ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1936251 | Cc1ccccc1CN(C)C(=O)Cc1ccc(O)cc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | Cc1ccccc14.c15ccc(O)cc1.C2(=O)C5.N23C.C34 |
1936252 | COc1ccc(OC)c(CC(=O)N(C)Cc2ccccc2C)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c14ccc5c7c1.c18ccccc1C.C7C3=O.N36C.CO4.O5C.C68 |
1936253 | COc1ccc(CN(C)C(=O)Cc2ccc(O)cc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c14ccc6cc1.c17ccc(O)cc1.C3(=O)C7.N35C.CO4.C56 |
1936254 | COc1ccc(CN(C)C(=O)Cc2cc(OC)ccc2OC)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][C][=C][Ring2][Ring1][=Branch1] | c19cc5ccc16.c14ccc8cc1.C3(=O)C9.N37C.CO4.C78.O5C.O6C |
1936255 | COc1ccc(OC)c(CC(=O)N(C)Cc2ccccc2OC)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring2][Ring1][=Branch1] | c14ccc5c8c1.c19ccccc16.C8C3=O.N37C.CO4.O5C.C79.O6C |
1936256 | COc1cccc(N2CCN(C(=O)Cc3ccc(O)cc3)CC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][O][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][Ring1][S][=C][Ring2][Ring1][=Branch1] | c15cccc6c1.N16CCN4CC1.c17ccc(O)cc1.C4(=O)C7.CO5 |
1936257 | COc1ccc(CN(C)C(=O)Cc2ccc(O)cc2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1] | c14ccc7c5c1.c18ccc(O)cc1.C3(=O)C8.N36C.CO4.C67.O5C |
1936258 | CN(Cc1cccc(Cl)c1)C(=O)Cc1ccc(O)cc1 | [C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | c14cccc(Cl)c1.c15ccc(O)cc1.C2(=O)C5.CN23.C34 |
1936259 | COc1ccc(OC)c(CC(=O)N(C)Cc2ccc(F)cc2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Branch1] | c14ccc5c7c1.c18ccc(F)cc1.C7C3=O.N36C.CO4.O5C.C68 |
1936260 | Cc1ccccc1C(C)NC(=O)Cc1ccc(O)cc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | Cc1ccccc14.c15ccc(O)cc1.C2(=O)C5.C34C.N23 |
1936261 | CC(NC(=O)Cc1ccc(O)cc1)c1ccccc1Br | [C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | c15ccc(O)cc1.c14ccccc1Br.C2(=O)C5.CC34.N23 |
1936262 | Cc1ccc(CN(C)C(=O)Cc2ccc(O)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | Cc1ccc5cc1.c16ccc(O)cc1.C3(=O)C6.N34C.C45 |
1936263 | COc1ccc(OC)c(CC(=O)N(C)Cc2ccc(C)cc2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Branch1] | c14ccc5c7c1.c18ccc(C)cc1.C7C3=O.N36C.CO4.O5C.C68 |
1936264 | CCC(NC(=O)Cc1ccc(O)cc1)c1ccc(C)cc1 | [C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c15ccc(O)cc1.c14ccc(C)cc1.CCC34.C2(=O)C5.N23 |
1936265 | CCC(NC(=O)Cc1cc(OC)ccc1OC)c1ccc(C)cc1 | [C][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c17cc3ccc14.c16ccc(C)cc1.CCC56.C2(=O)C7.N25.O3C.O4C |
1936266 | COc1ccc(OC)c(CC(=O)N(C)Cc2ccccc2F)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][Ring2][Ring1][Branch1] | c14ccc5c7c1.c18ccccc1F.C7C3=O.N36C.CO4.O5C.C68 |
1936267 | COc1ccc(OC)c(CC(=O)N(C)Cc2cccc(F)c2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Ring2][Ring1][Branch1] | c14ccc5c7c1.c18cccc(F)c1.C7C3=O.N36C.CO4.O5C.C68 |
