ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
37308 | COc1ccc(C)cc1S(=O)(=O)NCCc1ccccc1 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c12ccc(C)cc1S4(=O)=O.c15ccccc1.C3C5.CO2.N34 |
37309 | COc1ccc(C)cc1S(=O)(=O)Nc1ccccc1 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c12ccc(C)cc1S3(=O)=O.c14ccccc1.CO2.N34 |
37311 | COc1ccc(C)cc1S(=O)(=O)NCC(C)C | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][C][C] | c12ccc(C)cc1S4(=O)=O.C3C(C)C.CO2.N34 |
37312 | CCC(C)NS(=O)(=O)c1cc(C)ccc1OC | [C][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C] | S4(=O)(=O)c1cc(C)ccc12.CCC3C.N34.O2C |
37313 | COc1ccc(C)cc1S(=O)(=O)Nc1cccc(C(C)=O)c1 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][=Branch2] | c12ccc(C)cc1S3(=O)=O.c14cccc5c1.C5(C)=O.CO2.N34 |
37314 | COc1ccc(C)cc1S(=O)(=O)NCCC(C)C | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C] | c12ccc(C)cc1S4(=O)=O.C3CC(C)C.CO2.N34 |
37315 | COc1ccc(C)cc1S(=O)(=O)N(C)Cc1ccccc1 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c12ccc(C)cc1S4(=O)=O.c15ccccc1.N34C.CO2.C35 |
37316 | COC(=O)c1ccccc1NS(=O)(=O)c1cc(C)ccc1OC | [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][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C] | S4(=O)(=O)c1cc(C)ccc13.c16ccccc15.C26=O.CO2.N45.O3C |
37317 | COC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2OC)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][C][=C][Ring2][Ring1][Ring1] | S5(=O)(=O)c1cc(C)ccc14.c17ccc6cc1.C37=O.CO3.N56.O4C |
37319 | CCOC(=O)C1CCN(c2oc(C)nc2C#N)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][=N][C][O][C][Branch1][C][C][=N][C][=Ring1][=Branch1][C][#N][C][C][Ring1][=C] | c15oc(C)nc1C#N.C16CCN5CC1.C36=O.CC4.O34 |
37325 | O=C(COc1ccccc1)NCCC1=CCCCC1 | [O][=C][Branch1][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][=C][C][C][C][C][Ring1][=Branch1] | C5CC1=CCCCC1.c14ccccc1.O=C2C3.O34.N25 |
37326 | CC(=O)Nc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c17ccc8cc1.c16ccc(Cl)cc1.C4(=O)C5.CC3=O.N37.N48.O56 |
37328 | NC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | c17ccc6cc1.c15ccc(Cl)cc1.C3(=O)C4.NC7=O.N36.O45 |
37329 | COc1ccc(CC(=O)Nc2cccc(C(C)=O)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][=O][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | c14ccc7cc1.c15cccc6c1.C7C3=O.C6(C)=O.CO4.N35 |
37336 | COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1N | [C][O][C][=Branch1][C][=O][C][NH1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][=Ring1][=N][N] | c16[nH]c2cc4c5cc2c1N.C36=O.CO3.O4C.O5C |
37337 | CC(C)(C)OC(=O)N1CCN(C(=O)C2CC2)CC1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][O] | N14CCN5CC1.CC6(C)C.C34=O.C57=O.C17CC1.O36 |
37338 | CC(=O)c1ccc(OC(=O)COc2ccccc2Cl)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][C] | c17ccc5cc1.c16ccccc1Cl.C3(=O)C4.CC7=O.O35.O46 |
37339 | CC(=O)c1ccccc1OC(=O)COc1ccc(C)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c16ccccc14.c15ccc(C)cc1.C2(=O)C3.CC6=O.O24.O35 |
37340 | Cc1ccn(C(=O)COc2cccc3ccccc23)n1 | [C][C][C][=C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][=Ring2][Ring1][Ring1] | c15cccc2ccccc12.Cc1ccn(C(=O)C4)n1.O45 |
