ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
30368 | COCC(C)NC(=O)c1ccccc1OC(C)=O | [C][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][=O] | c17ccccc15.C4C6C.C37=O.C2(C)=O.CO4.N36.O25 |
30370 | CC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 | [C][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring1][N] | c15ccc(Cl)cc1.c14nnc5s1.CC3=O.N34 |
30371 | Cc1cccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Branch1] | c16ccc(S(N)(=O)=O)cc1.Cc1cccc5c1.C35=O.C4C6.N34 |
30372 | CN(C)S(=O)(=O)Nc1ccc(F)c(Cl)c1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] | c12ccc(F)c(Cl)c1.CN(C)S(=O)(=O)N2 |
30373 | CCOC(=O)C1CCCN(C(=O)c2ccc(SC)cc2OC)C1 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2][O][C][C][Ring2][Ring1][C] | c18ccc9cc16.C17CCCN4C1.C37=O.C48=O.CC5.O35.S9C.O6C |
30374 | CC1CN(C(=O)Cc2ccc(Br)cc2)CC(C)O1 | [C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][Branch1][C][C][O][Ring1][P] | CC1CN3CC(C)O1.c14ccc(Br)cc1.C3(=O)C4 |
30375 | Nc1nc(NCc2ccco2)nn1-c1ccccc1 | [N][C][=N][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | Nc1nc4nn16.c16ccccc1.c15ccco1.N34.C35 |
30377 | CS(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] | c14ccc(S(N)(=O)=O)cc1.CS3(=O)=O.C2C4.N23 |
30379 | Cc1cc(C)nc(NC(=O)c2cccc(Cl)c2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][Ring1][P] | Cc1cc(C)nc4n1.c15cccc(Cl)c1.C35=O.N34 |
30380 | COCC(C)NC(=O)c1ccc(SC)cc1OC | [C][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2][O][C] | c16ccc7cc14.C3C5C.C26=O.CO3.N25.S7C.O4C |
30381 | CC1(C)Cc2ccccc2-c2nc3n(c(=O)c21)CC(C#N)S3 | [C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][=Ring1][#Branch1][Ring1][S][C][C][Branch1][Ring1][C][#N][S][Ring1][#Branch2] | CC1(C)Cc2ccccc2-c2nc3n(c(=O)c21)CC(C#N)S3 |
30382 | CCOc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1OCC | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][O][C][C] | c1%11ccc2c(c1)OCO2.c17ccc%10cc18.C4%10=O.CC5.O57.N49.C9%11.O68.C6C |
30383 | COc1ccc(CCNC(=O)Cc2cccs2)cc1 | [C][O][C][=C][C][=C][Branch1][S][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][P] | c14ccc7cc1.c16cccs1.C3(=O)C6.C7C5.CO4.N35 |
30384 | O=C(NCc1ccc2c(c1)OCO2)N1CCOCC1 | [O][=C][Branch2][Ring1][C][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1] | c16ccc2c(c1)OCO2.N14CCOCC1.O=C34.N35.C56 |
30386 | COc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][C][Ring1][=C][C][=C][Ring2][Ring1][=Branch1] | c16cccc(C)c1C.c15ccc7cc1.N14CCN6CC1.C47=O.CO5 |
30387 | Cc1cc(Br)ccc1NS(=O)(=O)N(C)C | [C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C] | Cc1cc(Br)ccc12.N2S(=O)(=O)N(C)C |
30388 | CN(C)S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] | CN(C)S(=O)(=O)N5.c15ccc4cc1.c16ccccc1.O34.C36 |
30389 | O=C(OCc1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 | [O][=C][Branch2][Ring1][C][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c16ccc2c(c1)OCO2.c15ccc2c(c1)OCO2.O=C35.O34.C46 |