1936268 | CN(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(O)cc1 | [C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | c14ccc(Cl)cc1.c15ccc(O)cc1.C2(=O)C5.CN23.C34 |
1936269 | CN(Cc1ccccc1Cl)C(=O)Cc1ccc(O)cc1 | [C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | c14ccccc1Cl.c15ccc(O)cc1.C2(=O)C5.CN23.C34 |
1936270 | COc1ccccc1C(C)NC(=O)Cc1ccc(O)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | c13ccccc15.c16ccc(O)cc1.C2(=O)C6.C45C.CO3.N24 |
1936271 | CSc1ccc(CN(C)C(=O)Cc2ccc(O)cc2)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | c17ccc5cc1.c16ccc(O)cc1.C3(=O)C6.N34C.CS7.C45 |
1936272 | COc1ccc(OC)c(CC(=O)N(C)Cc2ccc(SC)cc2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2][=C][Ring2][Ring1][=Branch1] | c14ccc5c7c1.c18ccc9cc1.C7C3=O.N36C.CO4.O5C.C68.S9C |
1936273 | CC(NC(=O)Cc1ccc(O)cc1)c1ccccc1Cl | [C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c15ccc(O)cc1.c14ccccc1Cl.C2(=O)C5.CC34.N23 |
1936274 | CC(NC(=O)Cc1ccc(O)cc1)c1cccc(Cl)c1 | [C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] | c15ccc(O)cc1.c14cccc(Cl)c1.C2(=O)C5.CC34.N23 |
1936275 | Cc1ccccc1CNC(=O)Cc1ccc(O)cc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | Cc1ccccc14.c15ccc(O)cc1.C2(=O)C5.C34.N23 |
1936276 | CC(NC(=O)Cc1ccc(O)cc1)c1ccc(Cl)cc1 | [C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15ccc(O)cc1.c14ccc(Cl)cc1.C2(=O)C5.CC34.N23 |
1936277 | CC(NC(=O)Cc1ccc(O)cc1)c1ccc(F)c(F)c1 | [C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] | c14ccc(F)c(F)c1.c15ccc(O)cc1.C2(=O)C5.CC34.N23 |
1936278 | COc1ccc(OC)c(CC(=O)NC(C)c2ccc(F)c(F)c2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=C][Ring2][Ring1][=Branch1] | c14ccc5c7c1.c18ccc(F)c(F)c1.C7C3=O.C68C.CO4.O5C.N36 |
1936279 | COc1ccc(CN(C)C(=O)Cc2ccc(O)cc2)cc1F | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1][F] | c14ccc6cc1F.c17ccc(O)cc1.C3(=O)C7.N35C.CO4.C56 |
1936280 | COc1ccc(OC)c(CC(=O)N(C)Cc2ccc(OC)c(F)c2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][F][=C][Ring1][=Branch2][=C][Ring2][Ring1][#Branch1] | c14ccc5c8c1.c19ccc6c(F)c1.C8C3=O.N37C.CO4.O5C.C79.O6C |
1936281 | CC(NC(=O)Cc1ccc(O)cc1)c1ccc(F)cc1F | [C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c14ccc(F)cc1F.c15ccc(O)cc1.C2(=O)C5.CC34.N23 |
1936282 | COc1ccc(OC)c(CC(=O)NC(C)c2ccc(F)cc2F)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=C][Ring2][Ring1][=Branch1] | c14ccc5c7c1.c18ccc(F)cc1F.C7C3=O.C68C.CO4.O5C.N36 |
1936283 | CCN(Cc1cccc(F)c1)C(=O)Cc1cc(OC)ccc1OC | [C][C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C] | c18cc3ccc14.c17cccc(F)c1.C2(=O)C8.N256.CC5.C67.O3C.O4C |
1936284 | CC(C)CC(NC(=O)Cc1ccc(O)cc1)c1ccccc1 | [C][C][Branch1][C][C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15ccc(O)cc1.CC(C)CC34.c14ccccc1.C2(=O)C5.N23 |