37341 | COc1cc(Br)c(Br)cc1O | [C][O][C][=C][C][Branch1][C][Br][=C][Branch1][C][Br][C][=C][Ring1][Branch2][O] | c12cc(Br)c(Br)cc1O.CO2 |
37342 | CCn1nnc(NC(=O)COc2ccccc2Cl)n1 | [C][C][N][N][=N][C][Branch1][P][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring1][P] | c15ccccc1Cl.n17nnc6n1.C3(=O)C4.CC7.N36.O45 |
37343 | CCn1nnc(NC(=O)c2ccc(OC)c(OC)c2)n1 | [C][C][N][N][=N][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][C] | c17ccc4c5c1.n18nnc6n1.C37=O.CC8.N36.O4C.O5C |
37345 | N#Cc1c(-c2ccccc2)cc(C2CC2)nc1SCC(N)=O | [N][#C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=C][Ring1][#C][S][C][C][Branch1][C][N][=O] | N#Cc1c6cc5nc14.c16ccccc1.C3C(N)=O.C15CC1.S34 |
37349 | CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc3c(c2)OCO3)c1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | c18ccc2c(c1)OCO2.c16ccc(Cl)c7c1.CCC4=O.C58=O.N46.N57 |
37350 | CCn1nnc(NC(=O)c2cc3ccccc3o2)n1 | [C][C][N][N][=N][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=N][Ring1][P] | c16cc2ccccc2o1.n17nnc5n1.C46=O.CC7.N45 |
37351 | O=C(Nc1ccccc1N1CCCCC1)c1cccnc1 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1] | c13ccccc14.N14CCCCC1.c15cccnc1.O=C25.N23 |
37352 | Cc1cc(Br)cc(C)c1NC(=O)c1ccc2c(c1)OCO2 | [C][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | Cc1cc(Br)cc(C)c14.c15ccc2c(c1)OCO2.C35=O.N34 |
37353 | CCC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c18ccc2c(c1)OCO2.c16ccc7cc1.CCC4=O.C58=O.N46.N57 |
37354 | N#Cc1ccccc1NC(=O)c1ccc2c(c1)OCO2 | [N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c15ccc2c(c1)OCO2.N#Cc1ccccc14.C35=O.N34 |
37355 | O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc2c(c1)OCO2 | [O][=C][Branch2][Ring1][C][N][C][=C][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c14ccc2[nH]c(=O)[nH]c2c1.c15ccc2c(c1)OCO2.O=C35.N34 |
37356 | Cc1ccn(C(=O)COc2ccc(Cl)cc2)n1 | [C][C][C][=C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=Ring1][S] | Cc1ccn(C(=O)C3)n1.c14ccc(Cl)cc1.O34 |
37357 | Cc1ccn(C(=O)COc2ccccc2C(C)C)n1 | [C][C][C][=C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][N][=Ring2][Ring1][C] | Cc1ccn(C(=O)C3)n1.c14ccccc15.C5(C)C.O34 |
37358 | Cc1sc(NC(=O)COc2ccccc2Cl)c(C(N)=O)c1C | [C][C][S][C][Branch1][P][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=Ring2][Ring1][Ring2][C] | Cc1sc6c7c1C.c15ccccc1Cl.C3(=O)C4.C7(N)=O.N36.O45 |
37360 | Cc1sc(NC(=O)COc2ccc(C(C)C)cc2)c(C(N)=O)c1C | [C][C][S][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=Ring2][Ring1][=Branch1][C] | Cc1sc6c7c1C.c15ccc8cc1.C3(=O)C4.C8(C)C.C7(N)=O.N36.O45 |
37361 | Cc1cc(C)cc(OCC(=O)Nc2sc(C)c(C)c2C(N)=O)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][#Branch2][O][C][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Branch1][C][N][=O][=C][Ring2][Ring1][=Branch1] | Cc1cc5cc(C)c1.c16sc(C)c(C)c17.C4C3=O.C7(N)=O.O45.N36 |
37363 | Cc1ccn(C(=O)COc2ccc(Cl)c(C)c2)n1 | [C][C][C][=C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][Branch2][N][=Ring1][P] | Cc1ccn(C(=O)C3)n1.c14ccc(Cl)c(C)c1.O34 |
37365 | Cc1cc(C)n(C(=O)COc2c(C)cccc2C)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][O][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][N][=Ring2][Ring1][C] | Cc1cc(C)n(C(=O)C3)n1.c14c(C)cccc1C.O34 |
