ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1924242 | c1cc(-c2ccnc3nc(CCC4CCCC4)nn23)ccn1 | [C][=C][C][Branch2][Ring1][=Branch2][C][=C][C][=N][C][=N][C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][Branch1][=N][N][Ring1][S][Ring1][N][=C][C][=N][Ring2][Ring1][=Branch1] | c17ccnc2nc5nn12.c1cc7ccn1.C16CCCC1.C5C6 |
1924243 | Cc1cc(-c2nn3c(-c4ccsc4)nnc3s2)on1 | [C][C][C][=C][Branch2][Ring1][=Branch1][C][=N][N][C][Branch1][Branch2][C][C][=C][S][C][=Ring1][Branch1][=N][N][=C][Ring1][#Branch2][S][Ring1][=N][O][N][=Ring2][Ring1][C] | c15nn2c6nnc2s1.Cc1cc5on1.c16ccsc1 |
1924244 | O=C(Cn1ccc2ccccc21)NCCc1nnc2ccccn12 | [O][=C][Branch1][#C][C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][C][C][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1] | n15ccc2ccccc21.c16nnc2ccccn12.O=C3C5.C4C6.N34 |
1924246 | COc1cc2c(cc1OC)CC(=O)N(CC(=O)OC(C)C)C=C2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][C][=Branch1][C][=O][N][Branch1][N][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring1] | c15cc2c(cc16)CC(=O)N7C=C2.C7C3=O.C4(C)C.CO5.O6C.O34 |
1924247 | COc1cn(CC(=O)NCCC2=CCCCC2)c(C)cc1=O | [C][O][C][=C][N][Branch1][P][C][C][=Branch1][C][=O][N][C][C][C][=C][C][C][C][C][Ring1][=Branch1][C][Branch1][C][C][=C][C][Ring2][Ring1][Ring1][=O] | c14cn6c(C)cc1=O.C5CC1=CCCCC1.C6C3=O.CO4.N35 |
1924248 | Cc1n[nH]c(C)c1CCC(=O)Nc1cccc2ncccc12 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c14cccc2ncccc12.Cc1n[nH]c(C)c15.C5CC3=O.N34 |
1924249 | CC(C)c1n[nH]c(NC(=O)c2cccc3c2ccn3C(C)C)n1 | [C][C][Branch1][C][C][C][=N][NH1][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][Ring1][Branch1][C][Branch1][C][C][C][=N][Ring2][Ring1][Ring2] | c16cccc2c1ccn27.c18n[nH]c5n1.CC8C.C46=O.C7(C)C.N45 |
1924250 | CC(C)n1cc(CCC(=O)Nc2nc(C3CC3)n[nH]2)c2ccccc21 | [C][C][Branch1][C][C][N][C][=C][Branch2][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][NH1][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] | n16cc7c2ccccc21.c15nc8n[nH]1.C7CC4=O.CC6C.C18CC1.N45 |
1924251 | O=C(N=c1[nH]cc[nH]1)C1CC(=O)N(c2n[nH]c3ccccc23)C1 | [O][=C][Branch1][=Branch2][N][=C][NH1][C][=C][NH1][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][=C][C][=N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][#C] | c15n[nH]c2ccccc12.O=C4N=c1[nH]cc[nH]1.C14CC(=O)N5C1 |
1924252 | COc1ccc(CC(=O)NCCCc2nnc3ccccn23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C][C][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | c17nnc2ccccn12.c15ccc8cc1.C8C4=O.C6CC7.CO5.N46 |
1924253 | Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2cccc3[nH]ccc23)n[nH]1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][=N][NH1][Ring1][P] | c15cccc2[nH]ccc12.Cc1nn(C)c(C)c17.c17cc6n[nH]1.C46=O.N45 |
1924254 | Cc1nc2ncccc2c(=O)n1CCNC(=O)COc1ccccc1 | [C][C][=N][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nc2ncccc2c(=O)n17.c15ccccc1.C3(=O)C4.C7C6.N36.O45 |