30391 | COc1cc(NC(=O)c2c(OC)cccc2OC)cc(OC)c1 | [C][O][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch1] | c14cc7cc8c1.c19c5cccc16.C39=O.CO4.N38.O5C.O6C.O7C |
30393 | COc1cc(C(=O)Nc2ccc(C(C)=O)cc2)cc(Cl)c1OC | [C][O][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][=C][C][Branch1][C][Cl][=C][Ring2][Ring1][Ring1][O][C] | c14cc7cc(Cl)c15.c16ccc8cc1.C37=O.C8(C)=O.CO4.N36.O5C |
30394 | Cc1cccnc1NC(=O)C1COc2ccccc2O1 | [C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C15COc2ccccc2O1.Cc1cccnc14.C35=O.N34 |
30397 | Cc1cc(C)c2c(N)c(C(=O)c3ccc(O)cc3)sc2n1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch1][C][N][=C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][C][Ring1][#C][=N][Ring2][Ring1][Ring2] | Cc1cc(C)c2c(N)c4sc2n1.c15ccc(O)cc1.C45=O |
30399 | CC(C)NC(=O)COc1ccc(Br)cc1Cl | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Cl] | c14ccc(Br)cc1Cl.C2(=O)C3.CC5C.N25.O34 |
30400 | COC(=O)C1=C(C)NC(=O)NC1c1cc(O)ccc1Br | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Br] | C2(=O)C1=C(C)NC(=O)NC13.c13cc(O)ccc1Br.CO2 |
30401 | COC(=O)C1=C(C)NC(=O)NC1c1cc(C)ccc1C | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C] | C2(=O)C1=C(C)NC(=O)NC13.c13cc(C)ccc1C.CO2 |
30402 | CCOc1cccc(C2NC(=O)NC(C)=C2C(=O)OC)c1OC | [C][C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][C][O][C] | C17NC(=O)NC(C)=C1C3=O.c15cccc7c16.CC4.O45.O3C.O6C |
30404 | Cc1ccc(C(=O)N2CCCCCC2)c(Cl)c1 | [C][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][Branch1][C][Cl][=C][Ring1][S] | Cc1ccc4c(Cl)c1.N13CCCCCC1.C34=O |
30406 | Cc1ccnc(NC(=O)c2ccc(C)cc2Cl)c1 | [C][C][=C][C][=N][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Cl][=C][Ring1][P] | c15ccc(C)cc1Cl.Cc1ccnc4c1.C35=O.N34 |
30407 | O=C(Nc1ccc(NC(=O)c2cccs2)c(Cl)c1)c1ccco1 | [O][=C][Branch2][Ring1][O][N][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][Branch1][C][Cl][=C][Ring1][#C][C][=C][C][=C][O][Ring1][Branch1] | c15ccc6c(Cl)c1.c18cccs1.c17ccco1.O=C37.C48=O.N35.N46 |
30408 | CCCC(=O)Nc1cc(OC)c(Cl)cc1OC | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][Cl][C][=C][Ring1][=Branch2][O][C] | c15cc3c(Cl)cc14.CCCC2=O.N25.O3C.O4C |
30409 | COCC(=O)Nc1ccc(OCc2ccccc2)cc1 | [C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C] | c17ccc6cc1.c18ccccc1.C4C3=O.CO4.N37.O56.C58 |
30410 | CNC(=O)COc1ccc(Br)cc1Cl | [C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Cl] | c14ccc(Br)cc1Cl.C2(=O)C3.CN2.O34 |
30412 | Cc1ccc(C(=O)N2CCc3ccccc3C2)c(Cl)c1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][Branch1][C][Cl][=C][Ring2][Ring1][Ring1] | N14CCc2ccccc2C1.Cc1ccc5c(Cl)c1.C45=O |
30414 | NC(=O)COc1ccc(Br)cc1Cl | [N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Cl] | c13ccc(Br)cc1Cl.NC(=O)C2.O23 |
30415 | CCOc1ccc(C2NC(=O)NC(C)=C2C(=O)OC)cc1C | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][C][=C][Ring2][Ring1][C][C] | C16NC(=O)NC(C)=C1C3=O.c15ccc6cc1C.CC4.O45.O3C |
