ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
22299 | Cc1ccc(C)c(OCC(=O)Nc2ccccn2)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring2][Ring1][C] | Cc1ccc(C)c5c1.c16ccccn1.C4C3=O.O45.N36 |
22300 | COc1ccc(OC(=O)CN(C(C)=O)c2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][=Branch1][C][=O][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | c15ccc6cc1.c18ccccc1.C3(=O)C7.N478.C4(C)=O.CO5.O36 |
22302 | COc1ccc(OC(=O)COc2cccc(C)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c15ccc6cc1.c17cccc(C)c1.C3(=O)C4.CO5.O36.O47 |
22303 | COc1ccc(S(=O)(=O)Nc2cccc(SC)c2)cc1 | [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] | c13ccc(S4(=O)=O)cc1.c15cccc6c1.CO3.N45.S6C |
22304 | CCOC(=O)c1ccc(Nc2nc3nonc3n3nnnc23)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=N][C][=N][O][N][=C][Ring1][Branch1][N][N][=N][N][=C][Ring1][N][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1] | c16nc2nonc2n2nnnc12.c18ccc7cc1.C48=O.CC5.O45.N67 |
22308 | COc1ccc(OCC(=O)Nc2cccc(SC)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][S][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1] | c15ccc6cc1.c17cccc8c1.C4C3=O.CO5.O46.N37.S8C |
22310 | COCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 | [C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccc(Cl)cc15.c16ccccc1.C3C2=O.C56=O.CO3.N24 |
22312 | CCOc1ccc(NC(=O)Cc2ccccc2F)cc1 | [C][C][O][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][P] | c15ccc6cc1.c17ccccc1F.C3(=O)C7.CC4.O45.N36 |
22313 | Cc1ccccc1S(=O)(=O)NCc1ccccn1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cc1ccccc1S3(=O)=O.c14ccccn1.N23.C24 |
22314 | Cc1cccnc1NC(=O)c1cncc(Br)c1 | [C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | Cc1cccnc13.c14cncc(Br)c1.C24=O.N23 |
22315 | Cc1ccnc(NC(=O)c2cncc(Br)c2)c1 | [C][C][=C][C][=N][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=C][Ring1][S] | Cc1ccnc4c1.c15cncc(Br)c1.C35=O.N34 |
22316 | O=C(Cc1ccccc1F)Nc1cccc2cccnc12 | [O][=C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1] | c14cccc2cccnc12.c15ccccc1F.O=C3C5.N34 |
22317 | CCc1nnc(NC(=O)Cc2ccccc2F)s1 | [C][C][C][=N][N][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][Ring1][S] | c16ccccc1F.c15nnc4s1.C3(=O)C6.CC5.N34 |
22318 | COc1ccc(CC(=O)Nc2cccc(N)c2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][C][=C][Ring1][P][O][C] | c14ccc7cc15.c16cccc(N)c1.C7C3=O.CO4.N36.O5C |
22320 | CC(C)(C)c1ccc(S(=O)(=O)Nc2cccnc2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][S] | c15ccc(S3(=O)=O)cc1.c14cccnc1.CC5(C)C.N34 |
22321 | CCOc1ccccc1C(=O)Nc1ccccc1O | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O] | c14ccccc16.c15ccccc1O.C26=O.CC3.O34.N25 |
22322 | Cc1ccc(OCC(=O)Nc2ccc(C)cn2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc5cc1.c16ccc(C)cn1.C4C3=O.O45.N36 |
22323 | CCOc1ccc(C(=O)Nc2cccc3cccnc23)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c17cccc2cccnc12.c16ccc8cc1.C48=O.CC5.O56.N47 |
22324 | O=C(Oc1ccc(OC(=O)C2CCC2)cc1)C1CCC1 | [O][=C][Branch2][Ring1][#Branch1][O][C][=C][C][=C][Branch1][N][O][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][=C][Ring1][=N][C][C][C][C][Ring1][Ring2] | c15ccc6cc1.C18CCC1.C17CCC1.O=C37.C48=O.O35.O46 |
22325 | CC(Oc1ccccc1)C(=O)Nc1ccc2c(c1)OCO2 | [C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c16ccc2c(c1)OCO2.c15ccccc1.CC4C3=O.O45.N36 |
