ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
34208 | Cc1sc2nc(SCC(=O)OC(C)C)n(C)c(=O)c2c1C | [C][C][S][C][N][=C][Branch1][=N][S][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][S][C][=Ring2][Ring1][Ring1][C] | Cc1sc2nc6n(C)c(=O)c2c1C.C5C3=O.C4(C)C.S56.O34 |
34209 | Cc1cc(=O)oc(C)c1C(=O)NC(C)c1ccccc1 | [C][C][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1cc(=O)oc(C)c14.c15ccccc1.C24=O.C35C.N23 |
34210 | Cn1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)n1 | [C][N][N][=N][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][=N][Ring2][Ring1][Ring2] | c16ccc7cc1.Cn1nnc5n1.c17ccccc1.C46=O.N45 |
34211 | CC(=O)OC1CCC2(C)C(=CCC3C(=O)C(C)CCC32)C1 | [C][C][=Branch1][C][=O][O][C][C][C][C][Branch1][C][C][C][=Branch2][Ring1][Ring1][=C][C][C][C][=Branch1][C][=O][C][Branch1][C][C][C][C][C][Ring1][Branch2][Ring1][=N][C][Ring1][P] | C15CCC2(C)C(=CCC3C(=O)C(C)CCC32)C1.CC4=O.O45 |
34212 | COc1cccc(CSc2nnc(-c3ccccn3)n2N)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring1][O][N][=C][Ring2][Ring1][Ring2] | c14cccc6c1.c17nnc8n1N.c18ccccn1.CO4.C56.S57 |
34213 | CC1CC2=C(CCC3c4ccccc4CCN23)C(=O)O1 | [C][C][C][C][=C][Branch2][Ring1][Ring1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Ring1][=C][Ring1][#Branch2][C][=Branch1][C][=O][O][Ring2][Ring1][Ring1] | CC1CC2=C(CCC3c4ccccc4CCN23)C(=O)O1 |
34214 | COc1ccc(CSc2nnc(-c3ccco3)n2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#Branch2][C][C][=C][Ring2][Ring1][Ring1] | c14ccc6cc1.c17nnc8n1C.c18ccco1.CO4.C56.S57 |
34215 | COC(=O)c1ccccc1NC(=O)c1c(C)cc(=O)oc1C | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][=Ring1][Branch2][C] | c16c(C)cc(=O)oc1C.c15ccccc14.C25=O.C36=O.CO2.N34 |
34216 | C=CCn1c(N)c(C(=O)NCC(C)C)c2nc3ccccc3nc21 | [C][=C][C][N][C][Branch1][C][N][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][Ring2][Ring1][Branch1] | n17c(N)c6c2nc3ccccc3nc21.C5C(C)C.C=CC7.C46=O.N45 |
34217 | CC1OC(=O)C2=C1N1CCc3ccccc3C1CC2 | [C][C][O][C][=Branch1][C][=O][C][=C][Ring1][=Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][C][Ring1][=C] | CC1OC(=O)C2=C1N1CCc3ccccc3C1CC2 |
34218 | Cc1cccc(NC(=O)CSc2nnc(-c3ccccn3)n2C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring1][O][C][=C][Ring2][Ring1][#Branch1] | Cc1cccc6c1.c17nnc8n1C.c18ccccn1.C4(=O)C5.N46.S57 |
34219 | COc1ccccc1Nc1ncnc2c1cnn2C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C] | c14ncnc2c1cnn2C.c13ccccc15.CO3.N45 |
34220 | COc1ccc(-c2nnc3n2N=C(C)CS3)cc1OC | [C][O][C][=C][C][=C][Branch1][P][C][=N][N][=C][N][Ring1][Branch1][N][=C][Branch1][C][C][C][S][Ring1][#Branch1][C][=C][Ring1][S][O][C] | c16nnc2n1N=C(C)CS2.c14ccc6cc15.CO4.O5C |
34221 | O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccc(F)cc1 | [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][Branch1][C][F][C][=C][Ring1][#Branch1] | c14ccc(F)cc1.n15nnc6n1.c16ccccc1.O=C3C5.N34 |
34222 | Cc1ccc(C)c(CSc2nnc(-c3ccco3)n2N)c1 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Ring2][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#Branch2][N][=C][Ring2][Ring1][Ring2] | Cc1ccc(C)c5c1.c16nnc7n1N.c17ccco1.C45.S46 |