1936285 | CCC(NC(=O)Cc1ccc(O)cc1)c1ccc(OC)cc1 | [C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | c16ccc(O)cc1.c15ccc3cc1.CCC45.C2(=O)C6.N24.O3C |
1936286 | CC(c1ccccc1)N(C)C(=O)Cc1ccc(O)cc1 | [C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | c15ccc(O)cc1.c14ccccc1.C2(=O)C5.CC34.N23C |
1936287 | COc1ccc(OC)c(CC(=O)N(C)C(C)c2ccccc2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Branch1] | c14ccc5c7c1.c18ccccc1.C7C3=O.N36C.C68C.CO4.O5C |
1936289 | CCN(Cc1ccc(OC)c(OC)c1)C(=O)Cc1ccc(O)cc1 | [C][C][N][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | c17ccc3c4c1.c18ccc(O)cc1.C2(=O)C8.N256.CC5.C67.O3C.O4C |
1936290 | Cc1ccc(C)n1-c1sccc1C(=O)N(C)CC(=O)NC1CC1 | [C][C][=C][C][=C][Branch1][C][C][N][Ring1][=Branch1][C][S][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1] | Cc1ccc(C)n17.c17sccc16.C4C3=O.C26=O.N24C.C15CC1.N35 |
1936291 | COC(=O)c1cc(CSc2ccc(F)c(F)c2)oc1C | [C][O][C][=Branch1][C][=O][C][C][=C][Branch1][P][C][S][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][O][C][=Ring1][#C][C] | c17ccc(F)c(F)c1.c15cc6oc1C.C35=O.CO3.C46.S47 |
1936292 | O=C(CSc1ncc(F)c(N2CCCC2)n1)NC1CC1 | [O][=C][Branch2][Ring1][#Branch1][C][S][C][=N][C][=C][Branch1][C][F][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][Ring1][N][N][C][C][C][Ring1][Ring1] | c17ncc(F)c5n1.N15CCCC1.O=C3C4.C16CC1.S47.N36 |
1936293 | CSc1nnc(NC(=O)COc2ccccc2F)s1 | [C][S][C][=N][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][Ring1][P] | c15ccccc1F.c17nnc6s1.C3(=O)C4.CS7.N36.O45 |
1936294 | CCOc1ccc2nc(SCc3nonc3N)sc2c1 | [C][C][O][C][=C][C][=C][N][=C][Branch1][O][S][C][C][=N][O][N][=C][Ring1][Branch1][N][S][C][Ring1][=N][=C][Ring1][P] | c15ccc2nc8sc2c1.c17nonc1N.CC4.O45.S68.C67 |
1936298 | COc1ccc(Cn2nnnc2-c2ccccc2)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][P][C][N][N][=N][N][=C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c13ccc6c4c1.n15nnnc17.c17ccccc1.CO3.C56.O4C |
1936299 | O=C(CNC(=O)c1cc(F)cc(F)c1)NCC1CCCO1 | [O][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][N][C][C][C][C][C][O][Ring1][Branch1] | c16cc(F)cc(F)c1.C17CCCO1.O=C2C4.C36=O.N34.N25.C57 |
1936300 | C#CCN1CCC(C(=O)Nn2cnc3sc(C)c(C)c3c2=O)CC1 | [C][#C][C][N][C][C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][N][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Ring1][O][=O][C][C][Ring2][Ring1][Branch1] | C5(=O)Nn1cnc2sc(C)c(C)c2c1=O.N14CCC5CC1.C#CC4 |
1936302 | CCc1nc(CN2CCN(c3ncccc3C(N)=O)CC2)cs1 | [C][C][C][=N][C][Branch2][Ring1][=Branch2][C][N][C][C][N][Branch1][=C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][#C][=C][S][Ring2][Ring1][Branch1] | N14CCN5CC1.c15ncccc16.c17nc8cs1.C6(N)=O.CC7.C48 |
1936303 | C#CCN1CCC(C(=O)N(C)Cc2nccn2C(F)F)CC1 | [C][#C][C][N][C][C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=N][C][=C][N][Ring1][Branch1][C][Branch1][C][F][F][C][C][Ring2][Ring1][Ring1] | N14CCC6CC1.c18nccn17.C#CC4.C36=O.N35C.C7(F)F.C58 |
