ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
16348 | COc1ccc(OC)c(S(=O)(=O)Nc2ccc(F)cc2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1] | c13ccc4c(S5(=O)=O)c1.c16ccc(F)cc1.CO3.O4C.N56 |
16349 | COc1ccc(OC)c(S(=O)(=O)Nc2cccc(F)c2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1] | c13ccc4c(S5(=O)=O)c1.c16cccc(F)c1.CO3.O4C.N56 |
16350 | COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2F)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][Ring2][Ring1][Ring1] | c13ccc4c(S5(=O)=O)c1.c16ccccc1F.CO3.O4C.N56 |
16351 | COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1] | c13ccc4c(S5(=O)=O)c1.c16ccc(C)cc1.CO3.O4C.N56 |
16352 | COc1ccc(OC)c(S(=O)(=O)Nc2cccc(C)c2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1] | c13ccc4c(S5(=O)=O)c1.c16cccc(C)c1.CO3.O4C.N56 |
16353 | COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2C)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c13ccc4c(S5(=O)=O)c1.c16ccccc1C.CO3.O4C.N56 |
16354 | COc1ccc(OC)c(S(=O)(=O)Nc2ccc(F)cc2F)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=C][Ring2][Ring1][Ring2] | c13ccc4c(S5(=O)=O)c1.c16ccc(F)cc1F.CO3.O4C.N56 |
16355 | COc1ccc(OC)c(S(=O)(=O)Nc2cc(C)ccc2OC)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][=C][Ring2][Ring1][Branch1] | c13ccc4c(S6(=O)=O)c1.c17cc(C)ccc15.CO3.O4C.N67.O5C |
16356 | COc1ccc(OC)c(S(=O)(=O)Nc2cccc(C(C)=O)c2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][=Branch2][=C][Ring2][Ring1][Branch1] | c13ccc4c(S5(=O)=O)c1.c16cccc7c1.C7(C)=O.CO3.O4C.N56 |
16357 | COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(C)=O)cc2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][Branch1] | c13ccc4c(S5(=O)=O)c1.c16ccc7cc1.C7(C)=O.CO3.O4C.N56 |
16358 | CC(=O)Oc1cccc(C(=O)NC2CCCCC2)c1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][#C] | c15cccc7c1.C16CCCCC1.CC3=O.C47=O.O35.N46 |
16359 | COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C] | c13ccc4c(S5(=O)=O)c1.c16ccccc1.CO3.O4C.N56 |
16360 | COc1ccc(OC)c(S(=O)(=O)NCC(C)C)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][C][C][=C][Ring1][S] | c12ccc3c(S5(=O)=O)c1.C4C(C)C.CO2.O3C.N45 |
16363 | COc1ccc(OC)c(S(=O)(=O)NCCC2=CCCCC2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][C][C][C][Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | c13ccc4c(S6(=O)=O)c1.C5CC1=CCCCC1.CO3.O4C.N56 |
16364 | COc1ccc(OC)c(S(=O)(=O)NCc2ccccc2OC)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring2][Ring1][Branch1] | c13ccc4c(S7(=O)=O)c1.c18ccccc15.CO3.O4C.N67.C68.O5C |
16365 | COc1ccc(OC)c(S(=O)(=O)NCc2ccc(C)cc2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring2] | c13ccc4c(S6(=O)=O)c1.c17ccc(C)cc1.CO3.O4C.N56.C57 |
16366 | COc1ccc(OC)c(S(=O)(=O)NC2CCCCC2C)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c13ccc4c(S5(=O)=O)c1.C16CCCCC1C.CO3.O4C.N56 |
16367 | COc1ccc(OC)c(S(=O)(=O)Nc2cccc(SC)c2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][S][C][=C][Ring1][Branch2][=C][Ring2][Ring1][Ring2] | c13ccc4c(S5(=O)=O)c1.c16cccc7c1.CO3.O4C.N56.S7C |