37366 | CC(=O)N(C)c1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1 | [C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring1] | c16cc(C)cc(C)c1.c17ccc8cc1.C4(=O)C5.CC3=O.N37C.N48.O56 |
37367 | Cc1cc(C)n(C(=O)COc2ccccc2C(C)C)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][N][=Ring2][Ring1][Ring1] | Cc1cc(C)n(C(=O)C3)n1.c14ccccc15.C5(C)C.O34 |
37368 | Cc1cc(C)n(C(=O)COc2ccc(Cl)c(C)c2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][Branch2][N][=Ring2][Ring1][C] | Cc1cc(C)n(C(=O)C3)n1.c14ccc(Cl)c(C)c1.O34 |
37369 | Cc1ccn(C(=O)c2ccc(C)c(Br)c2)n1 | [C][C][C][=C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Br][=C][Ring1][Branch2][N][=Ring1][#C] | Cc1ccn(C3=O)n1.c13ccc(C)c(Br)c1 |
37370 | CC(=O)c1ccc(OC(=O)CCc2ccccc2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c15ccc4cc1.c16ccccc1.C3(=O)CC6.CC5=O.O34 |
37372 | Cc1ccc(OCC(=O)Nc2sc(C)c(C)c2C(N)=O)c(C)c1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][C][=Branch1][C][=O][N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Branch1][C][N][=O][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc5c(C)c1.c16sc(C)c(C)c17.C4C3=O.C7(N)=O.O45.N36 |
37373 | COC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCC2 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][S][C][=C][Ring1][=N][C][C][C][C][Ring1][=Branch1] | c17c5sc2c1CCCC2.c16ccco1.C37=O.C46=O.CO3.N45 |
37375 | CCC(C)c1ccc(OCC(=O)Nc2ccccc2C(N)=O)cc1 | [C][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][Ring2] | c18ccc5cc1.c16ccccc17.CCC8C.C4C3=O.C7(N)=O.O45.N36 |
37377 | O=C1CCCN1S(=O)(=O)c1ccc(Br)cc1 | [O][=C][C][C][C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | O=C1CCCN1S(=O)(=O)c1ccc(Br)cc1 |
37378 | O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1cccnc1 | [O][=C][Branch2][Ring1][Branch2][C][O][C][=C][C][=C][O][C][=C][Branch1][#Branch1][C][Ring1][Branch1][=C][Ring1][=Branch2][C][C][C][C][Ring1][Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1] | c16ccc2oc3c(c2c1)CCCC3.c17cccnc1.O=C4C5.O56.N47 |
37379 | Cc1ccc2c(c1)C(O)(CC(=O)c1ccco1)C(=O)N2 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][O][Branch1][=N][C][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][S] | Cc1ccc2c(c1)C(O)(CC3=O)C(=O)N2.c13ccco1 |
37380 | Cc1cc(C(F)F)n2nc(C(=O)Nc3cc(F)ccc3C)nc2n1 | [C][C][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][N][N][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][N][=C][Ring1][S][N][=Ring2][Ring1][#Branch1] | Cc1cc7n2nc6nc2n1.c15cc(F)ccc1C.C7(F)F.C46=O.N45 |
37381 | C=CCN1C(=O)C(O)(CC(=O)c2ccncc2)c2ccccc21 | [C][=C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][=C][C][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | C=CCN1C(=O)C(O)(CC3=O)c2ccccc21.c13ccncc1 |
37383 | Cc1ccc(S(=O)(=O)N2CCN(C(=O)N(C)C)CC2)cc1C | [C][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][O][C][=C][Ring2][Ring1][Ring2][C] | Cc1ccc(S5(=O)=O)cc1C.N15CCN3CC1.C34=O.N4(C)C |
37384 | COc1ccc(-c2nc(N)n(C(=O)c3cccs3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][=C][Branch1][C][N][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][N][=Ring1][=N][C][=C][Ring2][Ring1][Ring1] | c16nc(N)n(C5=O)n1.c14ccc6cc1.c15cccs1.CO4 |