22326 | CCOc1ccccc1NC(=O)c1cccc(NC(=O)C(C)C)c1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][Ring1][N] | c15ccccc16.c18cccc7c1.C3(=O)C(C)C.C28=O.CC4.O45.N26.N37 |
22327 | COc1ccc(NC(=O)c2cccc(NC(=O)C(C)C)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][Ring1][N][C][=C][Ring2][Ring1][Branch1] | c15ccc6cc1.c18cccc7c1.C4(=O)C(C)C.C38=O.CO5.N36.N47 |
22328 | Cc1ccnc(NC(=O)c2cccc(NC(=O)C(C)C)c2)c1 | [C][C][=C][C][=N][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][Ring1][N][=C][Ring2][Ring1][Branch1] | Cc1ccnc5c1.c17cccc6c1.C4(=O)C(C)C.C37=O.N35.N46 |
22329 | Cc1cc(NC(=O)COc2c(C)cccc2C)no1 | [C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][=N][O][Ring2][Ring1][C] | c15c(C)cccc1C.Cc1cc6no1.C3(=O)C4.N36.O45 |
22330 | Cc1ccc(OCC(=O)Nc2cc(C)on2)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][C][O][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][C] | Cc1ccc5c(C)c1.c16cc(C)on1.C4C3=O.O45.N36 |
22331 | CSc1cccc(NC(=O)Cc2cccs2)c1 | [C][S][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1][=C][Ring1][#C] | c16cccc4c1.c15cccs1.C3(=O)C5.CS6.N34 |
22332 | COc1cccc(C(=O)Nc2ccccc2O)c1OC | [C][O][C][=C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][=C][Ring1][S][O][C] | c14cccc7c15.c16ccccc1O.C37=O.CO4.N36.O5C |
22334 | CC(=O)c1cc2c(cc1NC(=O)Cc1ccccc1)OCO2 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][O][Ring1][P] | c15cc2c(cc14)OCO2.c16ccccc1.C3(=O)C6.CC5=O.N34 |
22335 | CC(=O)c1cc2c(cc1NC(=O)COc1ccccc1)OCO2 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][O][Ring2][Ring1][C] | c17cc2c(cc16)OCO2.c15ccccc1.C3(=O)C4.CC7=O.N36.O45 |
22336 | CC(CO)(CO)NC(=O)c1ccc(Br)cc1 | [C][C][Branch1][Ring1][C][O][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c14ccc(Br)cc1.CC3(CO)CO.C24=O.N23 |
22337 | COCC(=O)Nc1cc2c(cc1C(C)=O)OCO2 | [C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][C][Branch1][C][C][=O][O][C][O][Ring1][#Branch2] | c15cc2c(cc16)OCO2.C4C3=O.C6(C)=O.CO4.N35 |
22338 | COCC(=O)Nc1cc(Cl)ccc1C(F)(F)F | [C][O][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F] | c14cc(Cl)ccc15.C3C2=O.C5(F)(F)F.CO3.N24 |
22339 | CC(=O)c1cc2c(cc1NC(=O)c1ccccc1C)OCO2 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][O][Ring1][P] | c15cc2c(cc14)OCO2.c16ccccc1C.CC5=O.C36=O.N34 |
22341 | Cc1cccc(NC(=O)Nc2ccc(Cl)cc2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][P] | Cc1cccc5n1.c16ccc(Cl)cc1.C34=O.N35.N46 |
22342 | O=C(Nc1ccccn1)c1ccc(C(F)(F)F)cc1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2] | c14ccc5cc1.c13ccccn1.C5(F)(F)F.O=C24.N23 |
22345 | CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)cc2)c1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Ring2][Ring1][C] | S6(=O)(=O)c1ccc5cc1.c18cccc7c1.C38=O.CC4.O34.N67.O5C |
22346 | CCOc1ccccc1C(=O)Nc1ccc(O)cc1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | c14ccccc16.c15ccc(O)cc1.C26=O.CC3.O34.N25 |
22348 | CC(=O)c1cc2c(cc1NS(=O)(=O)c1ccccc1C)OCO2 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][O][Ring2][Ring1][C] | c15cc2c(cc14)OCO2.S3(=O)(=O)c1ccccc1C.CC5=O.N34 |
22349 | Cc1ccccc1S(=O)(=O)Nc1ccccc1O | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O] | Cc1ccccc1S2(=O)=O.c13ccccc1O.N23 |
22350 | COc1ccccc1C(=O)Nc1cc2c(cc1C(C)=O)OCO2 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][C][Branch1][C][C][=O][O][C][O][Ring1][#Branch2] | c15cc2c(cc17)OCO2.c14ccccc16.C36=O.C7(C)=O.CO4.N35 |
