ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
30249 | COc1cc(S(=O)(=O)NCc2ccccc2)ccc1Cl | [C][O][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][=C][Ring1][P][Cl] | c13cc(S5(=O)=O)ccc1Cl.c16ccccc1.CO3.N45.C46 |
30250 | O=C(CSc1ccccc1)Nc1ccccc1F | [O][=C][Branch1][O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c14ccccc1F.c15ccccc1.O=C2C3.S35.N24 |
30251 | CCN(CC)S(=O)(=O)c1cc(C)ccc1OC | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C] | S5(=O)(=O)c1cc(C)ccc12.N345.CC3.C4C.O2C |
30252 | Cc1ccc(Nc2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc1C | [C][C][=C][C][=C][Branch2][Ring1][N][N][C][=N][C][=C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][N][Ring1][=N][C][C][=C][Ring2][Ring1][Branch1][C] | c14nc2c(c(=O)n(C)c(=O)n2C)n1C.Cc1ccc5cc1C.N45 |
30253 | CC(Oc1ccc(Cl)cc1Cl)C(=O)NC(C)(C)CO | [C][C][Branch1][=C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][O] | c14ccc(Cl)cc1Cl.CC3C2=O.C5(C)(C)CO.O34.N25 |
30255 | CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OC | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C] | S5(=O)(=O)c1cc(Cl)ccc12.N345.CC3.C4C.O2C |
30256 | Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)OCCO2 | [C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | S3(=O)(=O)c1ccc2c(c1)OCCO2.Cc1ccc(Cl)cc14.N34 |
30257 | COc1ccc(C)cc1NC(=O)C(OC)c1ccccc1 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c14ccc(C)cc15.c16ccccc1.C2(=O)C36.CO4.N25.O3C |
30258 | CCN(CC)S(=O)(=O)c1ccc(Cl)c(Cl)c1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | S4(=O)(=O)c1ccc(Cl)c(Cl)c1.N234.CC2.C3C |
30259 | CCCC(=O)c1cc(F)c(N2CCN(C(C)=O)CC2)cc1C | [C][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][S][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2][C][=C][Ring1][S][C] | c15cc(F)c4cc1C.N14CCN3CC1.CCCC5=O.C3(C)=O |
30260 | CC(Oc1ccc(Cl)cc1)C(=O)NCC1CCCO1 | [C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1] | c14ccc(Cl)cc1.CC3C2=O.C16CCCO1.O34.N25.C56 |
30261 | CN(C)C(=O)Nc1ccccc1OC(=O)N(C)C | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][Branch1][C][C][C] | c17ccccc16.CN3C.C34=O.C25=O.N5(C)C.N47.O26 |
30262 | CC(=O)Oc1cccc(C(=O)Nc2ccccc2O)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][O][=C][Ring1][S] | c15cccc7c1.c16ccccc1O.CC3=O.C47=O.O35.N46 |
30265 | COc1ccccc1NC(=O)c1cccc(OC(C)=O)c1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Ring1][#Branch2] | c14ccccc16.c17cccc5c1.C37=O.C2(C)=O.CO4.N36.O25 |
30266 | C#Cc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 | [C][#C][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] | C#Cc1cccc4c1.c15ccc(Cl)cc1.C3(=O)C5.N34 |
30267 | CN(C)C(=O)Oc1ccc(Br)c2ccccc12 | [C][N][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][Br][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | c15ccc(Br)c2ccccc12.CN4C.C34=O.O35 |
30268 | CN(C)C(=O)Nc1cccc(OC(=O)N(C)C)c1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][O][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring1][N] | c17cccc6c1.CN3C.C34=O.C25=O.N5(C)C.N47.O26 |
30269 | Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCOCC2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2] | Cc1ccc7cc1.c17nn6cc15.c16ccccc1.N14CCOCC1.C45=O |
30270 | COc1cccc(-c2nc3cc(OC)c(OC)cc3c(=O)o2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][O][Ring1][#C][=C][Ring2][Ring1][Branch1] | c17nc2cc5c6cc2c(=O)o1.c14cccc7c1.CO4.O5C.O6C |
30271 | COc1ccc(OCC(=O)Nc2cc(C)ccc2O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][=C][Ring2][Ring1][Ring1] | c17cc(C)ccc1O.c15ccc6cc1.C4C3=O.CO5.O46.N37 |