37385 | CCOC(=O)CSc1nc(C)c(CC)c(C)c1C(N)=O | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=C][Branch1][Ring1][C][C][C][Branch1][C][C][=C][Ring1][#Branch2][C][Branch1][C][N][=O] | c17nc(C)c6c(C)c15.C2(=O)C4.C5(N)=O.CC3.O23.S47.C6C |
37386 | COc1ccc(OC)c(C(=O)C2COC(=O)C2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][#C][C][=Branch1][C][=O][C][C][O][C][=Branch1][C][=O][C][Ring1][=Branch1][=C][Ring1][S] | c13ccc4c6c1.C15COC(=O)C1.C56=O.CO3.O4C |
37387 | O=C1OC(C(=O)Nc2cccc(C(F)(F)F)c2)Cc2ccccc21 | [O][=C][O][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1] | O=C1OC5Cc2ccccc21.c14cccc6c1.C6(F)(F)F.C35=O.N34 |
37390 | CC(=O)c1ccc(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][N][=C][N][=C][Branch1][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][N][Ring1][#Branch2][N][=Ring1][=N][C][=C][Ring2][Ring1][=Branch1] | c16nc2nc(C)cc8n2n1.c17ccc5cc1.CC7=O.C46=O.C8(F)F.N45 |
37392 | CSc1nc2c(c(-c3ccc(O)cc3)c1C#N)CCC2 | [C][S][C][=N][C][=C][Branch2][Ring1][Ring2][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][Ring1][=N][C][#N][C][C][C][Ring1][S] | c14nc2c(c5c1C#N)CCC2.c15ccc(O)cc1.CS4 |
37393 | CCOc1ccccc1NC(=O)c1nc2nc(C)cc(C(F)F)n2n1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][=C][N][=C][Branch1][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][N][Ring1][#Branch2][N][=Ring1][=N] | c17nc2nc(C)cc8n2n1.c15ccccc16.C37=O.C8(F)F.CC4.O45.N36 |
37394 | Cc1cc(C(F)F)n2ncc(C(=O)NC3CCCCCC3)c2n1 | [C][C][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][N][N][=C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][#Branch1][=C][Ring1][#C][N][=Ring2][Ring1][=Branch1] | Cc1cc7n2ncc6c2n1.C15CCCCCC1.C7(F)F.C46=O.N45 |
37397 | CC(Sc1nc(N)cc(N)n1)C(=O)Nc1ccc(Cl)cc1 | [C][C][Branch1][S][S][C][=N][C][Branch1][C][N][=C][C][Branch1][C][N][=N][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c15nc(N)cc(N)n1.c14ccc(Cl)cc1.CC3C2=O.S35.N24 |
37398 | OC(COc1ccc(F)cc1)Cn1cnc(-c2ccccc2)c1 | [O][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][O] | c14ccc(F)cc1.n15cnc6c1.c16ccccc1.OC(C3)C5.O34 |
37399 | COC(=O)CN1C(=O)C(O)(CC(=O)c2ccc(C)o2)c2ccccc21 | [C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | C3(=O)CN1C(=O)C(O)(CC4=O)c2ccccc21.c14ccc(C)o1.CO3 |
37400 | CC(=O)Nc1ccc(NC(=O)CC2Nc3ccccc3NC2=O)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][Branch1] | C18Nc2ccccc2NC1=O.c16ccc7cc1.C5(=O)C8.CC4=O.N46.N57 |
37401 | COc1ccc(C(=O)Nn2c(C)ccc2C)cc1OC | [C][O][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][N][C][Branch1][C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][S][O][C] | C5(=O)Nn1c(C)ccc1C.c13ccc5cc14.CO3.O4C |
37402 | COc1ccc(CNS(=O)(=O)c2ccc(Cl)c(OC)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | S6(=O)(=O)c1ccc(Cl)c4c1.c13ccc7cc1.CO3.C57.N56.O4C |
37403 | OC(COc1ccccc1F)Cn1cnc2ccccc21 | [O][C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | n15cnc2ccccc21.c14ccccc1F.OC(C3)C5.O34 |
37404 | Nc1nc(-c2ccccc2)nn1C(=O)Cc1ccccc1 | [N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Nc1nc4nn1C(=O)C3.c14ccccc1.c13ccccc1 |
37405 | COc1ccc(S(=O)(=O)N(C)CC(=O)NC2CC2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][C][O][C] | c14ccc(S7(=O)=O)cc15.C6C3=O.N67C.C18CC1.CO4.N38.O5C |