30416 | Cc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)c(Cl)c1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][Branch1][C][Cl][=C][Ring2][Ring1][Ring2] | c15ccc2c(c1)OCCO2.Cc1ccc6c(Cl)c1.C46=O.N45 |
30417 | COCC(=O)Nc1ccc(Br)cc1F | [C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F] | c14ccc(Br)cc1F.C3C2=O.CO3.N24 |
30418 | Cc1ccc(C(=O)NCC2CCCO2)c(Cl)c1 | [C][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][Branch1][C][Cl][=C][Ring1][S] | Cc1ccc5c(Cl)c1.C16CCCO1.C35=O.N34.C46 |
30419 | Cc1ccc(C(=O)N(C(C)C)C(C)C)c(Cl)c1 | [C][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Branch1][C][Cl][=C][Ring1][S] | Cc1ccc5c(Cl)c1.C25=O.N234.C3(C)C.C4(C)C |
30420 | CCOC(=O)c1c(NC(=O)COC)sc2c1CCCC2 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][N][C][=Branch1][C][=O][C][O][C][S][C][=C][Ring1][O][C][C][C][C][Ring1][=Branch1] | c18c7sc2c1CCCC2.C4(=O)C6.C38=O.CC5.O35.N47.O6C |
30421 | O=C(COc1ccc(Br)cc1Cl)N1CCCC1 | [O][=C][Branch1][#C][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Cl][N][C][C][C][C][Ring1][Branch1] | c14ccc(Br)cc1Cl.N12CCCC1.O=C2C3.O34 |
30422 | COCC(=O)Nc1cc(OC)c(Cl)cc1OC | [C][O][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][C][Cl][C][=C][Ring1][=Branch2][O][C] | c16cc4c(Cl)cc15.C3C2=O.CO3.N26.O4C.O5C |
30423 | CCOC(=O)N1CCN(C(=O)c2ccc(C)cc2Cl)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][S] | c17ccc(C)cc1Cl.N14CCN5CC1.C34=O.C57=O.CC6.O36 |
30424 | COC(=O)C1=C(C)NC(=O)NC1c1cc(Cl)cc(OC)c1OC | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][Branch1][C][Cl][=C][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][O][C] | C2(=O)C1=C(C)NC(=O)NC15.c15cc(Cl)cc3c14.CO2.O3C.O4C |
30425 | CC(=O)Nc1cc(C(=O)Nc2ccc(C)cc2)ccc1Cl | [C][C][=Branch1][C][=O][N][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][S][Cl] | c15cc7ccc1Cl.c16ccc(C)cc1.CC3=O.C47=O.N35.N46 |
30427 | CC(=O)Nc1ccc(NC(=O)c2ccc(C)cc2Cl)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Cl][C][=C][Ring1][P] | c17ccc(C)cc1Cl.c15ccc6cc1.CC3=O.C47=O.N35.N46 |
30428 | CC(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][C][Cl][=C][Ring1][#C] | c15ccc6c(Cl)c1.c17ccco1.CC3=O.C47=O.N35.N46 |
30430 | Cc1ccc(C(=O)NCc2cccnc2)c(Cl)c1 | [C][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][P] | Cc1ccc5c(Cl)c1.c16cccnc1.C35=O.N34.C46 |
30431 | COc1ccc(CNC(=O)CCCc2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] | c14ccc6cc1.C3(=O)CCC7.c17ccccc1.CO4.C56.N35 |
30432 | Cc1ccc(C(=O)N2CCC(C(N)=O)CC2)c(Cl)c1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][C][Branch1][C][Cl][=C][Ring2][Ring1][C] | Cc1ccc5c(Cl)c1.N13CCC4CC1.C35=O.C4(N)=O |
30433 | CCOc1cc(C2NC(=O)NC(C)=C2C(=O)OC)cc(Cl)c1O | [C][C][O][C][=C][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][Cl][=C][Ring2][Ring1][Ring1][O] | C16NC(=O)NC(C)=C1C3=O.c15cc6cc(Cl)c1O.CC4.O45.O3C |
30434 | CCOC(=O)C1CCN(C(=O)c2ccc(C)cc2Cl)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][S] | c17ccc(C)cc1Cl.C16CCN4CC1.C36=O.C47=O.CC5.O35 |