1924255 | Cc1cc(-c2nnc3sc(-c4ccco4)nn23)n(C)n1 | [C][C][C][=C][Branch2][Ring1][=Branch1][C][=N][N][=C][S][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring1][=N][Ring1][#Branch2][N][Branch1][C][C][N][=Ring2][Ring1][Ring1] | c15nnc2sc6nn12.Cc1cc5n(C)n1.c16ccco1 |
1924256 | O=C(Nc1nc(CCc2c[nH]c3ccccc23)n[nH]1)c1ccccn1 | [O][=C][Branch2][Ring1][#Branch2][N][C][=N][C][Branch1][S][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=N][NH1][Ring1][S][C][=C][C][=C][C][=N][Ring1][=Branch1] | c18c[nH]c2ccccc12.c15nc7n[nH]1.c16ccccn1.O=C46.C7C8.N45 |
1924257 | CC(C(=O)Nc1cnn(C)c1)c1ccc(CC2CCCC2=O)cc1 | [C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=C][C][=C][Branch1][#Branch2][C][C][C][C][C][C][Ring1][Branch1][=O][C][=C][Ring1][=N] | c16ccc7cc1.c14cnn(C)c1.C15CCCC1=O.CC6C3=O.N34.C57 |
1924258 | Cc1cn2c(=O)c(C(=O)Nc3nnc(C)s3)cnc2s1 | [C][C][=C][N][C][=Branch1][C][=O][C][Branch1][S][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][=C][N][=C][Ring1][S][S][Ring2][Ring1][Ring1] | Cc1cn2c(=O)c6cnc2s1.c15nnc(C)s1.C46=O.N45 |
1924259 | Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)Nc1nc(C2CC2)n[nH]1 | [C][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][N][C][=Branch1][C][=O][N][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][NH1][Ring1][Branch2] | Cn1nc7cc15.c17ccc(Cl)cc1.c14nc6n[nH]1.C35=O.C16CC1.N34 |
1924260 | Cc1nc(C(=O)N=c2[nH]cc[nH]2)c(-c2ccccc2Cl)s1 | [C][C][=N][C][Branch1][=N][C][=Branch1][C][=O][N][=C][NH1][C][=C][NH1][Ring1][Branch1][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][S][Ring2][Ring1][Ring2] | C3(=O)N=c1[nH]cc[nH]1.Cc1nc3c4s1.c14ccccc1Cl |
1924261 | O=C(CCc1c[nH]c2ccccc12)Nc1nc(C2CC2)n[nH]1 | [O][=C][Branch1][S][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][NH1][Ring1][Branch2] | c15c[nH]c2ccccc12.c14nc6n[nH]1.O=C3CC5.C16CC1.N34 |
1924262 | O=C(Nc1cccc2[nH]ccc12)c1csc(-n2cccc2)n1 | [O][=C][Branch1][#C][N][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][S][C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][=N][Ring1][#Branch2] | c14cccc2[nH]ccc12.c15csc6n1.n16cccc1.O=C35.N34 |
1924263 | Cc1cc(C)nc(NCCCC(=O)Nc2ccc3cc[nH]c3c2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][#Branch1][N][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][=N][Ring2][Ring1][#Branch1] | c17ccc2cc[nH]c2c1.Cc1cc(C)nc6n1.C5CCC4=O.N56.N47 |
1924264 | CCCn1cc(-c2nnc3sc(-c4cnccn4)nn23)c(C)n1 | [C][C][C][N][C][=C][Branch2][Ring1][#Branch1][C][=N][N][=C][S][C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][=N][N][Ring1][=C][Ring1][O][C][Branch1][C][C][=N][Ring2][Ring1][Ring2] | c17nnc2sc6nn12.n15cc7c(C)n1.c16cnccn1.CCC5 |
1924265 | Cc1noc(C)c1-c1nn2c(-c3cnn(C)c3)nnc2s1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=N][N][C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=N][N][=C][Ring1][O][S][Ring1][=C] | c14nn2c5nnc2s1.Cc1noc(C)c14.c15cnn(C)c1 |
1924266 | Cc1cc(-c2nn3c(C4CCC4)nnc3s2)on1 | [C][C][C][=C][Branch2][Ring1][Branch1][C][=N][N][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][=N][N][=C][Ring1][=Branch2][S][Ring1][N][O][N][=Ring1][P] | c15nn2c6nnc2s1.Cc1cc5on1.C16CCC1 |
