |
43315 | C=CCc1ccccc1OCC(=O)Nc1nc(C)c(C(C)=O)s1 | [C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][S][Ring1][=Branch2] | c17ccccc14.c15nc(C)c6s1.C3C2=O.C=CC7.C6(C)=O.O34.N25 |
43316 | C=CCc1ccccc1OCC(=O)Nc1nnc(C2CCCO2)s1 | [C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][S][Ring1][#Branch2] | c17ccccc15.c16nnc8s1.C18CCCO1.C4C3=O.C=CC7.O45.N36 |
43317 | C=CCc1ccccc1OCC(=O)Nc1nnc(C2CC2)s1 | [C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][Ring1][Branch2] | c17ccccc15.c16nnc8s1.C4C3=O.C=CC7.C18CC1.O45.N36 |
43319 | NC(=O)c1ccc(NC(=O)CCc2cccc(Cl)c2)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c15ccc4cc1.c16cccc(Cl)c1.C3(=O)CC6.NC5=O.N34 |
43320 | O=C(CCc1cccc(Cl)c1)Nc1nccs1 | [O][=C][Branch1][=C][C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][=N][C][=C][S][Ring1][Branch1] | c14cccc(Cl)c1.O=C2CC4.c13nccs1.N23 |
43321 | Cc1nnc(NC(=O)CCc2cccc(Cl)c2)s1 | [C][C][=N][N][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][S][Ring1][P] | c15cccc(Cl)c1.Cc1nnc4s1.C3(=O)CC5.N34 |
43322 | CCc1nnc(NC(=O)CCc2cccc(Cl)c2)s1 | [C][C][C][=N][N][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][S][Ring1][P] | c16cccc(Cl)c1.c15nnc4s1.C3(=O)CC6.CC5.N34 |
43323 | NS(=O)(=O)c1ccc(NC(=O)CCc2cccc(Cl)c2)cc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | NS(=O)(=O)c1ccc4cc1.c15cccc(Cl)c1.C3(=O)CC5.N34 |
43324 | CC(=O)c1sc(NC(=O)CCc2cccc(Cl)c2)nc1C | [C][C][=Branch1][C][=O][C][S][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][C][=Ring1][P][C] | c15sc4nc1C.c16cccc(Cl)c1.C3(=O)CC6.CC5=O.N34 |
43325 | O=C(CCc1cccc(Cl)c1)Nc1nncs1 | [O][=C][Branch1][=C][C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][=N][N][=C][S][Ring1][Branch1] | c14cccc(Cl)c1.O=C2CC4.c13nncs1.N23 |
43326 | COCc1nnc(NC(=O)CCc2cccc(Cl)c2)s1 | [C][O][C][C][=N][N][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][S][Ring1][P] | c17cccc(Cl)c1.c16nnc5s1.C3(=O)CC7.CO4.C46.N35 |
43327 | O=C(CCc1cccc(Cl)c1)Nc1nnc(C2CC2)s1 | [O][=C][Branch1][=C][C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][Ring1][Branch2] | c15cccc(Cl)c1.c14nnc6s1.O=C3CC5.C16CC1.N34 |
43328 | Cc1cc(SCc2ccc(Cl)cc2)ncn1 | [C][C][=C][C][Branch1][=C][S][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][=N][Ring1][#C] | Cc1cc5ncn1.c14ccc(Cl)cc1.S35.C34 |
43329 | COC(=O)c1ccc(CSc2cc(C)ncn2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][C][S][C][=C][C][Branch1][C][C][=N][C][=N][Ring1][#Branch1][C][=C][Ring1][#C] | c15ccc6cc1.c17cc(C)ncn1.C35=O.CO3.C46.S47 |
43330 | Cc1cc(SCC(=O)N2CCOCC2)ncn1 | [C][C][=C][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=N][Ring1][S] | Cc1cc5ncn1.N13CCOCC1.C4C3=O.S45 |
43331 | Cc1cc(SCC(=O)NCc2ccccc2)ncn1 | [C][C][=C][C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=N][Ring2][Ring1][C] | Cc1cc7ncn1.c16ccccc1.C5C3=O.S57.N34.C46 |
43332 | Cc1cc(SCC(=O)NC2CCCCC2)ncn1 | [C][C][=C][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=N][C][=N][Ring1][P] | Cc1cc6ncn1.C15CCCCC1.C4C3=O.S46.N35 |
43333 | Cc1cc(SCC(=O)Nc2ccccc2)ncn1 | [C][C][=C][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=N][Ring1][P] | Cc1cc6ncn1.c15ccccc1.C4C3=O.S46.N35 |
43334 | Cc1ccc(NC(=O)CSc2cc(C)ncn2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][=C][C][Branch1][C][C][=N][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc5cc1.c16cc(C)ncn1.C3(=O)C4.N35.S46 |