30435 | COC(=O)C1=C(C)NC(=O)NC1c1ccc(O)c(Br)c1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][=C][Branch1][C][O][C][Branch1][C][Br][=C][Ring1][Branch2] | C2(=O)C1=C(C)NC(=O)NC13.c13ccc(O)c(Br)c1.CO2 |
30436 | COC(=O)C1=C(C)NC(=O)NC1c1cc(Cl)c(OC)c(OC)c1 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][C][=C][C][Branch1][C][Cl][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][O] | C2(=O)C1=C(C)NC(=O)NC15.c15cc4c3c(Cl)c1.CO2.O3C.O4C |
30440 | CCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O] | c13ccc(Cl)c4c1.CCC2=O.C4(F)(F)F.N23 |
30441 | O=C(COc1ccc(Br)cc1Cl)Nc1ccncc1 | [O][=C][Branch1][#C][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Cl][N][C][=C][C][=N][C][=C][Ring1][=Branch1] | c14ccc(Br)cc1Cl.c15ccncc1.O=C2C3.O34.N25 |
30442 | O=C(COc1ccc(Br)cc1Cl)N1CCOCC1 | [O][=C][Branch1][#C][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Cl][N][C][C][O][C][C][Ring1][=Branch1] | c14ccc(Br)cc1Cl.N12CCOCC1.O=C2C3.O34 |
30443 | CC(C)C(=O)Nc1ccc(Br)cc1F | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F] | c13ccc(Br)cc1F.CC(C)C2=O.N23 |
30444 | COc1ccc(C(=O)Cc2ccccc2)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][Ring1][O][C][=C][Ring1][P] | c13ccc5c4c1.c16ccccc1.C5(=O)C6.CO3.O4C |
30445 | COC(=O)c1ccc(NC(=O)C(C)Oc2ccccc2OC)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring2][Ring1][Ring2] | c19ccc8cc1.c16ccccc17.C4(=O)C5C.C39=O.CO3.N48.O56.O7C |
30449 | OC(COc1ccccc1Cl)Cn1nnc2ccccc21 | [O][C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | n15nnc2ccccc21.c14ccccc1Cl.OC(C3)C5.O34 |
30450 | COC(=O)c1sc(NC(=O)COc2cccc(C)c2)nc1C | [C][O][C][=Branch1][C][=O][C][S][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=N][C][=Ring1][P][C] | c18sc7nc1C.c16cccc(C)c1.C4(=O)C5.C38=O.CO3.N47.O56 |
30451 | CCNc1nc(C)c2cc(Br)c(=O)n(CC)c2n1 | [C][C][N][C][=N][C][Branch1][C][C][=C][C][=C][Branch1][C][Br][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][Ring1][#Branch2][=N][Ring1][#C] | c14nc(C)c2cc(Br)c(=O)n5c2n1.CC3.N34.C5C |
30453 | CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl | [C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Cl] | c16cc(S5(=O)=O)ccc1Cl.N15CCOCC1.C36=O.CC4.N34 |
30454 | Cc1cc(C)c(OCC(=O)N2CCOCC2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch1][#C][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][C] | Cc1cc(C)c5c(C)c1.N13CCOCC1.C4C3=O.O45 |
30456 | Cc1nccn1CC(O)COc1ccccc1Br | [C][C][=N][C][=C][N][Ring1][Branch1][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | c13ccccc1Br.Cc1nccn14.C4C(O)C2.O23 |
30457 | O=C(Oc1cc(=O)oc2ccccc12)c1ccc2c(c1)OCCO2 | [O][=C][Branch2][Ring1][Ring1][O][C][=C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | c14cc(=O)oc2ccccc12.c15ccc2c(c1)OCCO2.O=C35.O34 |
30459 | CCN(CC)S(=O)(=O)c1ccc(-c2cn3cccc(C)c3n2)cc1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][=C][N][C][=C][C][=C][Branch1][C][C][C][Ring1][#Branch1][=N][Ring1][#Branch2][C][=C][Ring1][S] | S6(=O)(=O)c1ccc7cc1.c17cn2cccc(C)c2n1.N456.CC4.C5C |
