ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
38210 | CCC(=O)Nc1ccccc1C(=O)NC1CCCCC1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1] | c14ccccc16.C15CCCCC1.CCC2=O.C36=O.N24.N35 |
38211 | CC(=O)Nc1ccccc1NC(=O)CSc1ccc(C)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c15ccccc16.c17ccc(C)cc1.C3(=O)C4.CC2=O.N25.N36.S47 |
38212 | Cc1ccc(SCc2nc(-c3cccnc3)no2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][S][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring2][Ring1][Ring1] | Cc1ccc6cc1.c15nc7no1.c17cccnc1.S46.C45 |
38213 | Cc1ccc(SCc2nc(-c3ccccn3)no2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][S][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][C][=C][Ring2][Ring1][Ring1] | Cc1ccc6cc1.c15nc7no1.c17ccccn1.S46.C45 |
38214 | CN(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccccc1 | [C][N][Branch2][Ring1][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | S4(=O)(=O)c1ccccc1.c15nc6no1.c16ccccc1.CN34.C35 |
38216 | COc1cc2c(cc1OC)C(c1c(F)cccc1Cl)CC(=O)N2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][C][C][=Branch1][C][=O][N][Ring2][Ring1][Ring1] | c13cc2c(cc14)C(c1c(F)cccc1Cl)CC(=O)N2.CO3.O4C |
38217 | COc1ccc(C2CC(=O)Nc3cc4c(cc32)OCO4)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][O][O][C][O][Ring1][#Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1] | c15ccc(C2CC(=O)Nc3cc4c(cc32)OCO4)c6c1.CO5.O6C |
38219 | Cc1ccccc1C1CC(=O)Nc2cc3c(cc21)OCO3 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][O][O][C][O][Ring1][#Branch1] | Cc1ccccc1C1CC(=O)Nc2cc3c(cc21)OCO3 |
38220 | O=C1CC(c2c(F)cccc2Cl)c2cc3c(cc2N1)OCO3 | [O][=C][C][C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][C][=C][C][=C][Branch1][=Branch2][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C][O][C][O][Ring1][Branch2] | O=C1CC(c2c(F)cccc2Cl)c2cc3c(cc2N1)OCO3 |
38222 | Cc1ccn(C(=O)c2cc3cc(Cl)ccc3oc2=O)n1 | [C][C][C][=C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O][N][=Ring2][Ring1][Ring1] | c14cc2cc(Cl)ccc2oc1=O.Cc1ccn(C4=O)n1 |
38223 | O=C(CSc1nnnn1C1CCCCC1)N1CCCCC1 | [O][=C][Branch2][Ring1][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1] | c15nnnn14.C14CCCCC1.N12CCCCC1.O=C2C3.S35 |
38224 | CCN(CC)C(=O)CSc1nnnn1-c1cccc2ccccc12 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c17cccc2ccccc12.c18nnnn17.C3(=O)C6.N345.CC4.C5C.S68 |
38225 | Cc1cc(=O)oc2cc(Oc3nnnn3-c3ccccc3)ccc12 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][C][Branch1][P][O][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][C] | Cc1cc(=O)oc2cc5ccc12.c14nnnn16.c16ccccc1.O45 |
38226 | Cc1cc(NC(=O)CCC2COc3ccccc3O2)no1 | [C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][=N][O][Ring2][Ring1][Ring2] | C16COc2ccccc2O1.Cc1cc5no1.C4(=O)CC6.N45 |
38227 | Cc1cc(C)n(C(=O)CCC2COc3ccccc3O2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][N][=Ring2][Ring1][Ring2] | Cc1cc(C)n(C(=O)CC4)n1.C14COc2ccccc2O1 |
38228 | O=C(CCC1COc2ccccc2O1)N1CCCC1 | [O][=C][Branch1][P][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][N][C][C][C][C][Ring1][Branch1] | C14COc2ccccc2O1.O=C3CC4.N13CCCC1 |
38230 | COc1ccc(C2(CNC(=O)c3ccc(N)cc3)CCOCC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][C][O][C][C][Ring1][P][C][=C][Ring2][Ring1][#Branch1] | c15ccc9cc1.C189CCOCC1.c17ccc(N)cc1.C47=O.CO5.C68.N46 |