34223 | Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2C(C)(C)C)cc1 | [C][C][=C][C][=C][Branch2][Ring2][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch2][=C][N][Ring1][=N][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][#Branch1] | c15c2c(=O)n(C)c(=O)n(C)c2cn14.Cc1ccc5cc1.C4(C)(C)C |
34224 | CCOC(=O)c1cnc(-n2cc(C)cn2)nc1N1CCCC1 | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][O][N][C][=C][Branch1][C][C][C][=N][Ring1][=Branch1][N][=C][Ring1][N][N][C][C][C][C][Ring1][Branch1] | c16cnc7nc15.n17cc(C)cn1.N15CCCC1.C36=O.CC4.O34 |
34225 | Nc1ccc2oc(-c3cncc(Br)c3)nc2c1 | [N][C][=C][C][=C][O][C][Branch1][N][C][=C][N][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=N][C][Ring1][N][=C][Ring1][S] | Nc1ccc2oc4nc2c1.c14cncc(Br)c1 |
34226 | O=c1[nH]c(-c2ccccc2O)cc2c1c(=O)oc1ccccc12 | [O][=C][NH1][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][=C][C][=C][Ring1][=N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | O=c1[nH]c3cc2c1c(=O)oc1ccccc12.c13ccccc1O |
34227 | NC(=O)CSc1nnc(C2CCCCC2)n1N | [N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][Ring1][O][N] | c14nnc5n1N.C15CCCCC1.NC(=O)C3.S34 |
34228 | COc1ccccc1-c1nc2sc(=Cc3ccco3)c(=O)n2n1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][=C][S][C][=Branch1][=Branch2][=C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][N][N][=Ring1][#C] | c15nc2sc(=Cc3ccco3)c(=O)n2n1.c14ccccc15.CO4 |
34229 | C=CCn1c(SCC(=O)c2ccccc2)nnc1-c1cnccn1 | [C][=C][C][N][C][Branch1][#C][S][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][#C][C][=C][N][=C][C][=N][Ring1][=Branch1] | n15c6nnc17.c14ccccc1.c17cnccn1.C3C4=O.C=CC5.S36 |
34233 | CCSc1nc(C)cc(Oc2ccc(=O)n(C)n2)n1 | [C][C][S][C][=N][C][Branch1][C][C][=C][C][Branch1][S][O][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][N][=Ring1][Branch2][=N][Ring1][S] | c16nc3cc(C)n1.c14ccc(=O)n(C)n1.CC5.S56.O34 |
34234 | Cn1c(SCc2ccc(C#N)cc2)nnc1-c1ccccn1 | [C][N][C][Branch1][#C][S][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][N][=C][Ring1][#C][C][=C][C][=C][C][=N][Ring1][=Branch1] | c14ccc(C#N)cc1.Cn1c5nnc16.c16ccccn1.S35.C34 |
34236 | COc1ccc(N2CC(c3nc4ccccc4[nH]3)CC2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch1] | c17nc2ccccc2[nH]1.c15ccc6cc1.N16CC7CC1=O.CO5 |
34237 | Cn1c(SCc2ccccc2F)nnc1-c1ccccn1 | [C][N][C][Branch1][N][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][N][=C][Ring1][=C][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cn1c5nnc16.c14ccccc1F.c16ccccn1.S35.C34 |
34238 | CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N1CCC(C)CC1 | [C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][N][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][N][=C][Ring1][=N][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1] | c16cnc7nc15.n17nc(C)cc1C.N15CCC(C)CC1.C36=O.CC4.O34 |
34239 | Cc1cccc(CSc2nnc(-c3ccccn3)n2C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring1][O][C][=C][Ring2][Ring1][Ring2] | Cc1cccc5c1.c16nnc7n1C.c17ccccn1.C45.S46 |