1924268 | Cc1nnsc1-c1nnc2sc(-c3cc(CC(C)C)n[nH]3)nn12 | [C][C][N][=N][S][C][=Ring1][Branch1][C][=N][N][=C][S][C][Branch1][S][C][=C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][=N][NH1][Ring1][=Branch2][=N][N][Ring1][P][Ring1][=C] | c15nnc2sc6nn12.Cc1nnsc15.c16cc4n[nH]1.C4C(C)C |
1924269 | COC(=O)CC(c1ccc(-c2ccccc2)o1)c1c(O)n[nH]c1C | [C][O][C][=Branch1][C][=O][C][C][Branch2][Ring1][C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][C][Branch1][C][O][=N][NH1][C][=Ring1][=Branch1][C] | c15c(O)n[nH]c1C.C3(=O)CC45.c14ccc6o1.c16ccccc1.CO3 |
1924270 | COc1ccc(C(=O)CNC(=O)C2CC(=O)N(CC(C)C)C2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Ring1][#Branch2][C][=C][Ring2][Ring1][=Branch1] | c14ccc7cc1.C16CC(=O)N8C1.C7(=O)C5.C8C(C)C.C36=O.CO4.N35 |
1924271 | Cc1nn(C)c(C)c1CNC(=O)CC1(n2cccc2)CCCCC1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][C][C][C][C][C][Ring1][O] | Cc1nn(C)c(C)c16.C157CCCCC1.n17cccc1.C3(=O)C5.C46.N34 |
1924272 | O=C(CCCn1nnc2ccccc2c1=O)Nc1nc(C2CC2)n[nH]1 | [O][=C][Branch2][Ring1][Ring1][C][C][C][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][N][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][NH1][Ring1][Branch2] | n15nnc2ccccc2c1=O.O=C3CCC5.c14nc6n[nH]1.C16CC1.N34 |
1924273 | COc1ccc(-c2nnc3sc(-c4cc(C)no4)nn23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=N][N][=C][S][C][Branch1][O][C][=C][C][Branch1][C][C][=N][O][Ring1][=Branch1][=N][N][Ring1][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2] | c17nnc2sc6nn12.c15ccc7cc1.c16cc(C)no1.CO5 |
1924274 | O=C(CC1(n2cccc2)CCCCC1)Nc1nccs1 | [O][=C][Branch2][Ring1][Ring1][C][C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][C][C][C][C][C][Ring1][O][N][C][=N][C][=C][S][Ring1][Branch1] | C156CCCCC1.n16cccc1.c14nccs1.O=C3C5.N34 |
1924276 | Cc1noc(C)c1-c1nn2c(-c3cnn(C)c3C)nnc2s1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=N][N][C][Branch1][N][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=N][N][=C][Ring1][N][S][Ring1][#C] | c14nn2c5nnc2s1.Cc1noc(C)c14.c15cnn(C)c1C |
1924277 | Cc1cc(C)nc(SCc2ccc(C(=O)N=c3[nH]cc[nH]3)o2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][Branch2][S][C][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][=C][NH1][C][=C][NH1][Ring1][Branch1][O][Ring1][=N][=N][Ring2][Ring1][=Branch1] | Cc1cc(C)nc7n1.C5(=O)N=c1[nH]cc[nH]1.c16ccc5o1.S47.C46 |
1924278 | COC(=O)CC(c1cn[nH]c1-c1ccccc1)c1c(O)n[nH]c1C | [C][O][C][=Branch1][C][=O][C][C][Branch1][S][C][C][=N][NH1][C][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][O][=N][NH1][C][=Ring1][=Branch1][C] | c14c(O)n[nH]c1C.C2(=O)CC34.c13cn[nH]c15.c15ccccc1.CO2 |
1924279 | COc1ccc(NC(=O)CCc2nnc3ccccn3c2=O)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][=Branch1] | c17nnc2ccccn2c1=O.c15ccc6cc1.C4(=O)CC7.CO5.N46 |