38231 | Cc1ccc(O)c(C(CC(=O)NCc2cccnc2)c2ccccc2)c1 | [C][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][O][C][Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch2] | Cc1ccc(O)c5c1.C56CC3=O.c17cccnc1.c16ccccc1.N34.C47 |
38232 | CCN(CCO)C(=O)CC(c1ccccc1)c1cc(Cl)ccc1O | [C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O] | c16cc(Cl)ccc1O.C2(=O)CC56.c15ccccc1.N234.C4CO.CC3 |
38233 | Nc1nnc(SCC(=O)NC2CCCCC2)n1-c1ccccc1 | [N][C][=N][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][N][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | Nc1nnc7n16.C15CCCCC1.c16ccccc1.C4C3=O.S47.N35 |
38234 | CN(CC(=O)NC1CCCC1)S(=O)(=O)c1ccc2ccccc2c1 | [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][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | S5(=O)(=O)c1ccc2ccccc2c1.C16CCCC1.C4C3=O.CN45.N36 |
38236 | Cc1ccc(NC(=O)COc2ccc(C)c(C)c2)c(N)c1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][Branch1][C][N][=C][Ring2][Ring1][Ring2] | Cc1ccc6c(N)c1.c15ccc(C)c(C)c1.C3(=O)C4.N36.O45 |
38237 | CC1CCN(C(=O)c2cc(Br)ccc2Cl)CC1 | [C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][S] | c14cc(Br)ccc1Cl.CC1CCN3CC1.C34=O |
38238 | CCC(C)NC(=O)C(C)Oc1ccc(Br)cc1 | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | c14ccc(Br)cc1.C2(=O)C3C.CCC5C.N25.O34 |
38239 | CCNC(=O)c1cc(S(=O)(=O)N(C)C)c(Cl)cc1Cl | [C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][Branch1][C][Cl][C][=C][Ring1][=N][Cl] | c15cc(S4(=O)=O)c(Cl)cc1Cl.C25=O.N4(C)C.CC3.N23 |
38241 | NC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1O | [N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][=C][Ring1][P][O] | c15cc(S3(=O)=O)ccc1O.c14ccc(F)cc1.NC5=O.N34 |
38243 | CCC(=O)Nc1ccc(-c2nn3c(C)nnc3s2)cc1 | [C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][S][C][=N][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring1][#C] | c16nn2c(C)nnc2s1.c15ccc6cc1.CCC4=O.N45 |
38244 | COc1ccc(OCCC(=O)Nc2cc(C)on2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][O][C][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c15ccc6cc1.c17cc(C)on1.C4CC3=O.CO5.O46.N37 |
38245 | NC(=O)C1CCN(C(=O)c2cc(Br)ccc2Cl)CC1 | [N][C][=Branch1][C][=O][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Cl][C][C][Ring1][S] | c15cc(Br)ccc1Cl.C14CCN3CC1.NC4=O.C35=O |
38246 | CCS(=O)(=O)N1CCC(C(=O)Nc2cc(C)ccc2O)CC1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][C][Ring1][P] | c15cc(C)ccc1O.N14CCC6CC1.CCS4(=O)=O.C36=O.N35 |
38247 | COc1cc(-c2nc3ccccc3o2)cc(OC)c1OC | [C][O][C][=C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring1][P][O][C] | c14cc7cc5c16.c17nc2ccccc2o1.CO4.O5C.O6C |
38248 | CCNC(=O)c1cc(Br)ccc1Cl | [C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Cl] | c14cc(Br)ccc1Cl.C24=O.CC3.N23 |
38249 | Cc1cccc(-c2nnc(-c3ccc(N)cc3)o2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][O][Ring1][N][=C][Ring2][Ring1][C] | Cc1cccc4c1.c15ccc(N)cc1.c14nnc5o1 |
38250 | COc1ccc(OCCC(=O)NC2CCCCC2)cc1 | [C][O][C][=C][C][=C][Branch1][P][O][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c15ccc6cc1.C17CCCCC1.C4CC3=O.CO5.O46.N37 |
38251 | CC(=O)Nc1ccc(C(=O)OCc2ccc(F)cc2)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][P] | c16ccc7cc1.c18ccc(F)cc1.CC4=O.C37=O.N46.O35.C58 |