16368 | CCOc1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][C][=C][Ring2][Ring1][Ring2] | S7(=O)(=O)c1cc5ccc16.c14ccc8cc1.CC3.O34.N78.O5C.O6C |
16369 | CCN(c1ccccc1)S(=O)(=O)c1cc(OC)ccc1OC | [C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C] | S5(=O)(=O)c1cc2ccc13.c16ccccc1.N456.CC4.O2C.O3C |
16370 | COc1ccc(OC)c(S(=O)(=O)NC2CCCC(C)C2C)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2] | c13ccc4c(S5(=O)=O)c1.C16CCCC(C)C1C.CO3.O4C.N56 |
16372 | COc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][Ring1][P][O][C] | c13ccc(S5(=O)=O)cc14.c16cccc(F)c1.CO3.N56.O4C |
16373 | COc1ccc(S(=O)(=O)Nc2ccccc2F)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][P][O][C] | c13ccc(S5(=O)=O)cc14.c16ccccc1F.CO3.N56.O4C |
16375 | COc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][Ring1][P][O][C] | c13ccc(S5(=O)=O)cc14.c16cccc(C)c1.CO3.N56.O4C |
16377 | COc1ccc(S(=O)(=O)Nc2ccccc2C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][P][O][C] | c13ccc(S5(=O)=O)cc14.c16ccccc1C.CO3.N56.O4C |
16380 | CCc1ccccc1NS(=O)(=O)c1ccc(OC)c(OC)c1 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | S4(=O)(=O)c1ccc2c3c1.c16ccccc15.CC6.N45.O2C.O3C |
16381 | CC(=O)Nc1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c18c[nH]c2ccccc12.c16ccc7cc1.C5(=O)CCC8.CC4=O.N46.N57 |
16382 | COc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][Ring2][Ring1][C][O][C] | c13ccc(S5(=O)=O)cc14.c16ccc(F)cc1F.CO3.N56.O4C |
16383 | COc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C][O][C] | c13ccc(S5(=O)=O)cc14.c16ccc(F)c(F)c1.CO3.N56.O4C |
16385 | COc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][O][C] | c13ccc(S5(=O)=O)cc14.c16cccc7c1.C7(C)=O.CO3.N56.O4C |
16386 | COc1ccc(S(=O)(=O)Nc2ccc(C(C)=O)cc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1][O][C] | c13ccc(S5(=O)=O)cc14.c16ccc7cc1.C7(C)=O.CO3.N56.O4C |
16387 | COc1ccc(S(=O)(=O)NCC(C)C)cc1OC | [C][O][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][=C][Ring1][=C][O][C] | c12ccc(S5(=O)=O)cc13.C4C(C)C.CO2.N45.O3C |
16388 | CCN(CC)C(=O)CCCc1c[nH]c2ccccc12 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] | c16c[nH]c2ccccc12.C3(=O)CCC6.N345.CC4.C5C |
16389 | COc1ccc(S(=O)(=O)NC(C)C)cc1OC | [C][O][C][=C][C][=C][Branch1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][Ring1][=N][O][C] | c12ccc(S5(=O)=O)cc13.C4(C)C.CO2.N45.O3C |
16391 | COc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][O][C] | c13ccc(S6(=O)=O)cc14.C5CC1=CCCCC1.CO3.N56.O4C |
16392 | COc1ccccc1CNS(=O)(=O)c1ccc(OC)c(OC)c1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | S6(=O)(=O)c1ccc3c4c1.c12ccccc17.CO2.C57.N56.O3C.O4C |
16393 | CCC(C)(C)NS(=O)(=O)c1ccc(OC)c(OC)c1 | [C][C][C][Branch1][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | S5(=O)(=O)c1ccc2c3c1.CCC4(C)C.N45.O2C.O3C |