43335 | Cc1cc(SCC(=O)Nc2ccccc2C(F)(F)F)ncn1 | [C][C][=C][C][Branch2][Ring1][Branch2][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][=N][C][=N][Ring2][Ring1][Branch1] | Cc1cc7ncn1.c15ccccc16.C4C3=O.C6(F)(F)F.S47.N35 |
43336 | CCOc1ccccc1NC(=O)CSc1cc(C)ncn1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=C][C][Branch1][C][C][=N][C][=N][Ring1][#Branch1] | c14ccccc16.c17cc(C)ncn1.C2(=O)C5.CC3.O34.N26.S57 |
43337 | COc1ccc(NC(=O)CSc2cc(C)ncn2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][=C][C][Branch1][C][C][=N][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c14ccc6cc1.c17cc(C)ncn1.C3(=O)C5.CO4.N36.S57 |
43338 | COc1ccc(NC(=O)CSc2cc(C)ncn2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][=C][C][Branch1][C][C][=N][C][=N][Ring1][#Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c14ccc7c5c1.c18cc(C)ncn1.C3(=O)C6.CO4.N37.S68.O5C |
43340 | CC(=O)c1sc(NC(=O)CSc2cc(C)ncn2)nc1C | [C][C][=Branch1][C][=O][C][S][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][=C][C][Branch1][C][C][=N][C][=N][Ring1][#Branch1][=N][C][=Ring1][P][C] | c16sc5nc1C.c17cc(C)ncn1.C3(=O)C4.CC6=O.N35.S47 |
43342 | CCc1ccc(NC(=O)C(C)Sc2cc(C)ncn2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=C][C][Branch1][C][C][=N][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c16ccc5cc1.c17cc(C)ncn1.C3(=O)C4C.CC6.N35.S47 |
43343 | CCOc1ccccc1NC(=O)C(C)Sc1cc(C)ncn1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=C][C][Branch1][C][C][=N][C][=N][Ring1][#Branch1] | c14ccccc16.c17cc(C)ncn1.C2(=O)C5C.CC3.O34.N26.S57 |
43344 | Cc1cc(SCC(=O)c2ccc(Cl)cc2)ncn1 | [C][C][=C][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][=N][Ring1][P] | Cc1cc5ncn1.c14ccc(Cl)cc1.C3C4=O.S35 |
43345 | CCOc1ccc(C(=O)CSc2cc(C)ncn2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][C][S][C][=C][C][Branch1][C][C][=N][C][=N][Ring1][#Branch1][C][=C][Ring1][P] | c14ccc6cc1.c17cc(C)ncn1.C6(=O)C5.CC3.O34.S57 |
43346 | CC(=O)Nc1ccc(C(=O)CSc2cc(C)ncn2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][C][S][C][=C][C][Branch1][C][C][=N][C][=N][Ring1][#Branch1][C][=C][Ring1][P] | c15ccc6cc1.c17cc(C)ncn1.C6(=O)C4.CC3=O.N35.S47 |
43347 | Cc1cc(SCC(=O)c2ccc3ccccc3c2)ncn1 | [C][C][=C][C][Branch2][Ring1][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][C][=N][Ring2][Ring1][Ring2] | c15ccc2ccccc2c1.Cc1cc6ncn1.C4C5=O.S46 |
43348 | Cc1cc(SCC(=O)c2cccs2)ncn1 | [C][C][=C][C][Branch1][=C][S][C][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=N][C][=N][Ring1][#C] | Cc1cc5ncn1.c14cccs1.C3C4=O.S35 |
43349 | Cc1cc(SCC(=O)c2c[nH]c3ccccc23)ncn1 | [C][C][=C][C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=N][C][=N][Ring2][Ring1][Ring1] | c15c[nH]c2ccccc12.Cc1cc6ncn1.C4C5=O.S46 |
43352 | c1ccc(-c2cc(NCc3ccco3)ncn2)cc1 | [C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=N][C][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring1] | c17cc5ncn1.c1ccc7cc1.c16ccco1.N45.C46 |
43353 | c1ccc(-c2cc(NCC3CCCO3)ncn2)cc1 | [C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][C][Branch1][#Branch2][N][C][C][C][C][C][O][Ring1][Branch1][=N][C][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring1] | c17cc5ncn1.c1ccc7cc1.C16CCCO1.N45.C46 |