30272 | NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 | [N][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c13cn4nc15.c15ccc(Br)cc1.c14ccccc1.NC3=O |
30273 | CCC(=O)Nc1cc(-c2nc3ncccc3o2)ccc1Cl | [C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][=C][C][=N][C][=N][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][C][=C][Ring1][#C][Cl] | c16nc2ncccc2o1.c15cc6ccc1Cl.CCC4=O.N45 |
30274 | COc1ccc(OCC(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][=Branch1][C][=O][N][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][Ring2][Ring1][Ring1] | c17c[nH]c(=O)[nH]c1=O.c15ccc6cc1.C4C3=O.CO5.O46.N37 |
30275 | O=C(COC(=O)c1ccc(O)cc1)Nc1ccccc1 | [O][=C][Branch2][Ring1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccc(O)cc1.c15ccccc1.O=C3C4.C26=O.O24.N35 |
30276 | CCCC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][Ring1][=C] | c16ccc7cc1.CCCC3=O.c15nccs1.C47=O.N36.N45 |
30278 | CC(=O)Nc1cccc(NC(=O)CSc2nnc(C)s2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][=C][Ring1][P] | c16cccc7c1.c18nnc(C)s1.C4(=O)C5.CC3=O.N36.N47.S58 |
30279 | O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccc2c(c1)OCO2 | [O][=C][Branch2][Ring1][Ring1][C][N][N][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1] | c14ccc2c(c1)OCO2.n15nnc6n1.c16ccccc1.O=C3C5.N34 |
30281 | Cc1ccc(OCC(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1C | [C][C][=C][C][=C][Branch2][Ring1][Ring2][O][C][C][=Branch1][C][=O][N][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][#Branch1][=O][C][=C][Ring2][Ring1][Ring1][C] | Cc1ccc5cc1C.c16c[nH]c(=O)[nH]c1=O.C4C3=O.O45.N36 |
30283 | CCc1cc(=O)oc2c(C)c(OCC(=O)OC)ccc12 | [C][C][C][=C][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][C][Branch1][=Branch2][O][C][C][=Branch1][C][=O][O][C][=C][C][=C][Ring2][Ring1][C][Ring1][=N] | c16cc(=O)oc2c(C)c5ccc12.C4C3=O.CC6.O45.O3C |
30287 | Cc1cc(OCC(=O)N2CCCC2)ccc1Cl | [C][C][=C][C][Branch1][=C][O][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring1][#C][Cl] | Cc1cc5ccc1Cl.N13CCCC1.C4C3=O.O45 |
30288 | CC(=O)Nc1ccccc1NC(=O)COc1ccc(Cl)c(C)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][Branch2] | c15ccc(Cl)c(C)c1.c16ccccc17.C3(=O)C4.CC2=O.N26.N37.O45 |
30290 | Cc1cccnc1NC(=O)Nc1ccc(F)cc1F | [C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c15ccc(F)cc1F.Cc1cccnc14.C23=O.N24.N35 |
30292 | CC(C)N(C(=O)COc1ccccc1Cl)C(C)C | [C][C][Branch1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Branch1][C][C][C] | c14ccccc1Cl.C2(=O)C3.CC5C.N256.C6(C)C.O34 |
30293 | CC(=O)Nc1ccc(NC(=O)COc2ccc(Cl)c(C)c2)cc1 | [C][C][=Branch1][C][=O][N][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] | c16ccc(Cl)c(C)c1.c17ccc8cc1.C4(=O)C5.CC3=O.N37.N48.O56 |
30294 | NC(=O)C1CCN(C(=O)c2ccc3ccccc3c2)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][Ring2][Ring1][C] | c16ccc2ccccc2c1.C15CCN4CC1.NC5=O.C46=O |
30295 | O=C(COc1ccccc1Cl)NCC1CCCO1 | [O][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][C][C][C][C][O][Ring1][Branch1] | c14ccccc1Cl.C16CCCO1.O=C2C3.O34.N25.C56 |
30296 | Cc1cc(OCC(=O)Nc2ccccn2)ccc1Cl | [C][C][=C][C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][=C][Ring1][P][Cl] | Cc1cc5ccc1Cl.c16ccccn1.C4C3=O.O45.N36 |
30297 | O=C(COc1ccccc1Cl)N1CCCCCC1 | [O][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][C][C][C][C][C][Ring1][#Branch1] | c14ccccc1Cl.N12CCCCCC1.O=C2C3.O34 |