34240 | CCC(C)Nc1nc(OC)nc(Oc2ccc(=O)n(C)n2)n1 | [C][C][C][Branch1][C][C][N][C][=N][C][Branch1][Ring1][O][C][=N][C][Branch1][S][O][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][N][=Ring1][Branch2][=N][Ring1][P] | c17nc3nc4n1.c15ccc(=O)n(C)n1.CCC6C.N67.O3C.O45 |
34241 | C=CCn1c(SCC(=O)Nc2ccccc2)nnc1C1CC1 | [C][=C][C][N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][S][C][C][C][Ring1][Ring1] | n16c7nnc18.c15ccccc1.C4C3=O.C=CC6.C18CC1.S47.N35 |
34242 | Cc1cc(C)nc(SCC(=O)Nc2ccccn2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring2][Ring1][C] | Cc1cc(C)nc6n1.c15ccccn1.C4C3=O.S46.N35 |
34243 | Cc1ccc(C=c2sc3nc(-c4ccc(F)cc4)nn3c2=O)o1 | [C][C][=C][C][=C][Branch2][Ring1][N][C][=C][S][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][Ring1][N][C][Ring1][#C][=O][O][Ring2][Ring1][=Branch1] | Cc1ccc(C=c2sc3nc5nn3c2=O)o1.c15ccc(F)cc1 |
34244 | COc1ccc(C2CC(c3ccc(C)cc3)n3nc(N)nc3N2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][N][=C][Branch1][C][N][N][=C][Ring1][=Branch1][N][Ring1][P][C][=C][Ring2][Ring1][#Branch1] | C15CC(c2ccc(C)cc2)n2nc(N)nc2N1.c14ccc5cc1.CO4 |
34245 | Fc1ccc(C2=Nn3c(nnc3-c3ccccn3)SC2)cc1 | [F][C][=C][C][=C][Branch2][Ring1][Branch2][C][=N][N][C][=Branch1][=C][=N][N][=C][Ring1][Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1][S][C][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | Fc1ccc(C2=Nn3c4nnc3SC2)cc1.c14ccccn1 |
34247 | Nn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccccc1 | [N][N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1] | Nn1c6nnc17.c15ccc(F)cc1.c17ccccc1.C4C3=O.S46.N35 |
34248 | CCn1c2ccc(F)cc2c2nc3ccccc3nc21 | [C][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][Ring2][Ring1][C] | n14c2ccc(F)cc2c2nc3ccccc3nc21.CC4 |
34250 | COc1ccc2c(c1)[nH]c1c(N3CC(C)OC(C)C3)ncnc12 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][NH1][C][=C][Branch1][#C][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][N][=C][N][=C][Ring1][=C][Ring2][Ring1][C] | c14ccc2c(c1)[nH]c1c5ncnc12.N15CC(C)OC(C)C1.CO4 |
34251 | Cn1c(=O)[nH]c(=O)c2c1nc(N)n2Cc1cccc2ccccc12 | [C][N][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=C][Ring1][Branch2][N][=C][Branch1][C][N][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | Cn1c(=O)[nH]c(=O)c2c1nc(N)n23.c14cccc2ccccc12.C34 |
34253 | c1coc(-c2nn3c(-c4ccco4)nnc3s2)c1 | [C][=C][O][C][Branch2][Ring1][=Branch1][C][=N][N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][=C][Ring1][#Branch2][S][Ring1][=N][=C][Ring2][Ring1][C] | c15nn2c6nnc2s1.c1coc5c1.c16ccco1 |
34254 | Cc1ccc(CSc2nnc(-c3ccccn3)n2N)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring1][O][N][C][=C][Ring2][Ring1][Ring2] | Cc1ccc5cc1.c16nnc7n1N.c17ccccn1.C45.S46 |
34256 | COC(=O)c1[nH]c2ccccc2c1NC(=O)c1c(F)cccc1F | [C][O][C][=Branch1][C][=O][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F] | c16[nH]c2ccccc2c15.c17c(F)cccc1F.C36=O.C47=O.CO3.N45 |
34257 | CCOC(=O)c1cnn(Cc2ccccc2Cl)c1N | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][=N][N] | c15cnn6c1N.c17ccccc1Cl.C35=O.CC4.O34.C67 |