43354 | CC1CCN(c2cc(-c3ccccc3)ncn2)CC1 | [C][C][C][C][N][Branch2][Ring1][Ring1][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=N][Ring1][N][C][C][Ring2][Ring1][C] | CC1CCN4CC1.c14cc5ncn1.c15ccccc1 |
43356 | Cc1ccc(OCc2nnc(NC(=O)CC(C)C)s2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][C][=N][N][=C][Branch1][N][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][S][Ring1][N][C][=C][Ring2][Ring1][Ring2] | Cc1ccc5cc1.c17nnc6s1.C3(=O)CC(C)C.O45.C47.N36 |
43357 | CCOc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)OCO2 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c19ccc2c(c1)OCO2.c17ccccc18.C4(=O)C6.C39=O.CC5.O57.N48.O36 |
43358 | O=C(COC(=O)c1ccc2c(c1)OCO2)NCc1ccccc1 | [O][=C][Branch2][Ring1][=Branch1][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17ccc2c(c1)OCO2.c18ccccc1.O=C4C5.C37=O.O35.N46.C68 |
43359 | O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1cccc(Cl)c1 | [O][=C][Branch2][Ring1][=Branch1][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c17ccc2c(c1)OCO2.c16cccc(Cl)c1.O=C4C5.C37=O.O35.N46 |
43360 | Cc1ccc(NC(=O)COC(=O)c2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | Cc1ccc6cc1.c17ccccc1.C4(=O)C5.C37=O.N46.O35 |
43361 | Cc1noc(C)c1Cn1cnc2sc(C)c(C)c2c1=O | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Ring1][O][=O] | n13cnc2sc(C)c(C)c2c1=O.Cc1noc(C)c14.C34 |
43362 | Cc1noc(C)c1Cn1cnc2scc(-c3ccccc3)c2c1=O | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][C][=N][C][S][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][Ring1][#C][=O] | n14cnc2scc6c2c1=O.Cc1noc(C)c15.c16ccccc1.C45 |
43363 | Cc1noc(C)c1Cn1cnc2sc(C(N)=O)c(C)c2c1=O | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][C][=N][C][S][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Branch1][C][C][C][=Ring1][=Branch2][C][Ring1][=N][=O] | n14cnc2sc3c(C)c2c1=O.Cc1noc(C)c15.C3(N)=O.C45 |
43364 | CCOC(=O)c1sc2ncn(Cc3c(C)noc3C)c(=O)c2c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][N][=C][N][Branch1][=N][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][=Branch1][C][=O][C][=Ring1][#C][C][=Ring2][Ring1][C][C] | c16sc2ncn7c(=O)c2c1C.c18c(C)noc1C.C46=O.CC5.O45.C78 |
43365 | Cc1sc2ncn(CC(=O)c3cccs3)c(=O)c2c1C | [C][C][S][C][N][=C][N][Branch1][=N][C][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][C][=Ring1][#C][C][=Ring2][Ring1][C][C] | Cc1sc2ncn5c(=O)c2c1C.c14cccs1.C5C4=O |
43366 | Cc1cc2c(=O)n(CC(=O)c3cccs3)cnc2s1 | [C][C][=C][C][C][=Branch1][C][=O][N][Branch1][=N][C][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=N][C][=Ring1][#C][S][Ring2][Ring1][C] | Cc1cc2c(=O)n5cnc2s1.c14cccs1.C5C4=O |
43367 | CC(C)CNC(=O)CSc1ncnc2sc3c(c12)CCCC3 | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][S][C][=N][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][C][Ring1][#Branch1] | c17ncnc2sc3c(c12)CCCC3.CC(C)C5.C4(=O)C6.N45.S67 |
43368 | Cc1sc2ncnc(SCC(=O)NCC(C)C)c2c1C | [C][C][S][C][=N][C][=N][C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][=C][Ring1][#C][C][=Ring2][Ring1][C][C] | Cc1sc2ncnc6c2c1C.C5C3=O.C4C(C)C.S56.N34 |
43369 | CCOC(=O)CSc1nnc(-c2ccc(F)cc2)n1N | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring1][N][N] | c16nnc7n1N.c17ccc(F)cc1.C3(=O)C5.CC4.O34.S56 |