30298 | CCC(C)NC(=O)COc1ccc(Cl)c(C)c1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][Branch2] | c14ccc(Cl)c(C)c1.CCC5C.C2(=O)C3.N25.O34 |
30299 | CCN(CC)C(=O)COc1ccc(Cl)c(C)c1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][Branch2] | c14ccc(Cl)c(C)c1.C2(=O)C3.N256.CC5.C6C.O34 |
30301 | CC(=O)c1ccc(NC(=O)COc2ccccc2Cl)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][C] | c17ccc6cc1.c15ccccc1Cl.C3(=O)C4.CC7=O.N36.O45 |
30302 | O=C(COc1ccccc1Cl)NCc1ccccn1 | [O][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c14ccccc1Cl.c16ccccn1.O=C2C3.O34.N25.C56 |
30304 | Cc1cccc(NC(=O)COc2ccccc2Cl)n1 | [C][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring2][Ring1][C] | Cc1cccc6n1.c15ccccc1Cl.C3(=O)C4.N36.O45 |
30305 | CCOC(=O)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][Ring2][Ring1][C] | c18ccc2ccccc2c1.N15CCN6CC1.C45=O.C68=O.CC7.O47 |
30306 | COc1ccc(OCc2nc(-c3ccc(OC)c(OC)c3)no2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][O][C][C][=N][C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=N][O][Ring1][#C][C][=C][Ring2][Ring1][#Branch1] | c1%10ccc7c8c1.c15ccc6cc1.c19nc%10no1.CO5.O46.C49.O7C.O8C |
30307 | Cc1cc(OCC(=O)NC(C)(C)C)ccc1Cl | [C][C][=C][C][Branch1][S][O][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring1][#C][Cl] | Cc1cc4ccc1Cl.C3C2=O.C5(C)(C)C.O34.N25 |
30309 | Cc1cc(C)nc(NC(=O)c2ccc(C)c(C)c2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][=N][Ring2][Ring1][C] | Cc1cc(C)nc4n1.c15ccc(C)c(C)c1.C35=O.N34 |
30310 | COCC(C)NC(=O)c1ccc(OC)cc1OC | [C][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C] | c17ccc4cc15.C3C6C.C27=O.CO3.N26.O4C.O5C |
30311 | COc1ccc(C2OC(=O)C(C)(C)C(=O)C2C)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][Ring1][#Branch2][C][C][=C][Ring1][P][O][C] | C15OC(=O)C(C)(C)C(=O)C1C.c13ccc5cc14.CO3.O4C |
30312 | COc1ccc(OC)c(NS(=O)(=O)N(C)C)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][=C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring1][#C] | c12ccc3c4c1.N4S(=O)(=O)N(C)C.CO2.O3C |
30313 | CC(=O)Nc1ccc(-c2csc(-c3cccnc3)n2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][C][=C][S][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][O][C][=C][Ring1][P] | c15ccc6cc1.c16csc7n1.c17cccnc1.CC4=O.N45 |
30314 | COC(=O)C1CCN(C(=O)Cc2ccccc2OC)CC1 | [C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][Ring1][P] | C16CCN4CC1.c17ccccc15.C4(=O)C7.C36=O.CO3.O5C |
30316 | COc1cc(SC)ccc1C(=O)Nc1nc(C)cc(C)n1 | [C][O][C][=C][C][Branch1][Ring1][S][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2] | c13cc6ccc15.c14nc(C)cc(C)n1.C25=O.CO3.S6C.N24 |
30317 | CC(C)(CO)NC(=O)Nc1ccc(Cl)c(Cl)c1 | [C][C][Branch1][C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] | c15ccc(Cl)c(Cl)c1.CC4(C)CO.C23=O.N24.N35 |
30318 | O=C(Cc1ccc(Br)cc1)N1CCCCC1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][C][C][C][C][Ring1][=Branch1] | c13ccc(Br)cc1.N12CCCCC1.O=C2C3 |
30319 | COc1ccc(Cl)cc1C(=O)N1CC(C)OC(C)C1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2] | c13ccc(Cl)cc14.N12CC(C)OC(C)C1.C24=O.CO3 |
30320 | CC(=O)Nc1cccc(NC(=O)CCc2ccccc2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][P] | c15cccc6c1.c17ccccc1.C4(=O)CC7.CC3=O.N35.N46 |
30321 | COC(=O)C1CCN(C(=O)c2cc(Cl)ccc2OC)CC1 | [C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][C][Ring1][P] | c17cc(Cl)ccc15.C16CCN4CC1.C36=O.C47=O.CO3.O5C |
30322 | CC(=O)c1c(C)nc(-c2ccc(Cl)cc2)nc1N | [C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring1][=C][N] | c13c(C)nc4nc1N.c14ccc(Cl)cc1.CC3=O |