1924280 | COc1ccc2cc(NC(=O)CCNc3ncccn3)cnc2c1 | [C][O][C][=C][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][C][C][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=N][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] | c15ccc2cc8cnc2c1.c17ncccn1.C4(=O)CC6.CO5.N48.N67 |
1924281 | Cc1nc2ccc(F)cc2c(=O)n1CC(=O)Nc1cnn(C)c1 | [C][C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][N][C][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1] | Cc1nc2ccc(F)cc2c(=O)n15.c14cnn(C)c1.C5C3=O.N34 |
1924282 | CC(C)n1ccc2c(C(=O)NCc3cccnc3)cccc21 | [C][C][Branch1][C][C][N][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Ring1][S][Ring2][Ring1][Ring1] | n17ccc2c6cccc21.c18cccnc1.CC7C.C46=O.N45.C58 |
1924283 | CC(C)n1ccc2c(C(=O)NCCN3CCOCC3)cccc21 | [C][C][Branch1][C][C][N][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][Ring1][P][Ring2][Ring1][Ring2] | n18ccc2c7cccc21.N16CCOCC1.CC8C.C47=O.C5C6.N45 |
1924284 | O=C(CC(Cn1cccc1)c1ccc(Cl)cc1)N1CCOCC1 | [O][=C][Branch2][Ring1][Branch2][C][C][Branch1][=Branch2][C][N][C][=C][C][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][O][C][C][Ring1][=Branch1] | O=C2CC4C3.c14ccc(Cl)cc1.N12CCOCC1.n13cccc1 |
1924285 | Cn1ccc2c(NC(=O)Cc3ccc(-n4cnnn4)cc3)cccc21 | [C][N][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O][C][=C][C][=C][Ring2][Ring1][Branch1][Ring2][Ring1][Branch2] | Cn1ccc2c6cccc21.c17ccc8cc1.n18cnnn1.C5(=O)C7.N56 |
1924286 | O=C(Nc1n[nH]c(C2CCCO2)n1)c1cc(-c2ccccc2)[nH]n1 | [O][=C][Branch2][Ring1][C][N][C][=N][NH1][C][Branch1][Branch2][C][C][C][C][O][Ring1][Branch1][=N][Ring1][#Branch2][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][N][=Ring1][O] | c14n[nH]c6n1.c15cc7[nH]n1.c17ccccc1.C16CCCO1.O=C35.N34 |
1924287 | CC(C)Cc1n[nH]c(NC(=O)c2nn(C)c3ccccc23)n1 | [C][C][Branch1][C][C][C][C][=N][NH1][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=N][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring2][Ring1][C] | c16nn(C)c2ccccc12.c17n[nH]c5n1.CC(C)C7.C46=O.N45 |
1924288 | O=C(CCn1ccc2ccccc21)Nc1cccc2[nH]ccc12 | [O][=C][Branch1][S][C][C][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1] | n15ccc2ccccc21.c14cccc2[nH]ccc12.O=C3CC5.N34 |
1924289 | O=C(Cc1c[nH]c2ccccc12)Nc1nc(CCC2CCCC2)n[nH]1 | [O][=C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=N][C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][Branch1][=N][NH1][Ring1][N] | c17c[nH]c2ccccc12.c14nc5n[nH]1.C16CCCC1.O=C3C7.C5C6.N34 |
1924290 | CC(C)Cc1n[nH]c(NC(=O)CCNc2ncccn2)n1 | [C][C][Branch1][C][C][C][C][=N][NH1][C][Branch1][P][N][C][=Branch1][C][=O][C][C][N][C][=N][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][P] | c17n[nH]c5n1.c16ncccn1.C3(=O)CC4.CC(C)C7.N35.N46 |
1924291 | O=c1c2cc(F)ccc2ncn1CCNS(=O)(=O)c1ccccc1 | [O][=C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][=C][N][Ring1][O][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=c1c2cc(F)ccc2ncn15.S4(=O)(=O)c1ccccc1.C5C3.N34 |
