ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1934399 | Cn1cnnc1CCC(=O)NC(c1cccnc1)C(F)(F)F | [C][N][C][=N][N][=C][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | Cn1cnnc14.C35C(F)(F)F.c15cccnc1.C4CC2=O.N23 |
1934401 | CC(C)n1nnnc1-c1ccc(NCC(=O)NC2CC2)cc1F | [C][C][Branch1][C][C][N][N][=N][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][=N][N][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][Ring1][=C][F] | c18ccc5cc1F.n17nnnc18.C4C3=O.CC7C.C16CC1.N45.N36 |
1934402 | CC(C)n1nnnc1-c1ccc(NCc2cncs2)cc1F | [C][C][Branch1][C][C][N][N][=N][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][#Branch2][N][C][C][=C][N][=C][S][Ring1][Branch1][C][=C][Ring1][=N][F] | c17ccc4cc1F.n15nnnc17.c16cncs1.CC5C.N34.C36 |
1934403 | CC(NCC(=O)NC1(c2ccccc2)CCC1)c1ccncc1 | [C][C][Branch2][Ring1][Branch2][N][C][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][#Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1] | c18ccccc1.c17ccncc1.C168CCC1.C5C3=O.CC47.N45.N36 |
1934404 | O=C(NCc1ccc(N2CCOC2=O)cc1)c1cc2ccccc2o1 | [O][=C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][Ring1][Branch1][=O][C][=C][Ring1][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] | c15cc2ccccc2o1.c16ccc7cc1.N17CCOC1=O.O=C35.N34.C46 |
1934405 | CC(=O)c1cc(C(=O)Nc2cccc(-c3ncn(C)n3)c2)n(C)c1 | [C][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][O][C][N][=C][N][Branch1][C][C][N][=Ring1][=Branch1][=C][Ring1][N][N][Branch1][C][C][C][=Ring2][Ring1][Branch1] | c17cc6n(C)c1.c15cccc8c1.c18ncn(C)n1.CC7=O.C46=O.N45 |
1934406 | CC(c1ccccc1)N(C)C(=O)C1CCCN(CC(F)(F)F)C1 | [C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][O] | C15CCCN4C1.c16ccccc1.C4C(F)(F)F.CC36.N23C.C25=O |
1934407 | CCN(Cc1cccc(F)c1)C(=O)C1CCCN(CC(F)(F)F)C1 | [C][C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][C][C][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][O] | c17cccc(F)c1.C16CCCN5C1.C5C(F)(F)F.N234.C26=O.CC3.C47 |
1934408 | Cc1ccc(CN(CCO)C(=O)CC2CCCCO2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][O][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | Cc1ccc7cc1.C16CCCCO1.C3(=O)C6.N345.C5CO.C47 |
1934409 | Cc1cc(C(=O)NC2CCC(CO)CC2)cc(=O)[nH]1 | [C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][Ring1][C][O][C][C][Ring1][Branch2][=C][C][=Branch1][C][=O][NH1][Ring2][Ring1][C] | Cc1cc5cc(=O)[nH]1.C14CCC6CC1.C35=O.N34.C6O |
1934410 | Cn1cc(C2CN(Cc3cc(Cl)cc4c3OCC4)CCO2)cn1 | [C][N][C][=C][Branch2][Ring1][=N][C][C][N][Branch2][Ring1][C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][Ring1][Branch1][C][C][O][Ring1][P][C][=N][Ring2][Ring1][=Branch1] | c16cc(Cl)cc2c1OCC2.C17CN5CCO1.Cn1cc7cn1.C56 |
1934411 | CCNC(=O)N1CCC(Nc2cccc(-c3ncon3)c2)CC1 | [C][C][N][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][Branch1][Branch2][C][N][=C][O][N][=Ring1][Branch1][=C][Ring1][O][C][C][Ring2][Ring1][C] | N15CCC8CC1.c17cccc9c1.c19ncon1.C45=O.CC6.N46.N78 |