30323 | CCOC(=O)C1CCCN(C(=O)c2cccs2)C1 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][Ring1][=N] | C17CCCN4C1.c16cccs1.C37=O.C46=O.CC5.O35 |
30324 | COc1cc(SC)ccc1C(=O)Nc1cccc(NC(C)=O)c1 | [C][O][C][=C][C][Branch1][Ring1][S][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][#Branch2] | c14cc8ccc17.c15cccc6c1.C27=O.C3(C)=O.CO4.S8C.N25.N36 |
30325 | COc1ccc(Cl)cc1C(=O)Nc1cccc(NC(C)=O)c1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][#Branch2] | c14ccc(Cl)cc17.c15cccc6c1.C27=O.C3(C)=O.CO4.N25.N36 |
30326 | CCC(CC)NS(=O)(=O)c1ccc(Cl)cc1 | [C][C][C][Branch1][Ring1][C][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.CCC2CC.N23 |
30327 | CCOc1ccc(C(=O)N2CCC(C(=O)OC)CC2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C][Ring1][#Branch2][C][=C][Ring2][Ring1][C] | c16ccc8cc1.N14CCC7CC1.C48=O.C37=O.CC5.O56.O3C |
30328 | Cc1cc(C)nc(NC(=O)c2cccc(Br)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][Br][=C][Ring1][#Branch1][=N][Ring1][P] | Cc1cc(C)nc4n1.c15cccc(Br)c1.C35=O.N34 |
30329 | COC(=O)C1CCN(C(=O)Cc2ccc(OC)c(OC)c2)CC1 | [C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Ring1] | c18ccc5c6c1.C17CCN4CC1.C4(=O)C8.C37=O.CO3.O5C.O6C |
30330 | COCC(C)NS(=O)(=O)c1ccc(OC)cc1 | [C][O][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | S5(=O)(=O)c1ccc3cc1.C2C4C.CO2.N45.O3C |
30331 | CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][S] | S5(=O)(=O)c1ccc(C)cc1.C16CCCN5C1.C36=O.CC4.O34 |
30332 | CCc1ccc(C(=O)NCC2COc3ccccc3O2)o1 | [C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][O][Ring2][Ring1][Ring1] | C17COc2ccccc2O1.c18ccc6o1.C46=O.CC8.N45.C57 |
30333 | COc1ccc(CCNS(=O)(=O)N(C)C)cc1 | [C][O][C][=C][C][=C][Branch1][S][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][#C] | c12ccc4cc1.N3S(=O)(=O)N(C)C.C4C3.CO2 |
30334 | COC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 | [C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#C] | C15CCN4CC1.c16ccc(F)cc1.C35=O.C46=O.CO3 |
30335 | COCC(C)NS(=O)(=O)c1ccc(Cl)cc1 | [C][O][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(Cl)cc1.C2C3C.CO2.N34 |
30336 | COc1ccc(Cl)cc1C(=O)Nc1ccccn1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1] | c13ccc(Cl)cc15.c14ccccn1.C25=O.CO3.N24 |
30337 | Cc1cc(C)c(C(=O)CSc2nc(-c3ccncc3)n[nH]2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][NH1][Ring1][O][C][Branch1][C][C][=C][Ring2][Ring1][#Branch1] | Cc1cc(C)c5c(C)c1.c16nc7n[nH]1.c17ccncc1.C5(=O)C4.S46 |
30338 | CCOC(=O)C1CCCN(C(=O)Cc2ccc(OC)c(OC)c2)C1 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][Ring2][Ring1][Ring1] | c19ccc6c7c1.C18CCCN4C1.C4(=O)C9.C38=O.CC5.O35.O6C.O7C |
30339 | CCOc1cccc(=O)c2c(C)n(CC3CCCO3)c(C)c12 | [C][C][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring1][Ring1][=N] | c15cccc(=O)c2c(C)n6c(C)c12.C17CCCO1.CC4.O45.C67 |
30340 | CC(=O)c1c(C)nc(-c2ccc(Cl)cc2)nc1NC(=O)C(C)C | [C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][C] | c15c4nc6nc1C.c16ccc(Cl)cc1.C3(=O)C(C)C.CC5=O.N34 |
30341 | CCc1cccc(C)c1NC(=O)C(C)Oc1ccccc1 | [C][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16cccc(C)c15.c14ccccc1.C2(=O)C3C.CC6.N25.O34 |
30342 | COC(=O)c1ccc(NS(=O)(=O)N(C)C)cc1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][=N] | c14ccc3cc1.N3S(=O)(=O)N(C)C.C24=O.CO2 |
30343 | O=C(Cc1ccc(Br)cc1)NCc1ccncc1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1] | c14ccc(Br)cc1.c15ccncc1.O=C2C4.N23.C35 |
30344 | CC(=O)Oc1ccc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][N][Branch1][C][C][C][Branch1][C][C][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c16ccc9cc1.c17ccc8cc1.CC3=O.C49=O.N58C.C5(C)=O.O36.N47 |