1936304 | CC(NC(=O)CNC(=O)c1cc(F)cc(F)c1)C1CCCO1 | [C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][C][C][C][O][Ring1][Branch1] | c16cc(F)cc(F)c1.C17CCCO1.C2(=O)C5.CC47.C36=O.N24.N35 |
1936305 | C#CCN1CCC(C(=O)Nc2nc(-c3ccccc3C)cs2)CC1 | [C][#C][C][N][C][C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][S][Ring1][N][C][C][Ring2][Ring1][Branch1] | N15CCC7CC1.c18ccccc1C.c16nc8cs1.C#CC5.C47=O.N46 |
1936306 | C#CCN1CCC(C(=O)N2CCOC(C)(C)C2)CC1 | [C][#C][C][N][C][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][C][C][Ring1][S] | N13CCOC(C)(C)C1.N14CCC5CC1.C#CC4.C35=O |
1936308 | C#CCN1CCC(C(=O)Nc2nnc(-c3ccccn3)[nH]2)CC1 | [C][#C][C][N][C][C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][NH1][Ring1][O][C][C][Ring2][Ring1][Ring2] | N15CCC7CC1.c16nnc8[nH]1.c18ccccn1.C#CC5.C47=O.N46 |
1936310 | NS(=O)(=O)c1ccc(CNC(=O)Cc2cccc(O)c2)cc1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | NS(=O)(=O)c1ccc5cc1.c16cccc(O)c1.C3(=O)C6.C45.N34 |
1936311 | NS(=O)(=O)c1cccc(CNC(=O)Cc2cccc(O)c2)c1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][=C][Ring2][Ring1][C] | NS(=O)(=O)c1cccc5c1.c16cccc(O)c1.C3(=O)C6.C45.N34 |
1936312 | CC(NC(=O)Cc1cccc(O)c1)c1ccc(S(N)(=O)=O)cc1 | [C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] | c14ccc(S(N)(=O)=O)cc1.c15cccc(O)c1.C2(=O)C5.CC34.N23 |
1936313 | O=C(Cc1cccc(O)c1)NCc1cccc(C(F)(F)F)c1 | [O][=C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | c14cccc(O)c1.c15cccc6c1.O=C2C4.C6(F)(F)F.N23.C35 |
1936315 | O=C(Cc1cccc(O)c1)N1CCN(c2ccc(F)cc2)CC1 | [O][=C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N] | c15cccc(O)c1.N13CCN4CC1.c14ccc(F)cc1.O=C3C5 |
1936317 | COc1cccc(N2CCN(C(=O)Cc3cccc(O)c3)CC2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][O][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][C][Ring1][S][=C][Ring2][Ring1][=Branch1] | c15cccc6c1.N16CCN4CC1.c17cccc(O)c1.C4(=O)C7.CO5 |
1936318 | O=C(Cc1cccc(O)c1)N1CCN(c2ccccc2Cl)CC1 | [O][=C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][C][C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][=N] | c15cccc(O)c1.N13CCN4CC1.c14ccccc1Cl.O=C3C5 |
1936319 | O=C(Cc1cccc(O)c1)N1CCN(c2ccc(Cl)cc2)CC1 | [O][=C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][=N] | c15cccc(O)c1.N13CCN4CC1.c14ccc(Cl)cc1.O=C3C5 |
1936320 | COc1ccc(CNC(=O)Cc2cccc(O)c2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C][O][C] | c14ccc7cc15.c18cccc(O)c1.C3(=O)C8.CO4.C67.N36.O5C |
1936321 | Cc1sc(=O)n(CC(=O)Nc2ccccc2C(F)(F)F)c1C | [C][C][S][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=Ring2][Ring1][Ring2][C] | Cc1sc(=O)n5c1C.c14ccccc16.C5C3=O.C6(F)(F)F.N34 |