37406 | COc1cc(C)c(C)cc1S(=O)(=O)n1c(C)nc2ccccc21 | [C][O][C][=C][C][Branch1][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | c13cc(C)c(C)cc1S(=O)(=O)n1c(C)nc2ccccc21.CO3 |
37407 | Cc1cc(OCC(=O)N(C)C)c2c(C)cc(=O)oc2c1 | [C][C][=C][C][Branch1][N][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring2][Ring1][Ring1] | Cc1cc5c2c(C)cc(=O)oc2c1.C4C3=O.N3(C)C.O45 |
37408 | COC(=O)c1cnn2c(C(F)F)cc(-c3ccc(C)cc3)nc12 | [C][O][C][=Branch1][C][=O][C][C][=N][N][C][Branch1][=Branch1][C][Branch1][C][F][F][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][=N][C][=Ring2][Ring1][Ring1][Ring1][S] | c15cnn2c6cc7nc12.c17ccc(C)cc1.C45=O.C6(F)F.CO4 |
37410 | COc1ccccc1C(=O)n1nc(-c2ccco2)nc1N | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][=C][Ring1][#Branch2][N] | C4(=O)n1nc5nc1N.c13ccccc14.c15ccco1.CO3 |
37411 | CCNc1nc(N)nc(Oc2ccc(C(=O)OC)cc2)n1 | [C][C][N][C][=N][C][Branch1][C][N][=N][C][Branch2][Ring1][C][O][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][C] | c17nc4nc(N)n1.c15ccc8cc1.C38=O.CC6.N67.O45.O3C |
37412 | Cc1ccc(Cl)c2c1NC(=O)C2(O)CC(=O)c1ccco1 | [C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Ring1][=Branch1][Branch1][C][O][C][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | Cc1ccc(Cl)c2c1NC(=O)C2(O)CC3=O.c13ccco1 |
37413 | COC(=O)c1ccccc1NC(=O)C1(c2ccccc2)CCOCC1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][C][Ring1][N] | c17ccccc15.C168CCOCC1.c18ccccc1.C37=O.C46=O.CO3.N45 |
37414 | COC(=O)C(C)Oc1cc(C)cc2oc(=O)cc(C)c12 | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][Branch1][C][C][=C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Ring1][=N][=Ring1][Branch2] | c15cc(C)cc2oc(=O)cc(C)c12.C3(=O)C4C.CO3.O45 |
37415 | Cc1cc(=O)oc2c(C)c(OCC(=O)OC(C)C)ccc12 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][C][Branch1][=N][O][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][#C] | Cc1cc(=O)oc2c(C)c6ccc12.C4C3=O.C5(C)C.O46.O35 |
37418 | Cc1ccc(NC(=O)Cn2c(=O)oc3ccccc32)cc1C | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2][C] | n16c(=O)oc2ccccc21.Cc1ccc5cc1C.C4(=O)C6.N45 |
37419 | Cc1cc(C(F)F)n2ncc(C(=O)N3CCC(C(N)=O)CC3)c2n1 | [C][C][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][N][N][=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][Ring1][S][N][=Ring2][Ring1][#Branch1] | Cc1cc7n2ncc6c2n1.N14CCC5CC1.C7(F)F.C46=O.C5(N)=O |
37420 | CCC(C)NC(=O)C1(c2ccc(OC)cc2)CCOCC1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][O][C][C][Ring1][=C] | C167CCOCC1.c17ccc4cc1.CCC5C.C36=O.N35.O4C |
37421 | Cc1cc(=O)[nH]c(SC(C)C(=O)Nc2ccc(Cl)cc2)n1 | [C][C][=C][C][=Branch1][C][=O][NH1][C][Branch2][Ring1][=Branch1][S][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Ring2] | Cc1cc(=O)[nH]c6n1.c15ccc(Cl)cc1.C4(C)C3=O.S46.N35 |
37422 | CN(CC(=O)N1CCCCC1)S(=O)(=O)c1ccc(F)cc1 | [C][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(F)cc1.N12CCCCC1.C3C2=O.CN34 |
37423 | Cc1cccc(C)c1NC(=O)COc1ccc2ccc(=O)oc2c1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O] | c15ccc2ccc(=O)oc2c1.Cc1cccc(C)c16.C3(=O)C4.N36.O45 |
37424 | COc1cc(NC(C)=O)ccc1NC(=O)c1ccccc1 | [C][O][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][C][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14cc5ccc16.c17ccccc1.C2(C)=O.C37=O.CO4.N25.N36 |