34258 | Cn1c(SCc2ccccc2F)nnc1-c1cccnc1 | [C][N][C][Branch1][N][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][N][=C][Ring1][=C][C][=C][C][=C][N][=C][Ring1][=Branch1] | Cn1c5nnc16.c14ccccc1F.c16cccnc1.S35.C34 |
34259 | CCCn1nnnc1NC(=O)c1ccc2ccccc2c1 | [C][C][C][N][N][=N][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] | c15ccc2ccccc2c1.n16nnnc14.CCC6.C35=O.N34 |
34260 | CCOc1cc2oc(=O)c(CC(=O)OC)c(C)c2cc1Cl | [C][C][O][C][=C][C][O][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][C][=Ring1][=N][C][=C][Ring1][P][Cl] | c15cc2oc(=O)c6c(C)c2cc1Cl.C6C3=O.CC4.O45.O3C |
34262 | COc1cccc(OCc2nc3ccccc3c(=O)n2N)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][O][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][N][=C][Ring2][Ring1][Ring2] | c17nc2ccccc2c(=O)n1N.c15cccc6c1.CO5.O46.C47 |
34263 | Cn1nnc(NC(=O)c2cccc3ccccc23)n1 | [C][N][N][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring2][Ring1][C] | c16cccc2ccccc12.Cn1nnc5n1.C46=O.N45 |
34264 | COc1ccccc1-c1nn2c(-c3ccccn3)nnc2s1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][N][=C][Ring1][O][S][Ring1][=C] | c16nn2c5nnc2s1.c14ccccc16.c15ccccn1.CO4 |
34265 | C=C(C)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1N | [C][=C][Branch1][C][C][C][S][C][=N][N][=C][Branch2][Ring1][Branch1][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][N][Ring1][P][N] | c18cc3c4c5c1.c17nnc8n1N.C=C(C)C6.S67.O3C.O4C.O5C |
34266 | CCn1c(SCC(=O)OC(C)C)nnc1-c1ccccn1 | [C][C][N][C][Branch1][=N][S][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=N][N][=C][Ring1][=N][C][=C][C][=C][C][=N][Ring1][=Branch1] | n15c6nnc17.c17ccccn1.C4C2=O.C3(C)C.CC5.S46.O23 |
34267 | Cn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cnccn1 | [C][N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][N][=C][Ring1][P][C][=C][N][=C][C][=N][Ring1][=Branch1] | Cn1c6nnc17.c15cccc(F)c1.c17cnccn1.C4C3=O.S46.N35 |
34268 | O=C(c1ccccc1)N1CCCC(C(=O)N2CCCCCC2)C1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][C][Ring1][#C] | N13CCCC5C1.N14CCCCCC1.c16ccccc1.O=C36.C45=O |
34270 | Cn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccccn1 | [C][N][C][Branch2][Ring1][C][S][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][N][=C][Ring1][S][C][=C][C][=C][C][=N][Ring1][=Branch1] | Cn1c5nnc16.c14ccc(F)cc1.c16ccccn1.C3C4=O.S35 |
34271 | COc1cccc(N2CC(c3nc4ccccc4[nH]3)CC2=O)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][Ring1][=C][=O][=C][Ring2][Ring1][Branch1] | c17nc2ccccc2[nH]1.c15cccc6c1.N16CC7CC1=O.CO5 |
34272 | Cn1nnc(NC(=O)CSc2ccc(Cl)cc2)n1 | [C][N][N][=N][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][P] | c16ccc(Cl)cc1.Cn1nnc5n1.C3(=O)C4.N35.S46 |
34273 | Cc1ccc(-c2nn(CCC(=O)N(C)C)c(=O)c3ccccc23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][S][C][=N][N][Branch1][N][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch2] | c16nn5c(=O)c2ccccc12.Cc1ccc6cc1.C5CC4=O.N4(C)C |