38252 | Cc1ccc(S(=O)(=O)NCC(=O)OCc2ccc(F)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc(S6(=O)=O)cc1.c17ccc(F)cc1.C5C3=O.N56.O34.C47 |
38253 | CC1(C)C(=O)C2(CCCC2)C(=O)OC1c1ccco1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O][C][Ring1][=N][C][=C][C][=C][O][Ring1][Branch1] | CC1(C)C(=O)C2(CCCC2)C(=O)OC13.c13ccco1 |
38254 | CC1=C(C(=O)Nc2ccccc2F)C(c2ccc(F)cc2)NC(=O)N1 | [C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][Branch2] | CC1=C(C3=O)C5NC(=O)N1.c14ccccc1F.c15ccc(F)cc1.N34 |
38255 | CC(C)(C)c1csc(NC(=O)Cn2cnc3ccccc3c2=O)n1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][S][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][=N][Ring2][Ring1][Ring2] | n16cnc2ccccc2c1=O.c17csc5n1.CC7(C)C.C4(=O)C6.N45 |
38256 | COc1ccc(C)cc1NC(=O)CC1COc2ccccc2O1 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2] | C16COc2ccccc2O1.c14ccc(C)cc15.C3(=O)C6.CO4.N35 |
38257 | O=C(Nc1cccnc1)c1csc2c1CCCC2 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][S][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1] | c15csc2c1CCCC2.c14cccnc1.O=C35.N34 |
38258 | Nc1nc(-c2ccccc2)nn1C(=O)c1ccc(F)cc1 | [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][Branch1][C][F][C][=C][Ring1][#Branch1] | Nc1nc4nn1C3=O.c13ccc(F)cc1.c14ccccc1 |
38259 | Cc1cc(C(F)F)n2nc(C(=O)Nc3ccccc3F)nc2n1 | [C][C][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][N][N][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][=C][Ring1][#C][N][=Ring2][Ring1][=Branch1] | Cc1cc7n2nc6nc2n1.c15ccccc1F.C7(F)F.C46=O.N45 |
38260 | Cc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] | c15cnc2ccccc2c1.Cc1ccc6cc1.C46=O.N45 |
38261 | CCC(C)C12CN(C(C)=O)CC(C)(CN(C(C)=O)C1)C2=O | [C][C][C][Branch1][C][C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Branch1][C][C][Branch1][=N][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][Ring1][#C][C][Ring1][S][=O] | C125CN3CC(C)(CN4C1)C2=O.CCC5C.C3(C)=O.C4(C)=O |
38263 | CC(=O)OC(COc1ccc(F)cc1)Cn1c(C)nc2ccccc21 | [C][C][=Branch1][C][=O][O][C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | n17c(C)nc2ccccc21.c16ccc(F)cc1.C4(C5)C7.CC3=O.O34.O56 |
38264 | N#CCn1cnc2sc(-c3ccccc3)cc2c1=O | [N][#C][C][N][C][=N][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=Ring1][O][C][Ring1][#C][=O] | n14cnc2sc5cc2c1=O.c15ccccc1.N#CC4 |
38265 | Cc1cc(C)n(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C][N][=Ring2][Ring1][=Branch1] | c15ccc(S4(=O)=O)cc1.Cc1cc(C)n(C5=O)n1.N14CCCC1 |
38267 | CC(=O)c1cccc(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)c1 | [C][C][=Branch1][C][=O][C][=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][Ring2][Ring1][=Branch1] | c16nc2nc(C)cc8n2n1.c17cccc5c1.CC7=O.C46=O.C8(F)F.N45 |
38268 | CCOC(=O)CSc1nc(C)c(C(C)=O)cc1C(N)=O | [C][C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][#Branch2][C][Branch1][C][N][=O] | c17nc(C)c5cc16.C2(=O)C4.C5(C)=O.C6(N)=O.CC3.O23.S47 |
38270 | O=C(CSc1nnnn1-c1ccccc1)NC1CCCCCC1 | [O][=C][Branch2][Ring1][C][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][C][C][Ring1][#Branch1] | C14CCCCCC1.c16nnnn15.c15ccccc1.O=C2C3.S36.N24 |
38271 | COc1ccc(C(=O)n2nc(-c3ccccc3)nc2N)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][N][C][=C][Ring2][Ring1][Ring2][O][C] | C6(=O)n1nc7nc1N.c14ccc6cc15.c17ccccc1.CO4.O5C |