1924292 | COc1cc(CCC(=O)Nc2c(C)nn(C)c2C)on1 | [C][O][C][C][=C][Branch2][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C][O][N][=Ring2][Ring1][C] | c15c(C)nn(C)c1C.c14cc6on1.C6CC3=O.CO4.N35 |
1924293 | Cc1nc2ccc(F)cc2c(=O)n1CC(=O)NCCc1ccco1 | [C][C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Ring1][N][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][O][Ring1][Branch1] | Cc1nc2ccc(F)cc2c(=O)n15.c16ccco1.C5C3=O.C4C6.N34 |
1924294 | CC(C)c1n[nH]c(NC(=O)CCNc2ncccn2)n1 | [C][C][Branch1][C][C][C][=N][NH1][C][Branch1][P][N][C][=Branch1][C][=O][C][C][N][C][=N][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][P] | c17n[nH]c5n1.c16ncccn1.C3(=O)CC4.CC7C.N35.N46 |
1924295 | Cn1cc(C(=O)Nc2ccccc2O)c2ccccc2c1=O | [C][N][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=O] | Cn1cc5c2ccccc2c1=O.c14ccccc1O.C35=O.N34 |
1924296 | CCn1cc(NC(=O)Cn2c(C)nc3ccc(F)cc3c2=O)c(C)n1 | [C][C][N][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][N][=O][C][Branch1][C][C][=N][Ring2][Ring1][#Branch1] | n17c(C)nc2ccc(F)cc2c1=O.n16cc5c(C)n1.C4(=O)C7.CC6.N45 |
1924297 | O=C(CC1(n2cccc2)CCCCC1)N=c1[nH]cc[nH]1 | [O][=C][Branch2][Ring1][Ring1][C][C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][C][C][C][C][C][Ring1][O][N][=C][NH1][C][=C][NH1][Ring1][Branch1] | O=C(C3)N=c1[nH]cc[nH]1.C134CCCCC1.n14cccc1 |
1924298 | Cc1cc(-c2nn3c(-c4ccccc4)nnc3s2)on1 | [C][C][C][=C][Branch2][Ring1][#Branch1][C][=N][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][O][S][Ring1][=C][O][N][=Ring2][Ring1][Ring1] | c15nn2c6nnc2s1.Cc1cc5on1.c16ccccc1 |
1924299 | CC(C)n1ccc2c(C(=O)Nc3ccc4c(c3)ncn4C)cccc21 | [C][C][Branch1][C][C][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][N][Ring1][=Branch1][C][C][=C][C][=C][Ring2][Ring1][Ring1][Ring2][Ring1][=Branch1] | n18ccc2c7cccc21.c16ccc2c(c1)ncn2C.CC8C.C57=O.N56 |
1924300 | COC(=O)CC(c1oc(C)cc(=O)c1O)C1CCCCC1 | [C][O][C][=Branch1][C][=O][C][C][Branch1][S][C][O][C][Branch1][C][C][=C][C][=Branch1][C][=O][C][=Ring1][Branch2][O][C][C][C][C][C][C][Ring1][=Branch1] | c13oc(C)cc(=O)c1O.C2(=O)CC34.C14CCCCC1.CO2 |
1924301 | Cn1c(C(=O)Nc2cccc3[nH]ccc23)cc2cc(F)ccc21 | [C][N][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][=C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][=Branch1] | Cn1c6cc2cc(F)ccc21.c15cccc2[nH]ccc12.C46=O.N45 |
1924302 | Cc1cc(C)nc(NCCC(=O)Nc2ccc(C(F)(F)F)nc2)n1 | [C][C][=C][C][Branch1][C][C][=N][C][Branch2][Ring1][O][N][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#Branch2][=N][Ring2][Ring1][#Branch1] | Cc1cc(C)nc5n1.c16ccc7nc1.C4CC3=O.C7(F)(F)F.N45.N36 |
1924303 | O=C(c1cc(-c2ccco2)[nH]n1)N1CCc2ccccc2C1 | [O][=C][Branch1][P][C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][NH1][N][=Ring1][#Branch2][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N13CCc2ccccc2C1.c14cc5[nH]n1.c15ccco1.O=C34 |
1924304 | Cc1csc(NC(=O)CC2(n3cccc3)CCCCC2)n1 | [C][C][=C][S][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][C][C][C][C][C][Ring1][O][=N][Ring2][Ring1][Ring2] | C167CCCCC1.Cc1csc5n1.n17cccc1.C4(=O)C6.N45 |