16394 | COc1ccc(S(=O)(=O)NCCC(C)C)cc1OC | [C][O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][=C][Ring1][#C][O][C] | c12ccc(S5(=O)=O)cc13.C4CC(C)C.CO2.N45.O3C |
16395 | COc1ccc(S(=O)(=O)NC2CCCCC2C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][=C][Ring1][P][O][C] | c13ccc(S5(=O)=O)cc14.C16CCCCC1C.CO3.N56.O4C |
16396 | COc1ccc(S(=O)(=O)Nc2cccc(SC)c2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][S][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C][O][C] | c13ccc(S5(=O)=O)cc14.c16cccc7c1.CO3.N56.S7C.O4C |
16397 | COc1ccc(S(=O)(=O)NC(C)c2ccccc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][O][C] | c13ccc(S6(=O)=O)cc14.c17ccccc1.C57C.CO3.N56.O4C |
16398 | COc1ccc(S(=O)(=O)NCc2ccccn2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P][O][C] | c13ccc(S6(=O)=O)cc14.c17ccccn1.CO3.N56.C57.O4C |
16400 | COc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=C][Ring1][P][O][C] | c13ccc(S5(=O)=O)cc14.c16ccc(Cl)cn1.CO3.N56.O4C |
16401 | CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1 | [C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | S5(=O)(=O)c1ccc2c3c1.c16ccccc1.N456.CC4.O2C.O3C |
16402 | COc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C][O][C] | c13ccc(S6(=O)=O)cc14.c17ccc(F)cc1.CO3.N56.C57.O4C |
16403 | O=S(=O)(Nc1cccc(Cl)c1)c1cccs1 | [O][=S][=Branch1][C][=O][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][C][=C][S][Ring1][Branch1] | O=S2(=O)c1cccs1.c13cccc(Cl)c1.N23 |
16404 | O=S(=O)(Nc1ccc(F)cc1)c1cccs1 | [O][=S][=Branch1][C][=O][Branch1][=N][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][S][Ring1][Branch1] | O=S2(=O)c1cccs1.c13ccc(F)cc1.N23 |
16405 | COc1ccc(NC(=O)C2Oc3ccccc3OC2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][#Branch2][C][C][=C][Ring2][Ring1][Ring2] | C17Oc2ccccc2OC1C.c15ccc6cc1.C47=O.CO5.N46 |
16406 | O=S(=O)(Nc1cccc(F)c1)c1cccs1 | [O][=S][=Branch1][C][=O][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=C][C][=C][S][Ring1][Branch1] | O=S2(=O)c1cccs1.c13cccc(F)c1.N23 |
16407 | O=S(=O)(Nc1ccccc1F)c1cccs1 | [O][=S][=Branch1][C][=O][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][S][Ring1][Branch1] | O=S2(=O)c1cccs1.c13ccccc1F.N23 |
16408 | Cc1ccccc1NS(=O)(=O)c1cccs1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | S2(=O)(=O)c1cccs1.Cc1ccccc13.N23 |
16409 | O=S(=O)(Nc1ccc(F)c(F)c1)c1cccs1 | [O][=S][=Branch1][C][=O][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][=C][C][=C][S][Ring1][Branch1] | O=S2(=O)c1cccs1.c13ccc(F)c(F)c1.N23 |
16410 | O=S(=O)(Nc1ccc(F)c(Cl)c1)c1cccs1 | [O][=S][=Branch1][C][=O][Branch1][S][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][C][=C][S][Ring1][Branch1] | O=S2(=O)c1cccs1.c13ccc(F)c(Cl)c1.N23 |
16411 | CC1(C)CC(CC(=O)Nc2nccs2)(c2ccccc2)CCO1 | [C][C][Branch1][C][C][C][C][Branch1][=C][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][Ring2][Ring1][=Branch1] | CC1(C)CC56CCO1.c16ccccc1.c14nccs1.C5C3=O.N34 |