38272 | COc1ccc(-c2nc(N)n(S(C)(=O)=O)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][=C][Branch1][C][N][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][N][=Ring1][#Branch2][C][=C][Ring1][S] | c14nc(N)n(S(C)(=O)=O)n1.c13ccc4cc1.CO3 |
38273 | Cc1cc(C(F)F)n2nc(C(=O)NCc3ccccc3F)nc2n1 | [C][C][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][N][N][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][=C][Ring1][S][N][=Ring2][Ring1][#Branch1] | Cc1cc7n2nc6nc2n1.c18ccccc1F.C7(F)F.C46=O.N45.C58 |
38274 | Cc1ccc(C(=O)n2nc(-c3ccccc3)nc2N)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][N][C][=C][Ring2][Ring1][Ring2] | C4(=O)n1nc5nc1N.Cc1ccc4cc1.c15ccccc1 |
38275 | CN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(F)cc1 | [C][N][Branch1][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | S4(=O)(=O)c1ccc(F)cc1.C3C2=O.CN34.C15CC1.N25 |
38276 | COC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(O)cc12 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring2][Ring1][C][Ring1][#Branch1] | c14c(C)n5c2ccc(O)cc12.c15ccc(C)cc1.C34=O.CO3 |
38277 | Cc1ccc(C)n1NC(=O)c1ccccc1Br | [C][C][=C][C][=C][Branch1][C][C][N][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] | Cc1ccc(C)n1NC2=O.c12ccccc1Br |
38278 | CC1(C)C2CCC1(CS(=O)(=O)N1CCCc3ccccc31)C(=O)C2 | [C][C][Branch1][C][C][C][C][C][C][Ring1][=Branch1][Branch2][Ring1][#Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=Branch1][C][=O][C][Ring2][Ring1][Branch1] | CC1(C)C2CCC15C(=O)C2.N14CCCc2ccccc21.C5S4(=O)=O |
38279 | CC(=O)c1c(C)nn(CC(O)COc2ccc3ccccc3c2)c1C | [C][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][N][Branch2][Ring1][=Branch1][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=Ring2][Ring1][Branch1][C] | c15ccc2ccccc2c1.c16c(C)nn7c1C.C7C(O)C4.CC6=O.O45 |
38280 | CC(Sc1ccccn1)C(=O)Nc1ccc(Cl)cc1 | [C][C][Branch1][#Branch2][S][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c14ccc(Cl)cc1.c15ccccn1.CC3C2=O.S35.N24 |
38281 | COc1ccccc1CNC(=O)c1cnn2c(C(F)F)cc(C)nc12 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][=N][N][C][Branch1][=Branch1][C][Branch1][C][F][F][=C][C][Branch1][C][C][=N][C][=Ring1][=N][Ring1][#Branch2] | c16cnn2c7cc(C)nc12.c14ccccc18.C36=O.C7(F)F.CO4.C58.N35 |
38282 | CN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(F)cc1 | [C][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][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.N12CCOCC1.C3C2=O.CN34 |
38283 | CCOC(=O)N1CCN(C(=O)CSc2ccc(C)cc2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][Ring1][P] | N14CCN5CC1.c18ccc(C)cc1.C5(=O)C7.C34=O.CC6.O36.S78 |
38284 | Cc1cc(C)n(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1 | [C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][=C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][#C][N][=Ring2][Ring1][#Branch1] | c15ccc(S4(=O)=O)cc1.Cc1cc(C)n(C5=O)n1.N14CCCCC1 |
38285 | Cc1cc(=O)oc2c(C)c(OCC(=O)N(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][N][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=C] | Cc1cc(=O)oc2c(C)c5ccc12.C4C3=O.N3(C)C.O45 |
38287 | O=C(Oc1ccc(OC(=O)N2CCOCC2)cc1)c1ccccc1 | [O][=C][Branch2][Ring1][=Branch2][O][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccc7cc1.N15CCOCC1.c18ccccc1.O=C38.C45=O.O36.O47 |