1924305 | Cc1nc(C(=O)Nc2nccs2)c(Cc2ccccc2)s1 | [C][C][=N][C][Branch1][=N][C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][Ring2] | Cc1nc5c6s1.c17ccccc1.c14nccs1.C35=O.N34.C67 |
1924306 | CC(C(=O)Nc1n[nH]c2ccccc12)N1Cc2ccccc2C1=O | [C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=O] | N15Cc2ccccc2C1=O.c14n[nH]c2ccccc12.CC5C3=O.N34 |
1924307 | c1ccc(-c2ccnc3nc(CCC4CCCC4)nn23)nc1 | [C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][C][=N][C][=N][C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][Branch1][=N][N][Ring1][S][Ring1][N][N][=C][Ring2][Ring1][=Branch1] | c17ccnc2nc5nn12.c1ccc7nc1.C16CCCC1.C5C6 |
1924308 | CC(C)n1ccc2ccc(C(=O)Nc3ccn(C)n3)cc21 | [C][C][Branch1][C][C][N][C][=C][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][=C][N][Branch1][C][C][N][=Ring1][=Branch1][C][=C][Ring1][#C][Ring2][Ring1][C] | n17ccc2ccc6cc21.c15ccn(C)n1.CC7C.C46=O.N45 |
1924309 | Cc1nn(C)cc1-c1nn2c(-c3c(Cl)cnn3C)nnc2s1 | [C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][=N][N][C][Branch1][N][C][=C][Branch1][C][Cl][C][=N][N][Ring1][=Branch1][C][=N][N][=C][Ring1][N][S][Ring1][#C] | c15nn2c4nnc2s1.Cc1nn(C)cc15.c14c(Cl)cnn1C |
1924310 | Cc1n[nH]c(SCc2noc(CCC(=O)Nc3ccccc3)n2)n1 | [C][C][=N][NH1][C][Branch2][Ring1][O][S][C][C][=N][O][C][Branch1][S][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][S][=N][Ring2][Ring1][#Branch1] | Cc1n[nH]c9n1.c17noc8n1.c16ccccc1.C8CC4=O.S59.C57.N46 |
1924311 | CC(O)C1N=C2c3ccccc3S(=O)(=O)N2C1=O | [C][C][Branch1][C][O][C][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Ring1][O][C][Ring1][=C][=O] | C14N=C2c3ccccc3S(=O)(=O)N2C1=O.CC4O |
1924312 | O=C(CSc1cn[nH]n1)NCc1ccc(F)cc1 | [O][=C][Branch1][#Branch2][C][S][C][C][=N][NH1][N][=Ring1][Branch1][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c15ccc(F)cc1.c16cn[nH]n1.O=C2C4.S46.N23.C35 |
1924313 | O=C(CSc1cn[nH]n1)NCc1ccccc1Cl | [O][=C][Branch1][#Branch2][C][S][C][C][=N][NH1][N][=Ring1][Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c15ccccc1Cl.c16cn[nH]n1.O=C2C4.S46.N23.C35 |
1924314 | CC(=O)n1c(SCC(=O)c2cc(C)on2)nc2ccccc21 | [C][C][=Branch1][C][=O][N][C][Branch1][P][S][C][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] | CC(=O)n1c5nc2ccccc21.c14cc(C)on1.C3C4=O.S35 |
1924315 | CC(C)(C)OC(=O)N1CCN(Cc2c(F)cccc2F)CC1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][C][Ring1][#C] | c17c(F)cccc1F.N14CCN6CC1.CC5(C)C.C34=O.O35.C67 |
1924316 | CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)c(F)c2)CC1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][S][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][C][Ring1][#C] | c17ccc(F)c(F)c1.N14CCN6CC1.CC5(C)C.C34=O.O35.C67 |
1924317 | CC(C)(C)OC(=O)N1CCN(c2ccc3ncccc3c2N)CC1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][N][C][C][Ring1][P] | c17ccc2ncccc2c1N.N15CCN7CC1.CC6(C)C.C45=O.O46 |
1924318 | NC(=O)C1(c2ccc(Cl)c(Cl)c2)CCCC1 | [N][C][=Branch1][C][=O][C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][C][C][Ring1][=N] | c14ccc(Cl)c(Cl)c1.C134CCCC1.NC3=O |