34274 | Cn1nnc(NC(=O)COc2ccc3ccccc3c2)n1 | [C][N][N][=N][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][Ring2][Ring1][Ring2] | c16ccc2ccccc2c1.Cn1nnc7n1.C4(=O)C5.N47.O56 |
34275 | COc1ccc(-c2nn3c(-c4ccccn4)nnc3s2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][N][=C][Ring1][O][S][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | c17nn2c6nnc2s1.c15ccc7cc1.c16ccccn1.CO5 |
34276 | Cc1ccc(N2CC(c3nc4ccccc4[nH]3)CC2=O)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch1] | c16nc2ccccc2[nH]1.Cc1ccc5cc1.N15CC6CC1=O |
34277 | Cn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccncc1 | [C][N][C][Branch2][Ring1][Ring1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][N][=C][Ring1][P][C][=C][C][=N][C][=C][Ring1][=Branch1] | Cn1c6nnc17.c15cccc(F)c1.c17ccncc1.C4C3=O.S46.N35 |
34279 | c1ccc(OCc2nnc3sc(-c4ccco4)nn23)cc1 | [C][=C][C][=C][Branch2][Ring1][Branch2][O][C][C][=N][N][=C][S][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring1][=N][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1] | c17nnc2sc8nn12.c1ccc6cc1.c18ccco1.O56.C57 |
34280 | Cn1nnc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)n1 | [C][N][N][=N][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][Cl][=N][Ring2][Ring1][Ring1] | c16sc2cc(Cl)ccc2c1Cl.Cn1nnc5n1.C46=O.N45 |
34281 | Oc1cccc(-c2nnc3c4cnn(-c5ccccc5)c4ncn23)c1 | [O][C][=C][C][=C][C][Branch2][Ring1][=C][C][=N][N][=C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][N][=C][N][Ring2][Ring1][C][Ring1][#C][=C][Ring2][Ring1][Branch2] | c17nnc2c3cnn6c3ncn12.Oc1cccc7c1.c16ccccc1 |
34282 | CC1(C)C(=O)C2(CCCCC2)C(=O)OC1c1ccc(O)cc1 | [C][C][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][=C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] | CC1(C)C(=O)C2(CCCCC2)C(=O)OC13.c13ccc(O)cc1 |
34283 | Cc1ccccc1-c1nn2c(-c3ccncc3)nnc2s1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][O][S][Ring1][=C] | c14nn2c5nnc2s1.Cc1ccccc14.c15ccncc1 |
34284 | Cc1cccc2[nH]c3c(N4CCCC4)ncnc3c12 | [C][C][=C][C][=C][C][NH1][C][=C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][N][=C][N][=C][Ring1][O][C][Ring2][Ring1][C][=Ring1][=C] | Cc1cccc2[nH]c3c5ncnc3c12.N15CCCC1 |
34285 | CC1(C)Cc2occc2C(NC(=O)c2ccccc2)C1 | [C][C][Branch1][C][C][C][C][O][C][=C][C][=Ring1][Branch1][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring1] | CC1(C)Cc2occc2C(N3)C1.c14ccccc1.C34=O |
34286 | COc1cc2ccccc2cc1C(=O)Nc1nnn(C)n1 | [C][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][N][=N][N][Branch1][C][C][N][=Ring1][=Branch1] | c14cc2ccccc2cc16.c15nnn(C)n1.C36=O.CO4.N35 |
34290 | CN(Cc1ccccc1)c1nc2c(c(=O)[nH]c(=O)n2C)n1C | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C] | c14nc2c(c(=O)[nH]c(=O)n2C)n1C.c15ccccc1.CN34.C35 |
34291 | COc1ccc(C(=O)Nc2nnn(C)n2)cc1Br | [C][O][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][N][=N][N][Branch1][C][C][N][=Ring1][=Branch1][C][=C][Ring1][#C][Br] | c14ccc6cc1Br.c15nnn(C)n1.C36=O.CO4.N35 |
34292 | CN(CCO)c1nc(-c2ccccc2O)nc2ccccc12 | [C][N][Branch1][Ring2][C][C][O][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][=N][C][=C][C][=C][C][=C][Ring1][P][Ring1][=Branch1] | c14nc5nc2ccccc12.c15ccccc1O.CN34.C3CO |