30462 | Cc1ccc(NS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2][C] | S3(=O)(=O)c1ccc(S(N)(=O)=O)cc1.Cc1ccc4cc1C.N34 |
30463 | Cc1cccc(NC(=O)C2COc3ccccc3O2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][=N][Ring2][Ring1][Ring1] | C16COc2ccccc2O1.Cc1cccc5n1.C46=O.N45 |
30464 | COc1ccc(C(=O)Oc2ccc3c(c2)OCO3)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][C][O][C] | c16ccc2c(c1)OCO2.c15ccc8cc17.C48=O.CO5.O46.O7C |
30465 | O=C(COc1ccccc1F)c1ccc(O)cc1O | [O][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O] | c14ccc(O)cc1O.c13ccccc1F.O=C4C2.O23 |
30466 | COc1ccc(C(=O)Cc2ccc(F)cc2)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C] | c13ccc5c4c1.c16ccc(F)cc1.C5(=O)C6.CO3.O4C |
30467 | CCN1C(=O)C(O)(CC(=O)c2ccccc2O)c2ccccc21 | [C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][#C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] | CCN1C(=O)C(O)(CC3=O)c2ccccc21.c13ccccc1O |
30468 | COc1ccccc1OC(C)C(=O)Nc1ccccc1F | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c14ccccc15.c16ccccc1F.C3(C)C2=O.CO4.O35.N26 |
30469 | CC1=C(C(=O)OC(C)(C)C)C(c2cccs2)NC(=O)N1 | [C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][Ring1] | CC1=C(C3=O)C5NC(=O)N1.c15cccs1.C4(C)(C)C.O34 |
30470 | O=c1c(-c2cnn(-c3ccccc3)c2)coc2c3c(ccc12)OCO3 | [O][=C][C][Branch2][Ring1][C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][=C][O][C][=C][C][=Branch1][=Branch2][=C][C][=C][Ring2][Ring1][Branch1][Ring1][=Branch1][O][C][O][Ring1][Branch2] | O=c1c5coc2c3c(ccc12)OCO3.c15cnn4c1.c14ccccc1 |
30471 | COc1ccccc1OC(C)C(=O)Nc1cccc(C(C)=O)c1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][=Branch2] | c14ccccc15.c16cccc7c1.C3(C)C2=O.C7(C)=O.CO4.O35.N26 |
30472 | Nn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cccnc1 | [N][N][C][Branch1][S][S][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][=N][N][=C][Ring1][S][C][=C][C][=C][N][=C][Ring1][=Branch1] | c15nc2ccccc2[nH]1.Nn1c6nnc17.c17cccnc1.S46.C45 |
30473 | CC(C)OC(NC(=O)c1ccco1)C(Cl)(Cl)Cl | [C][C][Branch1][C][C][O][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][C][Cl][Branch1][C][Cl][Cl] | C45C(Cl)(Cl)Cl.c16ccco1.CC3C.C26=O.O34.N25 |
30474 | CC1CCc2c(sc(NC(=O)c3ccccc3)c2C(N)=O)C1 | [C][C][C][C][C][=C][Branch2][Ring1][#Branch2][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=C][C][Branch1][C][N][=O][C][Ring2][Ring1][Branch1] | CC1CCc2c(sc5c27)C1.c16ccccc1.C46=O.C7(N)=O.N45 |
30476 | CC(=O)Nc1c(-c2ccc(C)cc2)nc2ccc(Cl)cn12 | [C][C][=Branch1][C][=O][N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][=C][C][=C][C][Branch1][C][Cl][=C][N][Ring1][P][Ring1][#Branch1] | c14c5nc2ccc(Cl)cn12.c15ccc(C)cc1.CC3=O.N34 |
30477 | CCN(CC)C(=O)c1cccc(-c2ccc(OC(C)=O)cc2)c1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][=C][Ring1][S] | c18cccc9c1.c19ccc5cc1.N467.C48=O.C3(C)=O.CC6.C7C.O35 |