43370 | Nn1c(SCC(=O)N2CCOCC2)nnc1-c1ccc(F)cc1 | [N][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=N][N][=C][Ring1][#C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Nn1c5nnc16.c16ccc(F)cc1.N13CCOCC1.C4C3=O.S45 |
43371 | Nn1c(SCC(=O)N2CCCCC2)nnc1-c1ccc(F)cc1 | [N][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][Branch1][C][F][C][=C][Ring1][#Branch1] | Nn1c5nnc16.c16ccc(F)cc1.N13CCCCC1.C4C3=O.S45 |
43374 | CC(C)COC(=O)CSc1nnc(-c2ccc(F)cc2)n1N | [C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Ring1][N][N] | c16nnc7n1N.c17ccc(F)cc1.CC(C)C4.C3(=O)C5.O34.S56 |
43375 | COC(=O)CSc1nnc(-c2ccc(C)cc2)n1N | [C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][Ring1][N][N] | c15nnc6n1N.c16ccc(C)cc1.C3(=O)C4.CO3.S45 |
43376 | CCOC(=O)CSc1nnc(-c2ccc(C)cc2)n1N | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][Ring1][N][N] | c16nnc7n1N.c17ccc(C)cc1.C3(=O)C5.CC4.O34.S56 |
43377 | Cc1ccc(-c2nnc(SCC(=O)N3CCOCC3)n2N)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][N][Ring1][#C][N][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc7cc1.c17nnc6n1N.N14CCOCC1.C5C4=O.S56 |
43378 | Cc1ccc(-c2nnc(SCC(=O)N3CCCCC3)n2N)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=N][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][N][Ring1][#C][N][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc7cc1.c17nnc6n1N.N14CCCCC1.C5C4=O.S56 |
43379 | CCN(CC)C(=O)CSc1nnc(-c2ccc(C)cc2)n1N | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][Ring1][N][N] | c17nnc8n1N.c18ccc(C)cc1.C3(=O)C6.N345.CC4.C5C.S67 |
43380 | Cc1ccc(-c2nnc(SCC(=O)N3CCCCCC3)n2N)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][N][Ring1][S][N][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc7cc1.c17nnc6n1N.N14CCCCCC1.C5C4=O.S56 |
43381 | Cc1ccc(-c2nnc(SCC(=O)N3CCC(C)CC3)n2N)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][C][=N][N][=C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][N][Ring1][S][N][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc7cc1.c17nnc6n1N.N14CCC(C)CC1.C5C4=O.S56 |
43382 | CCC(C)OC(=O)CSc1nnc(-c2ccc(C)cc2)n1N | [C][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][Ring1][N][N] | c16nnc7n1N.c17ccc(C)cc1.CCC4C.C3(=O)C5.O34.S56 |
43383 | Cc1ccc(-c2nnc(SCC(=O)OCC(C)C)n2N)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=N][N][=C][Branch1][=C][S][C][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][N][Ring1][=C][N][C][=C][Ring2][Ring1][Branch1] | Cc1ccc7cc1.c17nnc6n1N.C5C3=O.C4C(C)C.S56.O34 |
43384 | Cc1cccc(CSc2nnc(-c3cccnc3)n2N)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][O][N][=C][Ring2][Ring1][Ring2] | Cc1cccc5c1.c16nnc7n1N.c17cccnc1.C45.S46 |
43385 | NC(=O)CSc1nnc(-c2cccnc2)n1N | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][O][N] | c14nnc5n1N.c15cccnc1.NC(=O)C3.S34 |
43386 | CCOC(=O)CSc1nnc(-c2cccnc2)n1N | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][O][N] | c16nnc7n1N.c17cccnc1.C3(=O)C5.CC4.O34.S56 |
43387 | Nn1c(SCCc2ccccc2)nnc1-c1cccnc1 | [N][N][C][Branch1][N][S][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][=C][C][=C][C][=C][N][=C][Ring1][=Branch1] | Nn1c5nnc16.c14ccccc1.c16cccnc1.C3C4.S35 |
43388 | Nn1c(SCc2ccccc2Cl)nnc1-c1cccnc1 | [N][N][C][Branch1][N][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][N][=C][Ring1][=C][C][=C][C][=C][N][=C][Ring1][=Branch1] | Nn1c5nnc16.c14ccccc1Cl.c16cccnc1.S35.C34 |