1924319 | CC(C)(C)OC(=O)N1CCc2cc(Br)cnc21 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][C][Br][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2] | N14CCc2cc(Br)cnc21.CC5(C)C.C34=O.O35 |
1924321 | COC(=O)c1cc(N)c2c(Cl)cc(Cl)cc2n1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][N][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][C][Ring1][Branch2][=N][Ring1][=N] | c14cc(N)c2c(Cl)cc(Cl)cc2n1.C34=O.CO3 |
1924323 | COc1cccn(CC(=O)NCCc2ccc(Cl)cc2)c1=O | [C][O][C][=C][C][=C][N][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring1][=O] | c14cccn6c1=O.c17ccc(Cl)cc1.C6C3=O.C5C7.CO4.N35 |
1924324 | COc1ccc2c(=O)n(CCn3cnnc3C)ccc2c1OC | [C][O][C][=C][C][=C][C][=Branch1][C][=O][N][Branch1][O][C][C][N][C][=N][N][=C][Ring1][Branch1][C][C][=C][C][Ring1][#C][=C][Ring2][Ring1][Ring1][O][C] | c14ccc2c(=O)n6ccc2c15.n17cnnc1C.C6C7.CO4.O5C |
1924325 | N#Cc1ccc(NC(=O)NCCCN2CCOCC2)cn1 | [N][#C][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=N][Ring2][Ring1][Ring1] | N#Cc1ccc7cn1.N16CCOCC1.C5CC6.C34=O.N37.N45 |
1924326 | CN(CC1COCCO1)C(=O)Cn1cccc(C(F)(F)F)c1=O | [C][N][Branch1][#Branch2][C][C][C][O][C][C][O][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][#Branch2][=O] | n14cccc6c1=O.C15COCCO1.C2(=O)C4.C6(F)(F)F.CN23.C35 |
1924327 | CN(CCCc1cnn(C)c1)C(=O)CN1C(=O)COc2cccnc21 | [C][N][Branch1][=C][C][C][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][O] | C3(=O)CN1C(=O)COc2cccnc21.c15cnn(C)c1.C4CC5.CN34 |
1924328 | CCN(CC)C(=O)C1CC(NC(=O)c2c[nH]c(=O)[nH]2)CN1C | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][C][Branch1][S][N][C][=Branch1][C][=O][C][=C][NH1][C][=Branch1][C][=O][NH1][Ring1][=Branch1][C][N][Ring1][=C][C] | C18CC7CN1C.c19c[nH]c(=O)[nH]1.N356.C38=O.C49=O.CC5.C6C.N47 |
1924329 | Cc1ccc(-c2noc(CNC(=O)C(C)C)n2)nn1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][O][C][Branch1][N][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][=N][Ring1][N][N][=N][Ring2][Ring1][C] | Cc1ccc6nn1.c16noc5n1.C3(=O)C(C)C.C45.N34 |
1924330 | COCCN1CC(CNc2nc3c(s2)c(C)nn3C)CC1=O | [C][O][C][C][N][C][C][Branch2][Ring1][Branch1][C][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][Branch1][C][C][=N][N][Ring1][#Branch1][C][C][C][Ring1][P][=O] | c16nc2c(s1)c(C)nn2C.N17CC8CC1=O.C4C7.CO4.C58.N56 |
1924331 | Cc1nn(C)c(C)c1Nc1nc2c(s1)c(C)nn2C | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][Branch1][C][C][=N][N][Ring1][#Branch1][C] | c13nc2c(s1)c(C)nn2C.Cc1nn(C)c(C)c14.N34 |
1924332 | CN(Cc1cnc2ccccn12)C(=O)C1COc2ccccc2C1 | [C][N][Branch1][#C][C][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | C15COc2ccccc2C1.c16cnc2ccccn12.CN34.C35=O.C46 |
1924333 | COCCc1nc(CSc2ccncc2)n(C)n1 | [C][O][C][C][C][N][=C][Branch1][O][C][S][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Branch1][C][C][N][=Ring1][=C] | c15nc6n(C)n1.c17ccncc1.C3C5.CO3.C46.S47 |