1936322 | O=C(Oc1ccccc1F)c1nc2ncc(Br)cn2n1 | [O][=C][Branch1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][N][=C][N][=C][C][Branch1][C][Br][=C][N][Ring1][#Branch1][N][=Ring1][#Branch2] | c15nc2ncc(Br)cn2n1.c14ccccc1F.O=C35.O34 |
1936325 | Cc1ccc(OC(=O)c2nc3ncc(Br)cn3n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][=Branch1][C][=O][C][N][=C][N][=C][C][Branch1][C][Br][=C][N][Ring1][#Branch1][N][=Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c16nc2ncc(Br)cn2n1.Cc1ccc5cc1.C46=O.O45 |
1936326 | Cc1ccccc1OC(=O)c1nc2ncc(Br)cn2n1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][N][=C][N][=C][C][Branch1][C][Br][=C][N][Ring1][#Branch1][N][=Ring1][#Branch2] | c15nc2ncc(Br)cn2n1.Cc1ccccc14.C35=O.O34 |
1936328 | O=C(Oc1ccc(F)cc1)c1nc2ncc(Br)cn2n1 | [O][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][N][=C][N][=C][C][Branch1][C][Br][=C][N][Ring1][#Branch1][N][=Ring1][#Branch2] | c15nc2ncc(Br)cn2n1.c14ccc(F)cc1.O=C35.O34 |
1936329 | O=C(Oc1ccccc1)c1nc2ncc(Br)cn2n1 | [O][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=C][N][=C][C][Branch1][C][Br][=C][N][Ring1][#Branch1][N][=Ring1][#Branch2] | c15nc2ncc(Br)cn2n1.c14ccccc1.O=C35.O34 |
1936331 | Cc1cccc(C)c1OC(=O)c1nc2ncc(Br)cn2n1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][=Branch1][C][=O][C][N][=C][N][=C][C][Branch1][C][Br][=C][N][Ring1][#Branch1][N][=Ring1][#Branch2] | c15nc2ncc(Br)cn2n1.Cc1cccc(C)c14.C35=O.O34 |
1936340 | O=C1NCCc2ccc(S(=O)(=O)N3CCOCC3)cc21 | [O][=C][N][C][C][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][Ring2][Ring1][Ring1] | O=C1NCCc2ccc(S4(=O)=O)cc21.N14CCOCC1 |
1936341 | CC(=CC(=O)OCc1cccnc1)c1ccccc1F | [C][C][=Branch1][S][=C][C][=Branch1][C][=O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | CC=4c1ccccc1F.c15cccnc1.C=4C2=O.O23.C35 |
1936342 | CCOC(CC)C(=O)Nc1cccc(-c2csc(C)n2)c1 | [C][C][O][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][O][C][=C][S][C][Branch1][C][C][=N][Ring1][=Branch1][=C][Ring1][N] | c16cccc7c1.C5(CC)C3=O.c17csc(C)n1.CC4.O45.N36 |
1936344 | Cc1sc(=O)n(CC(=O)OCCN2CCCC2=O)c1C | [C][C][S][C][=Branch1][C][=O][N][Branch1][P][C][C][=Branch1][C][=O][O][C][C][N][C][C][C][C][Ring1][Branch1][=O][C][=Ring2][Ring1][C][C] | Cc1sc(=O)n5c1C.N16CCCC1=O.C5C3=O.C4C6.O34 |
1936345 | Cc1ccc(C)c(OC(=O)c2nc3ncc(Br)cn3n2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][=Branch1][O][C][=Branch1][C][=O][C][N][=C][N][=C][C][Branch1][C][Br][=C][N][Ring1][#Branch1][N][=Ring1][#Branch2][=C][Ring2][Ring1][Ring2] | c16nc2ncc(Br)cn2n1.Cc1ccc(C)c5c1.C46=O.O45 |
1936346 | Cc1ccc(OC(=O)c2nc3ncc(Br)cn3n2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][=Branch1][C][=O][C][N][=C][N][=C][C][Branch1][C][Br][=C][N][Ring1][#Branch1][N][=Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][C] | c16nc2ncc(Br)cn2n1.Cc1ccc5cc1C.C46=O.O45 |