30478 | CC(=O)Oc1ccc(-c2cccc(C(=O)N3CCCCC3)c2)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | c16ccc8cc1.c18cccc7c1.N15CCCCC1.CC4=O.C57=O.O46 |
30479 | O=C(CSc1nncn1-c1ccccc1)c1ccc(F)cc1 | [O][=C][Branch2][Ring1][C][C][S][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c13ccc(F)cc1.c15nncn14.c14ccccc1.O=C3C2.S25 |
30481 | Cc1ccccc1CNS(=O)(=O)c1ccc(Cl)cc1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | S3(=O)(=O)c1ccc(Cl)cc1.Cc1ccccc14.C24.N23 |
30482 | CCc1ccc(C(=O)CSc2nncn2C)cc1 | [C][C][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][C][S][C][=N][N][=C][N][Ring1][Branch1][C][C][=C][Ring1][S] | c15ccc4cc1.c16nncn1C.C4(=O)C3.CC5.S36 |
30483 | CC(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][Ring1][P] | c15cccc4c1.c16ccc(Cl)cc1.C3(=O)C6.CC5=O.N34 |
30485 | COc1ccc(-c2noc(COc3ccccc3)n2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=N][O][C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring1][O][C] | c15ccc9cc17.c19noc8n1.c16ccccc1.CO5.C48.O46.O7C |
30486 | CC(C)(C)NC(=O)CSc1nc2ccccc2s1 | [C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] | c16nc2ccccc2s1.CC4(C)C.C3(=O)C5.N34.S56 |
30488 | COc1ccc(NC(=O)COc2ccc(Cl)c(C)c2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1][O][C] | c15ccc8cc17.c16ccc(Cl)c(C)c1.C3(=O)C4.CO5.N38.O46.O7C |
30490 | Cc1ccc(NC(=O)COc2ccc(-n3cnnn3)cc2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O][C][=C][Ring2][Ring1][=Branch1][C] | Cc1ccc7cc1C.c16ccc8cc1.n18cnnn1.C4(=O)C5.N47.O56 |
30491 | N#Cc1cccc(Cn2nnc(-c3ccccc3)n2)c1 | [N][#C][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][N][N][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][=C][Ring2][Ring1][C] | N#Cc1cccc5c1.n14nnc6n1.c16ccccc1.C45 |
30492 | CCc1ccc(NC(=O)CCSc2nnc(C)s2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c16ccc5cc1.c17nnc(C)s1.C3(=O)CC4.CC6.N35.S47 |
30493 | CC(=O)c1cccc(NC(=O)c2ccc(OC(C)C)cc2)c1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1] | c17cccc6c1.c18ccc5cc1.CC7=O.C38=O.C4(C)C.N36.O45 |
30494 | CC1=C(C(=O)N2CCOCC2)C(c2ccc(Cl)cc2)NC(=O)N1 | [C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch1] | CC1=C(C3=O)C4NC(=O)N1.c14ccc(Cl)cc1.N13CCOCC1 |
30495 | Cc1cccc(OCc2nc(-c3ccncc3)no2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring2][O][C][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O][=C][Ring2][Ring1][Ring1] | Cc1cccc5c1.c16nc7no1.c17ccncc1.O45.C46 |
30496 | COc1ccccc1N(C(C)=O)c1nc(C)cc(C)c1C#N | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][#N] | c14nc(C)cc(C)c1C#N.c13ccccc15.N245.C2(C)=O.CO3 |
30497 | CC1=C(C(=O)N2CCOCC2)C(c2cccc(F)c2)NC(=O)N1 | [C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch1] | CC1=C(C3=O)C4NC(=O)N1.c14cccc(F)c1.N13CCOCC1 |
30499 | CCc1ccc(OCC(=O)Nc2ccc(OC)c(OC)c2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1] | c18ccc6c7c1.c19ccc5cc1.C4C3=O.CC9.O45.N38.O6C.O7C |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.