1934412 | COc1ccc(-n2ccc(C(=O)N3CCC(O)CC3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=C][C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][=N][Ring1][=C][C][=C][Ring2][Ring1][Ring2] | c15ccc7cc1.N14CCC(O)CC1.n17ccc6n1.C46=O.CO5 |
1934413 | Cc1ccn(C)c(=O)c1NC(=O)c1cnc(OCC2CC2)c(Cl)c1 | [C][C][C][=C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][Branch1][C][Cl][=C][Ring1][N] | Cc1ccn(C)c(=O)c16.c17cnc5c(Cl)c1.C37=O.C18CC1.N36.O45.C48 |
1934414 | Cc1nncn1-c1cccc(NC(=O)c2ccccc2-n2ccnn2)c1 | [C][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][N][=N][Ring1][Branch1][=C][Ring2][Ring1][Ring2] | c16cccc4c1.c15ccccc17.Cc1nncn16.n17ccnn1.C35=O.N34 |
1934415 | O=C(Nc1cccc(COC2CCCCC2)c1)N1CCC(O)C1 | [O][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][O][C][O][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][=C][N][C][C][C][Branch1][C][O][C][Ring1][=Branch1] | c17cccc8c1.C16CCCCC1.N14CCC(O)C1.O=C34.N37.C58.O56 |
1934416 | Cc1ccc(-c2nc3cc(F)ccc3c(=O)[nH]2)cc1S(N)(=O)=O | [C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][Ring1][N][C][=C][Ring2][Ring1][C][S][Branch1][C][N][=Branch1][C][=O][=O] | c14nc2cc(F)ccc2c(=O)[nH]1.Cc1ccc4cc1S(N)(=O)=O |
1934417 | COCCOc1ccc(-c2nc3cc(F)ccc3c(=O)[nH]2)cc1F | [C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][Ring1][N][C][=C][Ring2][Ring1][C][F] | c17nc2cc(F)ccc2c(=O)[nH]1.c16ccc7cc1F.C4C5.CO4.O56 |
1934418 | NS(=O)(=O)Cc1cccc(-c2nc3cc(F)ccc3c(=O)[nH]2)c1 | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][NH1][Ring1][N][=C][Ring2][Ring1][C] | c15nc2cc(F)ccc2c(=O)[nH]1.c14cccc5c1.NS(=O)(=O)C4 |
1934419 | CCCCCN1CC(=O)NC1c1ncc(C(C)C)s1 | [C][C][C][C][C][N][C][C][=Branch1][C][=O][N][C][Ring1][=Branch1][C][=N][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][S][Ring1][Branch2] | N12CC(=O)NC14.c14ncc3s1.CCCCC2.C3(C)C |
1934421 | CCOc1cccc(Cn2cc(Cl)c(=O)[nH]c2=O)n1 | [C][C][O][C][=C][C][=C][C][Branch1][P][C][N][C][=C][Branch1][C][Cl][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][=N][Ring1][S] | n15cc(Cl)c(=O)[nH]c1=O.c14cccc6n1.CC3.O34.C56 |
1934422 | Cc1cc2c(=O)n(Cc3noc(C4CC4)n3)cnc2cc1F | [C][C][=C][C][C][=Branch1][C][=O][N][Branch1][S][C][C][=N][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring1][Branch2][C][=N][C][=Ring1][S][C][=C][Ring2][Ring1][Ring2][F] | Cc1cc2c(=O)n5cnc2cc1F.c16noc7n1.C17CC1.C56 |
1934423 | Cc1nn(C(C)(C)C)c(=O)n1Cc1coc(-c2c(F)cccc2F)n1 | [C][C][=N][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][=C][O][C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=N][Ring1][=N] | Cc1nn3c(=O)n14.c16c(F)cccc1F.c15coc6n1.C3(C)(C)C.C45 |
1934424 | CN(C(=O)CCc1cc(F)ccc1Br)c1cnn(C)c1 | [C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Br][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1] | c14cc(F)ccc1Br.c13cnn(C)c1.C2(=O)CC4.CN23 |
1934425 | COc1ccc(C(=O)NCc2ccccn2)cc1OC1CCCC1 | [C][O][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][S][O][C][C][C][C][C][Ring1][Branch1] | c15ccc8cc16.c19ccccn1.C14CCCC1.C38=O.CO5.N37.C79.O46 |
1934426 | COCC(O)CNc1nc(-c2ccccc2Cl)cs1 | [C][O][C][C][Branch1][C][O][C][N][C][=N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][S][Ring1][N] | c16ccccc1Cl.c15nc6cs1.C3C(O)C4.CO3.N45 |