16412 | CCC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1 | [C][C][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C] | S5(=O)(=O)c1ccc6cc1.c17ccccc1.CCC3=O.C47=O.N35.N46 |
16413 | CC(=O)Nc1ccc(S(=O)(=O)NC(=O)CC(C)C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][=C][Ring1][S] | c15ccc(S4(=O)=O)cc1.C3(=O)CC(C)C.CC2=O.N25.N34 |
16414 | COc1ccc(C)cc1NS(=O)(=O)c1cccs1 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | c12ccc(C)cc14.S3(=O)(=O)c1cccs1.CO2.N34 |
16415 | COC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][#C] | S4(=O)(=O)c1cccs1.c16ccc5cc1.C36=O.CO3.N45 |
16416 | CCN(CC)c1ncnc2scc(C3COc4ccccc4O3)c12 | [C][C][N][Branch1][Ring1][C][C][C][=N][C][=N][C][S][C][=C][Branch1][#C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][Ring2][Ring1][Ring1][=Ring1][#C] | c17ncnc2scc8c12.C18COc2ccccc2O1.N567.CC5.C6C |
16418 | CC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][S][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][#C] | S3(=O)(=O)c1cccs1.c15cccc4c1.CC5=O.N34 |
16419 | O=C(NCc1ccco1)C1(c2ccccc2)CCCC1 | [O][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][O] | C157CCCC1.c17ccccc1.c16ccco1.O=C35.N34.C46 |
16420 | Cc1cc(OCC(=O)NC2CC2)c2c3c(c(=O)oc2c1)CCC3 | [C][C][=C][C][Branch1][=N][O][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1][C][C][C][Ring1][#Branch2] | Cc1cc6c2c3c(c(=O)oc2c1)CCC3.C5C4=O.C17CC1.O56.N47 |
16421 | CCOC(=O)C1(O)CSc2nc3sc4c(c3c(=O)n21)CCC4 | [C][C][O][C][=Branch1][C][=O][C][Branch1][C][O][C][S][C][=N][C][S][C][=C][Branch1][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][Ring1][=C][C][C][C][Ring1][=Branch2] | C5(=O)C1(O)CSc2nc3sc4c(c3c(=O)n21)CCC4.CC6.O56 |
16422 | O=S(=O)(c1cccs1)N1CCN(c2cccc(Cl)c2)CC1 | [O][=S][=Branch1][C][=O][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][=N] | O=S3(=O)c1cccs1.N13CCN4CC1.c14cccc(Cl)c1 |
16423 | COc1ccccc1CNS(=O)(=O)c1cccs1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | S4(=O)(=O)c1cccs1.c12ccccc15.CO2.C35.N34 |
16424 | COc1ccc(CNS(=O)(=O)c2cccs2)cc1 | [C][O][C][=C][C][=C][Branch1][P][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][S] | S5(=O)(=O)c1cccs1.c13ccc6cc1.CO3.C46.N45 |
16426 | COc1ccc(CCNS(=O)(=O)c2cccs2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][P] | S5(=O)(=O)c1cccs1.c13ccc6cc1.C6C4.CO3.N45 |
16427 | Cc1ccc(CNS(=O)(=O)c2cccs2)cc1 | [C][C][=C][C][=C][Branch1][P][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][S] | S4(=O)(=O)c1cccs1.Cc1ccc5cc1.C35.N34 |
16428 | CC1CCCCC1NS(=O)(=O)c1cccs1 | [C][C][C][C][C][C][C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | S2(=O)(=O)c1cccs1.CC1CCCCC13.N23 |
16429 | O=S(=O)(NCc1ccc2c(c1)OCO2)c1cccs1 | [O][=S][=Branch1][C][=O][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][=C][S][Ring1][Branch1] | c15ccc2c(c1)OCO2.O=S4(=O)c1cccs1.N34.C35 |
16431 | CCC1CCCCN1S(=O)(=O)c1cccs1 | [C][C][C][C][C][C][C][N][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1] | S2(=O)(=O)c1cccs1.C13CCCCN12.CC3 |