1924334 | CCc1c(C)nn(CCNC(=O)Nc2cccnc2F)c1C | [C][C][C][C][Branch1][C][C][=N][N][Branch2][Ring1][C][C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][F][C][=Ring2][Ring1][Ring1][C] | c18c(C)nn7c1C.c16cccnc1F.C7C5.C34=O.CC8.N35.N46 |
1924335 | COc1cc(NC(=O)NCCCN2CCOCC2)c2ncccc2c1 | [C][O][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1] | c15cc8c2ncccc2c1.N17CCOCC1.C6CC7.C34=O.CO5.N38.N46 |
1924336 | CCCOCCNc1nc2c(c(=O)[nH]1)Cc1ccccc1OC2 | [C][C][C][O][C][C][N][C][=N][C][=C][Branch1][Branch2][C][=Branch1][C][=O][NH1][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=C] | c16nc2c(c(=O)[nH]1)Cc1ccccc1OC2.CCC3.C4C5.O34.N56 |
1924337 | CC1CN(C(=O)Cn2ncc(N3CCCC3)cc2=O)CCCO1 | [C][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][N][N][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][C][Ring1][O][=O][C][C][C][O][Ring2][Ring1][=Branch1] | CC1CN4CCCO1.n16ncc5cc1=O.N15CCCC1.C4(=O)C6 |
1924338 | Cc1nc(C)n(CCCNC(=O)C2CCOc3ccccc3C2)n1 | [C][C][N][=C][Branch1][C][C][N][Branch2][Ring1][Branch2][C][C][C][N][C][=Branch1][C][=O][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][N][=Ring2][Ring1][#Branch1] | C16CCOc2ccccc2C1.Cc1nc(C)n7n1.C7CC5.C46=O.N45 |
1924339 | COCCn1cnnc1CNC(=O)C1COc2ccccc2C1 | [C][O][C][C][N][C][=N][N][=C][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | C16COc2ccccc2C1.n17cnnc18.C4C7.C36=O.CO4.C58.N35 |
1924340 | Cc1ccc2c(NC(=O)NCCCn3nc(C)nc3C)cccc2n1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C][C][N][N][=C][Branch1][C][C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][Ring2][Ring1][Ring2][=N][Ring2][Ring1][Branch2] | Cc1ccc2c7cccc2n1.n18nc(C)nc1C.C6CC8.C45=O.N47.N56 |
1924342 | Cc1cc(CN(C)C(=O)CN2CCOC2=O)n(C)n1 | [C][C][C][=C][Branch2][Ring1][Ring1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][C][O][C][Ring1][Branch1][=O][N][Branch1][C][C][N][=Ring2][Ring1][C] | Cc1cc6n(C)n1.N15CCOC1=O.C3(=O)C5.N34C.C46 |
1924343 | O=C1CCCCCN1CC(=O)N1CCCC(OCc2ccccc2)C1 | [O][=C][C][C][C][C][C][N][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C] | O=C1CCCCCN16.N13CCCC5C1.c17ccccc1.C6C3=O.O45.C47 |
1924344 | O=C(CN1C(=O)OCC1c1ccccc1)N1CCCCC1 | [O][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][C][Ring1][=Branch1] | N13C(=O)OCC14.c14ccccc1.N12CCCCC1.O=C2C3 |
1924345 | COCCCn1cnnc1CNC(=O)C1COc2ccccc2C1 | [C][O][C][C][C][N][C][=N][N][=C][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | C16COc2ccccc2C1.n17cnnc18.C4CC7.C36=O.CO4.C58.N35 |
1924346 | O=C1CCc2ccccc2N1CC(=O)N1CCCC1c1nccs1 | [O][=C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=N][C][=C][S][Ring1][Branch1] | O=C1CCc2ccccc2N1CC3=O.N13CCCC14.c14nccs1 |
1924347 | Cc1ccc(-c2noc(-c3n[nH]c4c3CN(C)CC4)n2)nn1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=N][O][C][Branch1][P][C][=N][NH1][C][=C][Ring1][Branch1][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=N][Ring1][#C][N][=N][Ring2][Ring1][Branch1] | c16n[nH]c2c1CN(C)CC2.Cc1ccc5nn1.c15noc6n1 |
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