34293 | CC1(C)CC(=O)c2cnc(NC(=O)c3ccco3)nc2C1 | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][N][=C][Ring1][=C][C][Ring2][Ring1][Ring2] | CC1(C)CC(=O)c2cnc5nc2C1.c16ccco1.C46=O.N45 |
34295 | C=CCn1c(SCC(=O)OC)nnc1-c1ccccn1 | [C][=C][C][N][C][Branch1][=Branch2][S][C][C][=Branch1][C][=O][O][C][=N][N][=C][Ring1][O][C][=C][C][=C][C][=N][Ring1][=Branch1] | n14c5nnc16.c16ccccn1.C3C2=O.C=CC4.S35.O2C |
34296 | CC(C)OC(=O)CSc1nnc(-c2ccccn2)n1N | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring1][O][N] | c16nnc7n1N.c17ccccn1.C3(=O)C5.CC4C.O34.S56 |
34297 | Cn1ncc2c1ncn1nc(-c3ccc(Cl)cc3Cl)nc21 | [C][N][N][=C][C][=C][Ring1][Branch1][N][=C][N][N][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][=C][Ring1][P][Ring1][=N] | Cn1ncc2c1ncn1nc4nc21.c14ccc(Cl)cc1Cl |
34298 | Nn1c(SCc2cccc(Cl)c2)nnc1-c1cccnc1 | [N][N][C][Branch1][=C][S][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=N][N][=C][Ring1][=C][C][=C][C][=C][N][=C][Ring1][=Branch1] | Nn1c5nnc16.c14cccc(Cl)c1.c16cccnc1.S35.C34 |
34299 | Cn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccco1 | [C][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][O][Ring1][Branch1] | c15nc2ccccc2[nH]1.Cn1c6nnc17.c17ccco1.S46.C45 |
34300 | CCn1c(SCc2ccc(C#N)cc2)nnc1-c1cnccn1 | [C][C][N][C][Branch1][#C][S][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][=N][N][=C][Ring1][#C][C][=C][N][=C][C][=N][Ring1][=Branch1] | c15ccc(C#N)cc1.n14c6nnc17.c17cnccn1.CC4.S36.C35 |
34301 | O=c1c2c3c(sc2n2cnnc2n1-c1cccc(Cl)c1)CCC3 | [O][=C][C][C][=C][Branch2][Ring1][#Branch2][S][C][=Ring1][Branch1][N][C][=N][N][=C][Ring1][Branch1][N][Ring1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][C][Ring2][Ring1][Ring2] | O=c1c2c3c(sc2n2cnnc2n14)CCC3.c14cccc(Cl)c1 |
34303 | Cc1ccc2nc(-c3ccccn3)cc(C(=O)N3CCOCC3)c2c1 | [C][C][=C][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2] | Cc1ccc2nc6cc5c2c1.c16ccccn1.N14CCOCC1.C45=O |
34304 | Cc1ccc2nc(-c3cccnc3)cc(C(=O)N3CCOCC3)c2c1 | [C][C][=C][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2] | Cc1ccc2nc6cc5c2c1.c16cccnc1.N14CCOCC1.C45=O |
34305 | COc1ccc(OCC(=O)Nc2nnn(C)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][C][O][C][C][=Branch1][C][=O][N][C][N][=N][N][Branch1][C][C][N][=Ring1][=Branch1][C][=C][Ring1][P] | c15ccc6cc1.c17nnn(C)n1.C4C3=O.CO5.O46.N37 |
34307 | COc1ccc(C(=O)CC2(O)C(=O)Nc3c2ccc(Cl)c3C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][Ring1][#Branch1][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][=C][Ring2][Ring1][=Branch1] | C5(=O)CC1(O)C(=O)Nc2c1ccc(Cl)c2C.c14ccc5cc1.CO4 |
34308 | CSc1nc2ccccc2c(=O)n1OCC(C)C | [C][S][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][O][C][C][Branch1][C][C][C] | c14nc2ccccc2c(=O)n1O3.C3C(C)C.CS4 |
34309 | COc1cc(C)ccc1OCCn1cnc2ccccc21 | [C][O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | n16cnc2ccccc21.c14cc(C)ccc15.C3C6.CO4.O35 |
34310 | COC(=O)c1cccc(NC(=O)c2cccc(C)c2)c1C | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=C][Ring1][S][C] | c16cccc5c1C.c17cccc(C)c1.C36=O.C47=O.CO3.N45 |