16432 | COc1ccc2c(c1)Cc1sc(NC(=O)c3cccnc3)nc1-2 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][=Ring1][=C][Ring2][Ring1][C] | c15ccc2c(c1)Cc1sc6nc1-2.c17cccnc1.C47=O.CO5.N46 |
16434 | COc1cc2c(cc1C)-c1nc(NC(C)=O)sc1CC2 | [C][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][C][C][N][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][S][C][=Ring1][=Branch2][C][C][Ring1][S] | c14cc2c(cc1C)-c1nc5sc1CC2.C3(C)=O.CO4.N35 |
16435 | O=S(=O)(Nc1nnc(C2CCCCC2)s1)c1ccccc1 | [O][=S][=Branch1][C][=O][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][C][=C][Ring1][=Branch1] | O=S3(=O)c1ccccc1.c14nnc5s1.C15CCCCC1.N34 |
16436 | CC(C)(C)n1cnc2cc(NCc3ccccn3)ccc21 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=N][C][=C][C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][=C][Ring1][=C][Ring1][P] | n16cnc2cc5ccc21.c17ccccn1.CC6(C)C.N45.C47 |
16440 | CCC(=O)c1cc2c(cc1NC(=O)c1ccccc1)OCCO2 | [C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][O][Ring1][P] | c15cc2c(cc14)OCCO2.c16ccccc1.CCC5=O.C36=O.N34 |
16444 | CC(C)CC(=O)Nc1nnc(CC(C)(C)C)s1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][C][S][Ring1][#Branch2] | CC(C)CC2=O.c13nnc4s1.C4C(C)(C)C.N23 |
16446 | CCOc1ccc(C(=O)Nc2ccc(Br)cn2)cc1 | [C][C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=C][Ring1][S] | c15ccc7cc1.c16ccc(Br)cn1.C37=O.CC4.O45.N36 |
16448 | CCS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)c(O)c1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][O][=C][Ring1][P] | CCS(=O)(=O)c1ccc4c(O)c1.c15ccc(F)cc1.C35=O.N34 |
16451 | CCOc1ccc(NC(=O)Nc2cc(C)on2)cc1 | [C][C][O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][=C][Ring1][S] | c16ccc8cc1.c17cc(C)on1.C34=O.CC5.O56.N38.N47 |
16452 | CCOc1ccc(NC(=O)Nc2cccc(C)n2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][=C][Ring1][P] | c16ccc8cc1.c17cccc(C)n1.C34=O.CC5.O56.N38.N47 |
16453 | COc1ccc(NC(=O)Nc2cccc(C)n2)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring1] | c15ccc8c6c1.c17cccc(C)n1.C34=O.CO5.N38.N47.O6C |
16454 | COC(=O)c1ccccc1NC(=O)CSc1ccccn1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1] | c16ccccc15.c17ccccn1.C3(=O)C4.C26=O.CO2.N35.S47 |
16455 | Cc1cccc(NC(=O)Nc2ccc(C)c(C)c2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][=N][Ring2][Ring1][C] | c16ccc(C)c(C)c1.Cc1cccc5n1.C34=O.N35.N46 |
16456 | CCOC(=O)C1CCN(C(=O)NC2CCCCC2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][#C] | C18CCN4CC1.C17CCCCC1.C38=O.C45=O.CC6.O36.N57 |
16457 | C=CCn1c(SCC(=O)N2CCCCC2)nc2ccccc2c1=O | [C][=C][C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=O] | n15c6nc2ccccc2c1=O.N13CCCCC1.C4C3=O.C=CC5.S46 |
16458 | O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)N1CCCC1 | [O][=C][Branch2][Ring1][O][C][O][C][=C][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O][C][C][C][Ring1][#Branch2][N][C][C][C][C][Ring1][Branch1] | c16ccc2c3c(c(=O)oc2c1)CCC3.N14CCCC1.O=C4C5.O56 |