22351 | CC(=O)c1cc2c(cc1NC(=O)CC(C)C)OCO2 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][O][C][O][Ring1][=C] | c15cc2c(cc14)OCO2.C3(=O)CC(C)C.CC5=O.N34 |
22353 | CCOc1ccccc1C(=O)Nc1cccc(O)c1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] | c14ccccc16.c15cccc(O)c1.C26=O.CC3.O34.N25 |
22354 | CC(=O)Nc1ccc(NC(=O)COc2c(C)cccc2C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][C][=C][Ring2][Ring1][Ring1] | c16c(C)cccc1C.c17ccc8cc1.C4(=O)C5.CC3=O.N37.N48.O56 |
22356 | Cc1ccccc1S(=O)(=O)Nc1cccc(O)c1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] | Cc1ccccc1S2(=O)=O.c13cccc(O)c1.N23 |
22357 | CC(C)Oc1ccc(C(=O)Nc2cccc(O)c2)cc1 | [C][C][Branch1][C][C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][Ring1][S] | c15ccc7cc1.c16cccc(O)c1.CC4C.C37=O.O45.N36 |
22359 | COc1ccccc1C(=O)OC1CCCCC1O | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][C][C][Ring1][=Branch1][O] | c14ccccc15.C13CCCCC1O.C25=O.CO4.O23 |
22360 | COc1cc(C(=O)NC(C)(C)CO)cc(OC)c1OC | [C][O][C][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][O][=C][C][Branch1][Ring1][O][C][=C][Ring1][S][O][C] | c13cc7cc4c15.C6(C)(C)CO.C27=O.CO3.N26.O4C.O5C |
22361 | COCC(=O)Nc1cccc(NC(=O)COC)n1 | [C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][N][C][=Branch1][C][=O][C][O][C][=N][Ring1][N] | c16cccc7n1.C4C2=O.C3(=O)C5.CO4.N26.N37.O5C |
22362 | CCOC(=O)CSc1nnc2c3ccccc3n(C)c2n1 | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring1][#Branch2][=N][Ring1][=C] | c17nnc2c3ccccc3n(C)c2n1.C4(=O)C6.CC5.O45.S67 |
22363 | COC(=O)c1ccccc1NS(=O)(=O)c1ccccc1C | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C] | S3(=O)(=O)c1ccccc1C.c15ccccc14.C25=O.CO2.N34 |
22365 | COc1ccccc1OC(=O)CCc1ccccc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c13ccccc14.c15ccccc1.C2(=O)CC5.CO3.O24 |
22366 | Cc1ccc(S(=O)(=O)Nc2ccccc2N)cc1 | [C][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Ring1][P] | Cc1ccc(S3(=O)=O)cc1.c14ccccc1N.N34 |
22367 | COc1cc(C(=O)NC(C)CC(C)C)cc(OC)c1OC | [C][O][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Branch1][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][P][O][C] | c13cc7cc4c15.C6(C)CC(C)C.C27=O.CO3.N26.O4C.O5C |
22368 | Cc1ccccc1S(=O)(=O)Nc1ccc(F)cc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cc1ccccc1S2(=O)=O.c13ccc(F)cc1.N23 |
22370 | Cc1ccc(CNS(=O)(=O)c2ccccc2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][C] | S4(=O)(=O)c1ccccc1C.Cc1ccc5cc1.C35.N34 |
22371 | Cc1ccccc1S(=O)(=O)NC(C)CC(C)C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Branch1][C][C][C] | Cc1ccccc1S3(=O)=O.C2(C)CC(C)C.N23 |
22372 | Cc1ccccc1S(=O)(=O)NC1CCCCC1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1] | Cc1ccccc1S2(=O)=O.C13CCCCC1.N23 |
22373 | Cc1cc(C)n(C(=O)CNc2ccc(C)c(C)c2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][N][=Ring2][Ring1][C] | Cc1cc(C)n(C(=O)C3)n1.c14ccc(C)c(C)c1.N34 |
22376 | COc1cccc(C(=O)NC(C)c2ccccc2)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P][O][C] | c14cccc7c15.c18ccccc1.C37=O.C68C.CO4.N36.O5C |
22378 | COc1cccc(C(=O)NCc2ccc(C)cc2)c1OC | [C][O][C][=C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][Ring1][P][O][C] | c14cccc7c15.c18ccc(C)cc1.C37=O.CO4.N36.C68.O5C |
22379 | COc1cccc(C(=O)NC(C)CC(C)C)c1OC | [C][O][C][=C][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Branch1][C][C][C][=C][Ring1][#C][O][C] | c13cccc6c14.C5(C)CC(C)C.C26=O.CO3.N25.O4C |
22382 | COc1ccccc1OC(=O)c1cncc(Br)c1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c13ccccc14.c15cncc(Br)c1.C25=O.CO3.O24 |