43389 | CCN(CC)C(=O)CSc1nnc(-c2cccnc2)n1N | [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][N] | c17nnc8n1N.c18cccnc1.C3(=O)C6.N345.CC4.C5C.S67 |
43390 | CC1CCN(C(=O)CSc2nnc(-c3cccnc3)n2N)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][N][C][C][Ring2][Ring1][=Branch1] | CC1CCN4CC1.c16nnc7n1N.c17cccnc1.C4(=O)C5.S56 |
43391 | Nn1c(SCC(=O)OCc2ccccc2)nnc1-c1cccnc1 | [N][N][C][Branch1][P][S][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][P][C][=C][C][=C][N][=C][Ring1][=Branch1] | Nn1c7nnc18.c16ccccc1.c18cccnc1.C5C3=O.S57.O34.C46 |
43392 | CCC(C)OC(=O)CSc1nnc(-c2cccnc2)n1N | [C][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][O][N] | c16nnc7n1N.c17cccnc1.CCC4C.C3(=O)C5.O34.S56 |
43393 | CC(C)COC(=O)CSc1nnc(-c2cccnc2)n1N | [C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][O][N] | c16nnc7n1N.c17cccnc1.CC(C)C4.C3(=O)C5.O34.S56 |
43394 | CC1=C(C(=O)OC2CCCCC2)C(c2ccccn2)n2ncnc2N1 | [C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][N][=C][N][=C][Ring1][Branch1][N][Ring2][Ring1][Branch2] | CC1=C(C3=O)C(c2ccccn2)n2ncnc2N1.C14CCCCC1.O34 |
43395 | CC1=C(C(=O)OC2CCCCC2)C(c2ccccn2)n2nnnc2N1 | [C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][N][Ring2][Ring1][Branch2] | CC1=C(C3=O)C(c2ccccn2)n2nnnc2N1.C14CCCCC1.O34 |
43396 | Cc1cccc2cc3c(NC(=O)c4cccs4)nn(C)c3nc12 | [C][C][=C][C][=C][C][=C][C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=N][N][Branch1][C][C][C][=Ring1][=C][N][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][C] | Cc1cccc2cc3c6nn(C)c3nc12.c17cccs1.C57=O.N56 |
43397 | O=C(Nc1nnc(C2CCCCC2)s1)c1ccco1 | [O][=C][Branch2][Ring1][Ring1][N][C][=N][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][S][Ring1][O][C][=C][C][=C][O][Ring1][Branch1] | c14nnc6s1.C16CCCCC1.c15ccco1.O=C35.N34 |
43398 | COc1ccccc1C(=O)OCc1cc2cccc(C)c2[nH]c1=O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][NH1][C][Ring1][O][=O] | c17cc2cccc(C)c2[nH]c1=O.c15ccccc16.C36=O.CO5.O34.C47 |
43399 | CCC(CO)Nc1ncnc2ccc(Br)cc12 | [C][C][C][Branch1][Ring1][C][O][N][C][=N][C][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][O][Ring1][#Branch1] | c14ncnc2ccc(Br)cc12.CCC3CO.N34 |
43401 | CCC(CO)Nc1nc(C(F)(F)F)nc2ccccc12 | [C][C][C][Branch1][Ring1][C][O][N][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1] | c14nc5nc2ccccc12.CCC3CO.C5(F)(F)F.N34 |
43402 | FC(F)(F)c1nc(-n2ccnc2)c2ccccc2n1 | [F][C][Branch1][C][F][Branch1][C][F][C][=N][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#C] | c13nc4c2ccccc2n1.n14ccnc1.FC3(F)F |
43404 | CCOC(=O)N1CCN(c2ncnc3ccccc23)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][=N][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring1][S] | c17ncnc2ccccc12.N15CCN7CC1.C45=O.CC6.O46 |
43409 | CC(=O)Nc1nc(-c2ccccc2)nc2c1c(=O)oc1ccccc12 | [C][C][=Branch1][C][=O][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | c14nc5nc2c1c(=O)oc1ccccc12.c15ccccc1.CC3=O.N34 |
43410 | Cn1c(-c2cc(Br)ccc2O)nc2cnccc21 | [C][N][C][Branch1][=N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][=N][C][=C][N][=C][C][=C][Ring1][=Branch1][Ring1][P] | Cn1c3nc2cnccc21.c13cc(Br)ccc1O |
43411 | CCN1CCN(C(=O)CCC(=O)Nc2nnc(C)s2)CC1 | [C][C][N][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1] | N15CCN3CC1.C3(=O)CCC4=O.c16nnc(C)s1.CC5.N46 |