1936349 | CCOC(CC)C(=O)N1CCN(C(C#N)c2ccc(OC)cc2)CC1 | [C][C][O][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][Branch1][Ring1][C][#N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][Ring1][P] | N13CCN7CC1.c18ccc6cc1.C5(CC)C3=O.C78C#N.CC4.O45.O6C |
1936351 | CCc1ccc(OC(=O)c2nc3ncc(Br)cn3n2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][=Branch1][C][=O][C][N][=C][N][=C][C][Branch1][C][Br][=C][N][Ring1][#Branch1][N][=Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c16nc2ncc(Br)cn2n1.c17ccc5cc1.C46=O.CC7.O45 |
1936352 | CC(=CC(=O)OCC1CCCCO1)c1ccccc1F | [C][C][=Branch1][S][=C][C][=Branch1][C][=O][O][C][C][C][C][C][C][O][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | CC=4c1ccccc1F.C15CCCCO1.C=4C2=O.O23.C35 |
1936353 | CCOC(CC)C(=O)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1 | [C][C][O][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][P][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][=C][S][Ring1][#C] | c19ccc8cc1.C6(CC)C3=O.c17nc9cs1.C4(C)=O.CC5.O56.N37.N48 |
1936354 | CCOC(CC)C(=O)Nc1nc(-c2ccc(F)cc2)cs1 | [C][C][O][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][S][Ring1][N] | c17ccc(F)cc1.C5(CC)C3=O.c16nc7cs1.CC4.O45.N36 |
1936355 | O=C(CCCN1CCOC1=O)NCc1csc(-c2ccccc2)n1 | [O][=C][Branch1][N][C][C][C][N][C][C][O][C][Ring1][Branch1][=O][N][C][C][=C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O] | O=C3CCC5.N15CCOC1=O.c16csc7n1.c17ccccc1.N34.C46 |
1936356 | Cc1nn2cccnc2c1C(=O)Nc1ccc(NC(N)=O)cc1 | [C][C][=N][N][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][N][=O][C][=C][Ring1][#Branch2] | Cc1nn2cccnc2c17.c15ccc6cc1.C37=O.C4(N)=O.N35.N46 |
1936357 | CNC(=O)Nc1ccc(NC(=O)c2c(C)nn3cccnc23)cc1 | [C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][C][=C][C][=N][C][=Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c19c(C)nn2cccnc12.c17ccc8cc1.C45=O.C69=O.CN4.N57.N68 |
1936358 | Cc1nn2cccnc2c1C(=O)Nc1cccc(NC(N)=O)c1 | [C][C][=N][N][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][N][=O][=C][Ring1][#Branch2] | Cc1nn2cccnc2c17.c15cccc6c1.C37=O.C4(N)=O.N35.N46 |
1936359 | CCNC(=O)NC1(C(=O)Nn2cnc3ccccc32)CCCC1 | [C][C][N][C][=Branch1][C][=O][N][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][C][C][C][Ring1][P] | C8(=O)Nn1cnc2ccccc21.C178CCCC1.C45=O.CC6.N46.N57 |
1936360 | Cc1ccc(CC(=O)NCCNS(=O)(=O)c2ccccc2)s1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][Branch1] | S6(=O)(=O)c1ccccc1.Cc1ccc7s1.C7C3=O.C4C5.N34.N56 |
1936361 | O=C(OCc1nc2ccccc2s1)c1ccnc(-n2cncn2)c1 | [O][=C][Branch1][S][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][C][=N][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=C][Ring1][O] | c16nc2ccccc2s1.c15ccnc7c1.n17cncn1.O=C35.O34.C46 |
1936364 | O=C(CCCN1CCOC1=O)Nc1ccc(-n2ccnc2)cc1 | [O][=C][Branch1][N][C][C][C][N][C][C][O][C][Ring1][Branch1][=O][N][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O] | c14ccc6cc1.O=C3CCC5.N15CCOC1=O.n16ccnc1.N34 |