22383 | O=C1c2ccccc2CN1c1ccc(Br)cc1 | [O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][=Branch2][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | O=C1c2ccccc2CN13.c13ccc(Br)cc1 |
22384 | CCc1nnc(NC(=O)c2cncc(Br)c2)s1 | [C][C][C][=N][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][S][Ring1][#C] | c15cncc(Br)c1.c16nnc4s1.C35=O.CC6.N34 |
22385 | Cc1cccc2sc(NC(=O)c3cncc(Br)c3)nc12 | [C][C][=C][C][=C][C][S][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=N][C][Ring2][Ring1][Ring1][=Ring1][#C] | Cc1cccc2sc5nc12.c16cncc(Br)c1.C46=O.N45 |
22386 | CC(C)COC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C | [C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C] | c16nc2c(c(=O)[nH]c(=O)n2C)n1C.CC(C)C4.C3(=O)C5.O34.S56 |
22387 | CCCn1c(N2CCCCCC2)nc2c1c(=O)[nH]c(=O)n2C | [C][C][C][N][C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][=N][C][=C][Ring1][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C] | n14c3nc2c1c(=O)[nH]c(=O)n2C.N13CCCCCC1.CCC4 |
22388 | CCOc1ccc(C(=O)Nc2cccc(O)c2)cc1 | [C][C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=C][Ring1][S] | c15ccc7cc1.c16cccc(O)c1.C37=O.CC4.O45.N36 |
22389 | Cc1nnc(NC(=O)C(C)c2ccc(CC(C)C)cc2)s1 | [C][C][=N][N][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][C][=C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][S][Ring2][Ring1][Ring2] | c15ccc6cc1.Cc1nnc4s1.C3(=O)C5C.C6C(C)C.N34 |
22390 | Cn1c(=O)[nH]c(=O)c2c1nc1n2CCN1c1ccccc1 | [C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=C][Ring1][Branch2][N][=C][N][Ring1][Branch1][C][C][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cn1c(=O)[nH]c(=O)c2c1nc1n2CCN13.c13ccccc1 |
22391 | COc1cc(OC)c(NC(=O)CC(C)C)cc1Cl | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][N][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][=C][Ring1][#C][Cl] | c13cc4c5cc1Cl.C2(=O)CC(C)C.CO3.O4C.N25 |
22392 | O=C(COc1ccc2ccccc2c1)Nc1cccc(O)c1 | [O][=C][Branch1][P][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] | c15ccc2ccccc2c1.c16cccc(O)c1.O=C3C4.O45.N36 |
22394 | O=C(COc1ccc(Cl)cc1)Nc1cccc(O)c1 | [O][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] | c14ccc(Cl)cc1.c15cccc(O)c1.O=C2C3.O34.N25 |
22395 | COc1cccc(C(=O)Nc2cccc(O)c2)c1OC | [C][O][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][=C][Ring1][S][O][C] | c14cccc7c15.c16cccc(O)c1.C37=O.CO4.N36.O5C |
22396 | O=C(Cc1ccc(Cl)cc1)Nc1cccc(O)c1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] | c14ccc(Cl)cc1.c13cccc(O)c1.O=C2C4.N23 |
22397 | Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)OCO2 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | Cc1ccccc1S3(=O)=O.c14ccc2c(c1)OCO2.N34 |
22398 | O=C(NC1CCCc2ccccc21)c1ccccc1Br | [O][=C][Branch1][S][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | N3C1CCCc2ccccc21.c14ccccc1Br.O=C34 |
22399 | CC(=O)c1cc2c(cc1NC(=O)COc1ccccc1C)OCO2 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][O][Ring2][Ring1][Ring1] | c17cc2c(cc16)OCO2.c15ccccc1C.C3(=O)C4.CC7=O.N36.O45 |
22400 | Cc1ccc(NC(=O)C(C)Oc2ccccc2)nc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring1][C] | Cc1ccc6nc1.c15ccccc1.C3(=O)C4C.N36.O45 |
22401 | CC(=O)c1cc2c(cc1NC(=O)C(C)Oc1ccccc1)OCO2 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][O][Ring2][Ring1][Ring1] | c17cc2c(cc16)OCO2.c15ccccc1.C3(=O)C4C.CC7=O.N36.O45 |