43412 | CCn1nc(NC(=O)c2ccco2)c2cc3cccc(C)c3nc21 | [C][C][N][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][=C][Ring1][O][Ring2][Ring1][=Branch1] | n17nc5c2cc3cccc(C)c3nc21.c16ccco1.C46=O.CC7.N45 |
43413 | CC(Nc1nc2nonc2nc1N)c1ccccc1 | [C][C][Branch1][S][N][C][=N][C][=N][O][N][=C][Ring1][Branch1][N][=C][Ring1][=Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14nc2nonc2nc1N.c15ccccc1.CC35.N34 |
43414 | N#CC(C(=O)c1sc2ccccc2c1Cl)c1ccccn1 | [N][#C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][Cl][C][=C][C][=C][C][=N][Ring1][=Branch1] | c13sc2ccccc2c1Cl.N#CC4C3=O.c14ccccn1 |
43416 | CN1CC2=C(C1=O)C(c1ccc(O)cc1)NC(=O)N2C | [C][N][C][C][=C][Branch1][Branch1][C][Ring1][Branch1][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Ring1][S][C] | CN1CC2=C(C1=O)C3NC(=O)N2C.c13ccc(O)cc1 |
43418 | CCOC(=O)Nc1nnc(Cc2ccc(OC)c(OC)c2)s1 | [C][C][O][C][=Branch1][C][=O][N][C][=N][N][=C][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][S][Ring1][S] | c1%10ccc6c7c1.c18nnc9s1.C34=O.CC5.O35.N48.C9%10.O6C.O7C |
43420 | COc1ccccc1Nc1nc(N)nc(CSc2nncn2C)n1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch1][C][N][=N][C][Branch1][O][C][S][C][=N][N][=C][N][Ring1][Branch1][C][=N][Ring1][#C] | c15nc7nc(N)n1.c13ccccc16.c18nncn1C.CO3.N56.C47.S48 |
43421 | Cc1nc2c3c(sc2c(=O)o1)N1CCCC1N=C3 | [C][C][=N][C][C][=C][Branch1][N][S][C][=Ring1][Branch1][C][=Branch1][C][=O][O][Ring1][#Branch2][N][C][C][C][C][Ring1][Branch1][N][=C][Ring1][=C] | Cc1nc2c3c(sc2c(=O)o1)N1CCCC1N=C3 |
43422 | CCCC(=O)Nc1nnc(Cc2ccc(OC)cc2)s1 | [C][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][S][Ring1][=C] | c17ccc4cc1.c15nnc6s1.CCCC3=O.N35.C67.O4C |
43423 | CC(C)c1nnc(NC(=O)CCC(=O)NC2CC2)s1 | [C][C][Branch1][C][C][C][=N][N][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][S][Ring1][S] | C3(=O)CCC4=O.c17nnc5s1.CC7C.C16CC1.N35.N46 |
43426 | O=C(Nc1ccccc1)Nc1nnc(COc2ccc(F)cc2)s1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][N][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][=C] | c16ccc(F)cc1.c18ccccc1.c17nnc9s1.O=C34.N38.N47.C59.O56 |
43427 | O=C(CC1(O)C(O)=Nc2ccc(Br)cc21)c1ccco1 | [O][=C][Branch2][Ring1][Branch2][C][C][Branch1][C][O][C][Branch1][C][O][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Ring1][N][C][=C][C][=C][O][Ring1][Branch1] | O=C3CC1(O)C(O)=Nc2ccc(Br)cc21.c13ccco1 |
43428 | Cn1cccc1-c1nc2ccc(NC(=O)c3cccs3)cc2[nH]1 | [C][N][C][=C][C][=C][Ring1][Branch1][C][=N][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][=C][NH1][Ring1][P] | c17nc2ccc5cc2[nH]1.Cn1cccc17.c16cccs1.C46=O.N45 |
43429 | COCC(O)COc1ccccc1C(=O)N1CCOCC1 | [C][O][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] | c15ccccc16.N12CCOCC1.C3C(O)C4.C26=O.CO3.O45 |
43430 | O=C(COc1ccccc1F)Nc1nnc(-c2cccs2)s1 | [O][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][S][Ring1][#Branch2] | c15ccccc1F.c16nnc7s1.c17cccs1.O=C3C4.O45.N36 |
43431 | COc1ccc(Cc2nnc(NC(=O)CC(C)C)s2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][=N][N][=C][Branch1][N][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][S][Ring1][N][C][=C][Ring2][Ring1][Ring1] | c14ccc7cc1.c16nnc5s1.C3(=O)CC(C)C.CO4.C67.N35 |
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