38288 | COc1ccc(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)c(C)c1 | [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][Branch1][C][C][=C][Ring2][Ring1][#Branch1] | c17nc2nc(C)cc8n2n1.c15ccc6c(C)c1.C47=O.C8(F)F.CO5.N46 |
38289 | Cc1cc(C(F)F)n2ncc(C(=O)N3CCc4ccccc4C3)c2n1 | [C][C][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][N][N][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=C][Ring1][P][N][=Ring2][Ring1][Branch2] | Cc1cc7n2ncc6c2n1.N15CCc2ccccc2C1.C7(F)F.C56=O |
38290 | CSc1nc(-c2ccc(Cl)cc2)nn1C(C)=O | [C][S][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][Ring1][N][C][Branch1][C][C][=O] | c13nc4nn1C(C)=O.c14ccc(Cl)cc1.CS3 |
38291 | Cc1cc(C(F)F)n2nc(C(=O)Nc3cc(C)on3)nc2n1 | [C][C][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][N][N][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][N][=C][Ring1][=C][N][=Ring2][Ring1][Branch1] | Cc1cc7n2nc6nc2n1.c15cc(C)on1.C7(F)F.C46=O.N45 |
38292 | CN(C)S(=O)(=O)CC12CCC(CC1=O)C2(C)C | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][C][C][Branch1][=Branch1][C][C][Ring1][=Branch1][=O][C][Ring1][Branch2][Branch1][C][C][C] | C124CCC(CC1=O)C2(C)C.S3(=O)(=O)C4.CN3C |
38293 | Cc1nnc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)s1 | [C][C][=N][N][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O][S][Ring2][Ring1][Branch1] | N16C(=O)c2ccccc2S1(=O)=O.Cc1nnc5s1.C4(=O)C6.N45 |
38294 | COc1ccc(Cl)cc1NC(=O)Cn1c(=O)oc2ccccc21 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] | n16c(=O)oc2ccccc21.c14ccc(Cl)cc15.C3(=O)C6.CO4.N35 |
38295 | COc1ccc(CNc2ccccc2O)cc1OC | [C][O][C][=C][C][=C][Branch1][N][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Ring1][#C][O][C] | c13ccc7cc14.c16ccccc1O.CO3.C57.N56.O4C |
38296 | COC(=O)c1cccc(NC(=O)C2(c3ccccc3)CCOCC2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][C][Ring1][N][=C][Ring2][Ring1][Branch1] | c18cccc6c1.C179CCOCC1.c19ccccc1.C48=O.C57=O.CO4.N56 |
38297 | CCOC(=O)c1ccc(NC(=O)CC2COc3ccccc3O2)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] | C19COc2ccccc2O1.c18ccc7cc1.C5(=O)C9.C48=O.CC6.O46.N57 |
38298 | Cc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)c(C)c1C | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][C][Branch1][C][C][=C][Ring2][Ring1][Ring1][C] | Cc1ccc(S3(=O)=O)c(C)c1C.N13CCC4CC1.C4(N)=O |
38299 | CC(C)(C)OC(=O)CN1C(=O)c2ccccc2S1(=O)=O | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][#Branch2][=Branch1][C][=O][=O] | N15C(=O)c2ccccc2S1(=O)=O.CC4(C)C.C3(=O)C5.O34 |
38300 | O=C(COc1ccc2ccc(=O)oc2c1)NC1CC1 | [O][=C][Branch2][Ring1][Ring2][C][O][C][=C][C][=C][C][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O][N][C][C][C][Ring1][Ring1] | c15ccc2ccc(=O)oc2c1.O=C3C4.C16CC1.O45.N36 |
38302 | CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)C2CCCO2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][=C] | S5(=O)(=O)c1ccc6cc1.C17CCCO1.CC4(C)C.C37=O.N45.N36 |
38303 | O=C(CCS(=O)(=O)c1ccc2ccccc2c1)Nc1ccccc1 | [O][=C][Branch2][Ring1][Branch2][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C3CCS(=O)(=O)c1ccc2ccccc2c1.c14ccccc1.N34 |
38304 | O=C(Nc1nnc(Cc2ccccc2)s1)c1cccc(F)c1 | [O][=C][Branch2][Ring1][Ring2][N][C][=N][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | c15cccc(F)c1.c14nnc6s1.c17ccccc1.O=C35.N34.C67 |