22403 | COc1ccccc1NC(=O)C(C)Oc1ccccc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccccc16.c15ccccc1.C2(=O)C3C.CO4.N26.O35 |
22404 | COc1ccc(S(=O)(=O)Nc2ccc(C)c(O)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][O][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C] | c13ccc(S4(=O)=O)cc1.c15ccc(C)c(O)c1.CO3.N45 |
22405 | Cc1ccc(C(=O)NC2CCCc3ccccc32)cc1C | [C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][C] | N4C1CCCc2ccccc21.Cc1ccc5cc1C.C45=O |
22406 | Cc1ccc(NC(=O)COc2ccccc2)cc1O | [C][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P][O] | Cc1ccc6cc1O.c15ccccc1.C3(=O)C4.N36.O45 |
22407 | c1coc(CNc2ncnc3sc4c(c23)CCCC4)c1 | [C][=C][O][C][Branch2][Ring1][Branch2][C][N][C][=N][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][Ring2] | c16ncnc2sc3c(c12)CCCC3.c1coc7c1.C57.N56 |
22408 | Cc1ccc(NC(=O)Cc2ccccc2F)cc1O | [C][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][Ring1][P][O] | Cc1ccc4cc1O.c15ccccc1F.C3(=O)C5.N34 |
22409 | Cc1ccc(NS(=O)(=O)c2ccccc2)cc1O | [C][C][=C][C][=C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][O] | S3(=O)(=O)c1ccccc1.Cc1ccc4cc1O.N34 |
22410 | CCS(=O)(=O)Nc1ccc(C(=O)c2ccccc2)cc1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] | c14ccc5cc1.c16ccccc1.CCS3(=O)=O.C56=O.N34 |
22411 | CS(=O)(=O)Nc1ccc(C(=O)c2ccccc2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] | c14ccc5cc1.c16ccccc1.CS3(=O)=O.C56=O.N34 |
22412 | COC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccccc2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P] | S4(=O)(=O)c1ccccc1.c16ccc(Cl)c5c1.C36=O.CO3.N45 |
22413 | COc1cc(OC)cc(C(=O)Nc2ccc(C)c(O)c2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][O][=C][Ring1][Branch2][=C][Ring2][Ring1][Ring1] | c14cc5cc7c1.c16ccc(C)c(O)c1.C37=O.CO4.O5C.N36 |
22415 | CC(=O)Nc1ccc(NC(=O)c2ccccn2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][#C] | c15ccc6cc1.c17ccccn1.CC3=O.C47=O.N35.N46 |
22416 | COc1cc(OC)cc(C(=O)NC2CCCc3ccccc32)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][Ring2][Ring1][Branch1] | N4C1CCCc2ccccc21.c15cc6cc7c1.C47=O.CO5.O6C |
22417 | CC(=O)Nc1ccc(NC(=O)CCC2CCCC2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][Branch1][C][=C][Ring1][S] | c15ccc6cc1.C4(=O)CC7.C17CCCC1.CC3=O.N35.N46 |
22418 | CC(=O)c1cc2c(cc1NC(=O)CCC1CCCC1)OCO2 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][Branch1][O][C][O][Ring1][P] | c15cc2c(cc14)OCO2.C3(=O)CC6.C16CCCC1.CC5=O.N34 |
22420 | Cc1ccccc1OC(C)C(=O)Nc1nccs1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1] | Cc1ccccc14.C3(C)C2=O.c15nccs1.O34.N25 |
22421 | COc1ccc(C(=O)Nc2cc3c(cc2C(C)=O)OCO3)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][C][=C][Ring1][=Branch1][C][Branch1][C][C][=O][O][C][O][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1][O][C] | c17cc2c(cc19)OCO2.c15ccc8cc16.C48=O.C9(C)=O.CO5.N47.O6C |
22422 | CCc1nnc(NC(=O)CCCc2ccccc2)s1 | [C][C][C][=N][N][=C][Branch1][P][N][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][P] | c15nnc4s1.C3(=O)CCC6.c16ccccc1.CC5.N34 |
22423 | Cc1ccc(OC(C)C(=O)Nc2nccs2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][C][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring1][P] | Cc1ccc5cc1.C4(C)C3=O.c16nccs1.O45.N36 |
22424 | Cc1ccc(OC(C)C(=O)Nc2cccc(C)n2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | Cc1ccc5cc1.c16cccc(C)n1.C4(C)C3=O.O45.N36 |
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