37425 | O=C(c1cnn2c(C(F)F)cc(-c3ccccc3)nc12)N1CCCC1 | [O][=C][Branch2][Ring1][S][C][C][=N][N][C][Branch1][=Branch1][C][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring2][Ring1][C][Ring1][#C][N][C][C][C][C][Ring1][Branch1] | c15cnn2c6cc7nc12.c17ccccc1.N14CCCC1.O=C45.C6(F)F |
37426 | Cc1ccc(O)c(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)c1 | [C][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][N][=C][N][=C][Branch1][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][N][Ring1][#Branch2][N][=Ring1][=N][=C][Ring2][Ring1][#Branch1] | c16nc2nc(C)cc7n2n1.Cc1ccc(O)c5c1.C46=O.C7(F)F.N45 |
37427 | CC(C)NC(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=N][N][C][Branch1][=Branch1][C][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring2][Ring1][C][Ring1][#C] | c16cnn2c7cc8nc12.c18ccccc1.CC5C.C46=O.C7(F)F.N45 |
37428 | COc1ccc(C(=O)n2nc(-c3ccco3)nc2N)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][=C][Ring1][#Branch2][N][C][=C][Ring2][Ring1][Ring1][O][C] | C6(=O)n1nc7nc1N.c14ccc6cc15.c17ccco1.CO4.O5C |
37429 | Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N2CCCCC2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1] | Cc1cc(C)c(S5(=O)=O)c(C)c1.N13CCCCC1.C4C3=O.N45C |
37430 | Cc1nnc(NC(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)s1 | [C][C][=N][N][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=N][S][Ring2][Ring1][Branch1] | C16CC(=O)N7C1.c17ccc(Cl)cc1.Cc1nnc5s1.C46=O.N45 |
37431 | COc1ccc(CNS(=O)(=O)c2ccc(OC)c(C)c2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2] | S6(=O)(=O)c1ccc4c(C)c1.c13ccc7cc1.CO3.C57.N56.O4C |
37434 | CN(C)c1nc(N(C)C)nc(N2CCCCC2)n1 | [C][N][Branch1][C][C][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][=N][Ring1][#C] | c13nc4nc5n1.N15CCCCC1.CN3C.N4(C)C |
37435 | CCOc1cc(C(=O)Nc2cccc(OC)c2)ccc1OC | [C][C][O][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][=C][C][=C][Ring1][P][O][C] | c15cc9ccc17.c18cccc6c1.C39=O.CC4.O45.N38.O6C.O7C |
37436 | CC1CCN(C(=O)c2nn(C)c(=O)c3ccccc23)CC1 | [C][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2] | c15nn(C)c(=O)c2ccccc12.CC1CCN4CC1.C45=O |
37438 | COC(=O)c1cccc(NC(=O)COc2ccc(OC)cc2)c1C | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Ring2][Ring1][Ring1][C] | c19cccc8c1C.c16ccc7cc1.C4(=O)C5.C39=O.CO3.N48.O56.O7C |
37439 | Cc1nn(Cc2ccccc2)c(C)c1NS(=O)(=O)c1ccccc1 | [C][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring1][=N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S3(=O)(=O)c1ccccc1.Cc1nn5c(C)c14.c16ccccc1.C56.N34 |
37440 | COc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1C | [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][C] | c13ccc(S4(=O)=O)cc1C.c15ccc(F)c(F)c1.CO3.N45 |
37442 | COc1ccc(Cl)cc1NC(=O)NCc1cccs1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1] | c14ccc(Cl)cc16.c17cccs1.C23=O.CO4.N26.N35.C57 |
37443 | CCOC(=O)C1CCN(C(=O)c2ccccc2SCC)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][C][C][Ring1][P] | C17CCN4CC1.c18ccccc19.C37=O.C48=O.CC5.O35.S69.C6C |
37444 | NC(=O)CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1 | [N][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c15ccc(S4(=O)=O)cc1.c16ccccc1.NC(=O)CC5.N34.C36 |
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