16460 | O=C(Nc1ccc2c(c1)OCCO2)C1CCCCC1 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][C][C][C][C][C][Ring1][=Branch1] | c14ccc2c(c1)OCCO2.C15CCCCC1.O=C35.N34 |
16461 | COC(=O)c1[nH]c2c(c1C)C(=O)C(C(=O)OC)C(C)C2 | [C][O][C][=Branch1][C][=O][C][NH1][C][=C][Branch1][Branch1][C][=Ring1][Branch1][C][C][=Branch1][C][=O][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][Ring1][=C] | c15[nH]c2c(c1C)C(=O)C6C(C)C2.C35=O.C46=O.CO3.O4C |
16462 | Cc1ccc(C2CC(=O)Nc3cc4c(cc32)OCO4)o1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][O][O][C][O][Ring1][#Branch1][O][Ring2][Ring1][Ring1] | Cc1ccc(C2CC(=O)Nc3cc4c(cc32)OCO4)o1 |
16463 | CC(C)Sc1nc2c(c(=O)n1C)SC(C)C2 | [C][C][Branch1][C][C][S][C][=N][C][=C][Branch1][=Branch2][C][=Branch1][C][=O][N][Ring1][#Branch1][C][S][C][Branch1][C][C][C][Ring1][#Branch2] | c14nc2c(c(=O)n1C)SC(C)C2.CC3C.S34 |
16465 | CCOC(=O)C(C)Sc1nc2c(c(=O)n1C)SC(C)C2 | [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][C][=C][Branch1][=Branch2][C][=Branch1][C][=O][N][Ring1][#Branch1][C][S][C][Branch1][C][C][C][Ring1][#Branch2] | c16nc2c(c(=O)n1C)SC(C)C2.C3(=O)C5C.CC4.O34.S56 |
16466 | c1ccc2oc(SCc3cn4cccnc4n3)nc2c1 | [C][=C][C][=C][O][C][Branch1][S][S][C][C][=C][N][C][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][=Branch2][=N][C][Ring1][S][=C][Ring2][Ring1][Ring2] | c1ccc2oc7nc2c1.c16cn2cccnc2n1.S57.C56 |
16467 | Cc1sc2ncnc(N(CCO)CCO)c2c1C | [C][C][S][C][=N][C][=N][C][Branch1][#Branch2][N][Branch1][Ring2][C][C][O][C][C][O][=C][Ring1][=N][C][=Ring1][S][C] | Cc1sc2ncnc5c2c1C.N345.C3CO.C4CO |
16468 | CC1Cc2nc(SCC(=O)c3ccccc3)n(C)c(=O)c2S1 | [C][C][C][C][N][=C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring2][Ring1][C][S][Ring2][Ring1][Branch1] | CC1Cc2nc6n(C)c(=O)c2S1.c15ccccc1.C4C5=O.S46 |
16469 | CCSc1nc2c(c(=O)n1CC)SC(C)C2 | [C][C][S][C][=N][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][S][C][Branch1][C][C][C][Ring1][O] | c15nc2c(c(=O)n14)SC(C)C2.CC3.S35.C4C |
16470 | CCOC(=O)CSc1nc2c(c(=O)n1CC)SC(C)C2 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][#Branch2][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][S][C][Branch1][C][C][C][Ring1][O] | c17nc2c(c(=O)n16)SC(C)C2.C3(=O)C5.CC4.O34.S57.C6C |
16471 | CC(=O)Nc1ccc(Nc2ncnc3sc(C)c(C)c23)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=N][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][O][=Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c15ncnc2sc(C)c(C)c12.c16ccc7cc1.CC4=O.N46.N57 |
16473 | Oc1cccc(Nc2nc(N3CCOCC3)c3ccccc3n2)c1 | [O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][S][=C][Ring2][Ring1][#Branch1] | c14nc5c2ccccc2n1.Oc1cccc6c1.N15CCOCC1.N46 |
16474 | CCn1c(SC(C)C(=O)OC)nc2c(c1=O)SC(C)C2 | [C][C][N][C][Branch1][N][S][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=N][C][=C][Branch1][Branch1][C][Ring1][=N][=O][S][C][Branch1][C][C][C][Ring1][Branch2] | n15c6nc2c(c1=O)SC(C)C2.C4(C)C3=O.CC5.S46.O3C |
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