30345 | Cc1cccc(NC(=O)Cc2ccc(Br)cc2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][Ring1][P] | Cc1cccc4n1.c15ccc(Br)cc1.C3(=O)C5.N34 |
30346 | CCOC(=O)C1CCCN(C(=O)c2cccc(OC)c2)C1 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][Ring1][S] | C17CCCN4C1.c18cccc6c1.C37=O.C48=O.CC5.O35.O6C |
30347 | O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccco1 | [O][=C][Branch2][Ring1][=Branch1][N][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring1][N][C][=C][C][=C][O][Ring1][Branch1] | c16ccc(Cl)cc1.c14nnc6s1.c15ccco1.O=C35.N34 |
30348 | Cc1cc(NC(=O)C2c3ccccc3Oc3ccccc32)no1 | [C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C][=N][O][Ring2][Ring1][=Branch1] | C4(=O)C1c2ccccc2Oc2ccccc21.Cc1cc5no1.N45 |
30349 | COc1cc(OC)cc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][N][Branch1][C][C][C][Branch1][C][C][=O][C][=C][Ring1][O][=C][Ring2][Ring1][=Branch1] | c15cc6cc9c1.c17ccc8cc1.C39=O.N48C.C4(C)=O.CO5.O6C.N37 |
30351 | COc1ccc(Cl)cc1C(=O)Nc1ccc(NC(C)=O)cc1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2] | c14ccc(Cl)cc17.c15ccc6cc1.C27=O.C3(C)=O.CO4.N25.N36 |
30352 | CCOC(=O)C1CCCN(C(=O)c2cc(Cl)ccc2OC)C1 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][Ring1][P] | c18cc(Cl)ccc16.C17CCCN4C1.C37=O.C48=O.CC5.O35.O6C |
30353 | COc1cc(SC)ccc1C(=O)NCC(C)C | [C][O][C][=C][C][Branch1][Ring1][S][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C] | c13cc6ccc15.C4C(C)C.C25=O.CO3.S6C.N24 |
30354 | CC(=O)N(C)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1 | [C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P] | c15ccc6cc1.c17ccccc1.S4(=O)(=O)C7.CC3=O.N35C.N46 |
30355 | CCOC(=O)Cc1csc(NC(=O)c2ccc(C)c(C)c2)n1 | [C][C][O][C][=Branch1][C][=O][C][C][=C][S][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][=N][Ring1][S] | c17ccc(C)c(C)c1.c18csc6n1.C3(=O)C8.C47=O.CC5.O35.N46 |
30356 | COCC(C)NC(=O)c1c(-c2ccccc2Cl)noc1C | [C][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][O][C][=Ring1][N][C] | c16c7noc1C.c17ccccc1Cl.C4C5C.C36=O.CO4.N35 |
30357 | COc1ccc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][N][Branch1][C][C][C][Branch1][C][C][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2][O][C] | c15ccc9cc16.c17ccc8cc1.C39=O.N48C.C4(C)=O.CO5.N37.O6C |
30359 | COC(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 | [C][O][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][C] | c18cc5cc6c1.C17CCN4CC1.C37=O.C48=O.CO3.O5C.O6C |
30360 | COC(=O)C1CCN(C(=O)c2ccccc2F)CC1 | [C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][#C] | C15CCN4CC1.c16ccccc1F.C35=O.C46=O.CO3 |
30363 | CCC(C)NC(=O)Cc1ccc(Br)cc1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c14ccc(Br)cc1.CCC3C.C2(=O)C4.N23 |
30364 | Cc1cccc(N2CCN(C(=O)c3ccccc3F)CC2)c1C | [C][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][#C][=C][Ring2][Ring1][Branch1][C] | Cc1cccc5c1C.N15CCN4CC1.c16ccccc1F.C46=O |
30365 | CC(Oc1ccccc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 | [C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2] | c15ccc(S(N)(=O)=O)cc1.c14ccccc1.CC3C2=O.O34.N25 |
30366 | COCC(C)NC(=O)c1cccc(Br)c1 | [C][O][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c15cccc(Br)c1.C3C4C.C25=O.CO3.N24 |
30367 | CCC(CC)NS(=O)(=O)c1ccc(OC)cc1 | [C][C][C][Branch1][Ring1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2] | S4(=O)(=O)c1ccc2cc1.CCC3CC.N34.O2C |
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