38305 | CC12CCC(C(=O)Nc3c(Cl)cccc3Cl)(OC1=O)C2(C)C | [C][C][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][Branch1][=Branch1][O][C][Ring1][P][=O][C][Ring2][Ring1][Ring1][Branch1][C][C][C] | CC12CCC6(OC1=O)C2(C)C.c15c(Cl)cccc1Cl.C46=O.N45 |
38306 | CCOC(=O)c1ccc(-n2ncc(C(=O)OCC)c2N)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][N][N][=C][C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][=C][Ring1][#Branch2][N][C][=C][Ring1][P] | c17ccc9cc1.n19ncc8c1N.C37=O.C48=O.CC5.O35.O46.C6C |
38307 | CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N] | S5(=O)(=O)c1ccc6cc1.C2(=O)C(C)(C)C.N345.CC3.C4C.N26 |
38309 | O=C1OCCC1Sc1nnc(-c2ccc(Br)cc2)o1 | [O][=C][O][C][C][C][Ring1][Branch1][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][O][Ring1][N] | c15ccc(Br)cc1.O=C1OCCC14.c13nnc5o1.S34 |
38310 | COc1ccccc1NC(=O)CCSc1nnc(-c2ccco2)o1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][Ring1][#Branch2] | c14ccccc16.c17nnc8o1.C3(=O)CC5.c18ccco1.CO4.N36.S57 |
38313 | Nc1cc(N)nc(SCC(=O)c2ccc(Br)cc2)n1 | [N][C][=C][C][Branch1][C][N][=N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][C] | Nc1cc(N)nc5n1.c14ccc(Br)cc1.C3C4=O.S35 |
38314 | COc1ccc(S(=O)(=O)NCc2cccnc2)c(Cl)c1Cl | [C][O][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring2][Ring1][C][Cl] | c13ccc(S5(=O)=O)c(Cl)c1Cl.c16cccnc1.CO3.N45.C46 |
38315 | CC(=O)NC(C)c1nc2ccccc2n1Cc1ccc(C)cc1 | [C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1] | c16nc2ccccc2n15.c17ccc(C)cc1.CC3=O.C46C.N34.C57 |
38316 | COC(=O)Cc1c(C)c2ccc(OCC(=O)NC3CC3)cc2oc1=O | [C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][C][=C][C][=C][Branch1][=N][O][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][Ring1][=C][O][C][Ring2][Ring1][Ring1][=O] | c19c(C)c2ccc7cc2oc1=O.C4(=O)C9.C6C5=O.C18CC1.CO4.O67.N58 |
38317 | CN(Cc1ccccc1)C(=O)C1(c2ccccc2)CCOCC1 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][C][Ring1][N] | C157CCOCC1.c16ccccc1.c17ccccc1.CN34.C35=O.C46 |
38318 | CCn1cnc2cc(NC(=O)c3ccccc3)ccc21 | [C][C][N][C][=N][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][#C][Ring2][Ring1][C] | n17cnc2cc5ccc21.c16ccccc1.C46=O.CC7.N45 |
38319 | COc1ccc(Cl)cc1-c1nc(-c2ccccn2)no1 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O] | c13ccc(Cl)cc15.c15nc4no1.c14ccccn1.CO3 |
38323 | CCCn1c(OC)nc2c1c(=O)n(C)c(=O)n2C | [C][C][C][N][C][Branch1][Ring1][O][C][=N][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C] | n14c3nc2c1c(=O)n(C)c(=O)n2C.CCC4.O3C |
38324 | Cc1ccc(NC(=O)C(C)Sc2ccccn2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | Cc1ccc5cc1.c16ccccn1.C3(=O)C4C.N35.S46 |
38325 | Cc1cc(C)nc(SCC(=O)c2ccc3c(c2)OCCO3)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][#Branch1][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][=N][Ring2][Ring1][Branch1] | c15ccc2c(c1)OCCO2.Cc1cc(C)nc6n1.C4C5=O.S46 |
38326 | CCC(Oc1ccccc1)C(=O)Nc1cccc(NC(C)=O)c1 | [C][C][C][Branch1][#Branch2][O][C][=C][C][=C][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] | c16cccc7c1.CCC4C2=O.c15ccccc1.C3(C)=O.O45.N26.N37 |
38327 | COc1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][C][C][Ring1][=N][=O][C][=C][Ring2][Ring1][Ring2] | c15ccc8cc1.N18CC7CC1=O.c16nccs1.C47=O.CO5.N46 |
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