1936367 | CC(C)C(C)NC(=O)C1CCCN1C(=O)Cc1cccs1 | [C][C][Branch1][C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1] | C15CCCN13.CC(C)C4C.c16cccs1.C3(=O)C6.C25=O.N24 |
1936368 | CCOC(CC)C(=O)Nc1nc(-c2cccnc2)cs1 | [C][C][O][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring1][O] | C5(CC)C3=O.c16nc7cs1.c17cccnc1.CC4.O45.N36 |
1936369 | Cc1nc2ccc(NC(=O)CCNC(=O)OCC(F)(F)F)cc2o1 | [C][C][=N][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][O][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][Ring2][O][Ring2][Ring1][#Branch1] | Cc1nc2ccc8cc2o1.C4(=O)CC7.C6C(F)(F)F.C35=O.N48.N57.O36 |
1936370 | CCOC(CC)C(=O)Nc1ccc2nc(C)oc2c1 | [C][C][O][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch1][C][C][O][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c16ccc2nc(C)oc2c1.C5(CC)C3=O.CC4.O45.N36 |
1936372 | Cc1cccc(OC(=O)c2nc3ncc(Br)cn3n2)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][O][C][=Branch1][C][=O][C][N][=C][N][=C][C][Branch1][C][Br][=C][N][Ring1][#Branch1][N][=Ring1][#Branch2][=C][Ring2][Ring1][Ring1][C] | c16nc2ncc(Br)cn2n1.Cc1cccc5c1C.C46=O.O45 |
1936373 | CCCCN(C(=O)Cn1c(C)c(C)sc1=O)c1ccccc1 | [C][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][Branch1][C][C][S][C][Ring1][#Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | n15c(C)c(C)sc1=O.c14ccccc1.CCCC3.C2(=O)C5.N234 |
1936378 | CCOC(CC)C(=O)Nc1cccc2ncccc12 | [C][C][O][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c16cccc2ncccc12.C5(CC)C3=O.CC4.O45.N36 |
1936379 | CCOC(CC)C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 | [C][C][O][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Branch1][C][C][S][Ring1][=N] | c16nc7c(C)s1.c17ccc(F)cc1.C5(CC)C3=O.CC4.O45.N36 |
1936380 | Cc1nn2cccnc2c1C(=O)Nc1ccc(Br)cc1O | [C][C][=N][N][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][O] | Cc1nn2cccnc2c15.c14ccc(Br)cc1O.C35=O.N34 |
1936381 | Cc1nn2cccnc2c1C(=O)Nc1ccc(OCCC(N)=O)cc1 | [C][C][=N][N][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][O][C][C][C][Branch1][C][N][=O][C][=C][Ring1][N] | Cc1nn2cccnc2c17.c16ccc5cc1.C4CC(N)=O.C37=O.N36.O45 |
1936383 | CCOC(CC)C(=O)N1CCC(CC(=O)N2CCCC2)CC1 | [C][C][O][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][=N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][=C] | N13CCC7CC1.C6(CC)C3=O.N14CCCC1.C7C4=O.CC5.O56 |
1936384 | CCOC(CC)C(=O)Nc1ccc2ncccc2c1 | [C][C][O][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c16ccc2ncccc2c1.C5(CC)C3=O.CC4.O45.N36 |
1936385 | Cc1nn2cccnc2c1C(=O)NCCS(=O)(=O)c1ccccc1 | [C][C][=N][N][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | C4CS(=O)(=O)c1ccccc1.Cc1nn2cccnc2c15.C35=O.N34 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.