34312 | Cc1cccc(C)c1NC(=O)C1C2CC3OC(=O)C1C3C2 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][C][O][C][=Branch1][C][=O][C][Ring1][Branch2][C][Ring1][=Branch1][C][Ring1][=Branch2] | C16C2CC3OC(=O)C1C3C2.Cc1cccc(C)c15.C46=O.N45 |
34313 | CCOc1ccc(NC(=O)C2C3CC4OC(=O)C2C4C3)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][C][C][O][C][=Branch1][C][=O][C][Ring1][Branch2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1] | C19C2CC3OC(=O)C1C3C2.c17ccc8cc1.C59=O.CC6.O67.N58 |
34315 | COc1ccc(Br)cc1C(=O)Nc1cc(C)on1 | [C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1] | c13ccc(Br)cc15.c14cc(C)on1.C25=O.CO3.N24 |
34316 | O=C(CSc1nnc(-c2ccccc2Cl)o1)Nn1cnnc1 | [O][=C][Branch2][Ring1][Branch1][C][S][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][Ring1][N][N][N][C][=N][N][=C][Ring1][Branch1] | O=C(C3)Nn1cnnc1.c15ccccc1Cl.c14nnc5o1.S34 |
34318 | N#Cc1ccccc1OCCn1cnc2ccccc21 | [N][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | n15cnc2ccccc21.N#Cc1ccccc14.C3C5.O34 |
34319 | CCC(C)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 | [C][C][C][Branch1][C][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][=C][Ring1][=C] | c15ccc6cc1.CCC(C)C3=O.c17ccco1.C47=O.N35.N46 |
34322 | Cn1c(SCc2cccc(F)c2)nnc1-c1cccnc1 | [C][N][C][Branch1][=C][S][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][N][=C][Ring1][=C][C][=C][C][=C][N][=C][Ring1][=Branch1] | Cn1c5nnc16.c14cccc(F)c1.c16cccnc1.S35.C34 |
34323 | Cc1nn2cnc3cc(-c4ccccc4)nn3c2nc1=O | [C][C][=N][N][C][=N][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][Ring1][O][C][Ring1][#C][=N][C][Ring2][Ring1][Ring1][=O] | Cc1nn2cnc3cc5nn3c2nc1=O.c15ccccc1 |
34324 | O=C(Nc1ccc(Br)cc1)C1C2CC3OC(=O)C1C3C2 | [O][=C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][C][C][O][C][=Branch1][C][=O][C][Ring1][Branch2][C][Ring1][=Branch1][C][Ring1][=Branch2] | C16C2CC3OC(=O)C1C3C2.c15ccc(Br)cc1.O=C46.N45 |
34325 | COc1ccc(Cl)cc1NC(=O)C1C2CC3OC(=O)C1C3C2 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][C][O][C][=Branch1][C][=O][C][Ring1][Branch2][C][Ring1][=Branch1][C][Ring1][=Branch2] | C17C2CC3OC(=O)C1C3C2.c15ccc(Cl)cc16.C47=O.CO5.N46 |
34327 | Cc1cc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)no1 | [C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][Ring1][N][=N][O][Ring2][Ring1][Ring2] | c19ccc7cc1.Cc1cc6no1.C49=O.C58=O.C18CC1.N46.N57 |
34329 | COc1cc(C)c(Cl)cc1S(=O)(=O)N(C)C | [C][O][C][=C][C][Branch1][C][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C] | c12cc(C)c(Cl)cc1S3(=O)=O.N3(C)C.CO2 |
34330 | COc1ccc(OC)c(NC(=O)CNC(=O)c2cccs2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][=C][Ring2][Ring1][Ring2] | c15ccc6c8c1.c19cccs1.C3(=O)C7.C49=O.CO5.O6C.N38.N47 |
34331 | CSc1nsc(SCC(=O)N2CCc3ccccc32)n1 | [C][S][C][=N][S][C][Branch2][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=N][Ring2][Ring1][C] | N14CCc2ccccc21.c16nsc7n1.C5C4=O.CS6.S57 |
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