1934427 | Cc1cc(N2CCOCC2C(N)=O)nc(C(C)C)n1 | [C][C][=C][C][Branch1][=C][N][C][C][O][C][C][Ring1][=Branch1][C][Branch1][C][N][=O][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring2][Ring1][C] | Cc1cc3nc5n1.N13CCOCC14.C4(N)=O.C5(C)C |
1934428 | CC(C(N)=O)N(C)Cc1ccc(Br)c2cccnc12 | [C][C][Branch1][=Branch1][C][Branch1][C][N][=O][N][Branch1][C][C][C][C][=C][C][=C][Branch1][C][Br][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1] | c15ccc(Br)c2cccnc12.CC3C(N)=O.N34C.C45 |
1934429 | Cc1ncccc1C(=O)NCCCc1nc(-c2ccc(F)cc2)no1 | [C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][O][Ring1][N] | Cc1ncccc15.c17ccc(F)cc1.c16nc7no1.C4CC6.C35=O.N34 |
1934430 | CCc1nc(CC(=O)Nc2ccnc(C)c2)cs1 | [C][C][C][=N][C][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=N][C][Branch1][C][C][=C][Ring1][#Branch1][=C][S][Ring1][S] | c14ccnc(C)c1.c15nc6cs1.C6C3=O.CC5.N34 |
1934431 | COc1ccc(-n2ccc(C(=O)Nc3ccnc(C)c3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=N][C][Branch1][C][C][=C][Ring1][#Branch1][=N][Ring1][#C][C][=C][Ring2][Ring1][Branch1] | c15ccc8cc1.c16ccnc(C)c1.n18ccc7n1.C47=O.CO5.N46 |
1934432 | CC(C#N)N1CCN(C(C)c2ccc(F)cc2F)CC1 | [C][C][Branch1][Ring1][C][#N][N][C][C][N][Branch1][P][C][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][C][Ring1][S] | c15ccc(F)cc1F.N13CCN4CC1.CC3C#N.C45C |
1934433 | CC(C#N)N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 | [C][C][Branch1][Ring1][C][#N][N][C][C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][NH1][Ring1][=Branch2][C][C][Ring1][#C] | N13CCC5CC1.c15nc4c[nH]1.CC3C#N.C4(F)(F)F |
1934434 | CC(=O)N(C)CC(=O)Nc1nc(Cc2ccccc2)cs1 | [C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][N] | c16nc7cs1.c18ccccc1.C5C4=O.CC3=O.N35C.N46.C78 |
1934436 | Cc1cnc(C(=O)N2CCNC(=O)C2c2ccccc2Cl)cn1 | [C][C][=C][N][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=N][Ring2][Ring1][=Branch1] | N13CCNC(=O)C15.Cc1cnc4cn1.c15ccccc1Cl.C34=O |
1934437 | O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1cc2ccccc2o1 | [O][=C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][NH1][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] | c16ccc2[nH]c(=O)[nH]c2c1.c15cc2ccccc2o1.O=C35.N34.C46 |
1934438 | CCCc1ccc(NC(=O)Cn2c(C)c(C)sc2=O)cc1 | [C][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][Branch1][C][C][S][C][Ring1][#Branch1][=O][C][=C][Ring2][Ring1][C] | n15c(C)c(C)sc1=O.c16ccc4cc1.C3(=O)C5.CCC6.N34 |
1934439 | CC(C)(C)OC(=O)N1CCC(CNC(=O)C#Cc2ccccc2)C1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][P][C][N][C][=Branch1][C][=O][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P] | C5(=O)C#Cc1ccccc1.N14CCC8C1.CC6(C)C.C34=O.O36.C78.N57 |
1934440 | CC1(CNC(=O)C2CC=CC2)CCN(C(=O)OC(C)(C)C)CC1 | [C][C][Branch1][=C][C][N][C][=Branch1][C][=O][C][C][C][=C][C][Ring1][Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring2][Ring1][=Branch1] | CC19CCN5CC1.C18CC=CC1.C6(C)(C)C.C48=O.C35=O.C79.N47.O36 |
1934441 | Cc1cc(C(=O)NC2CCCN(c3cccnc3)C2=O)no1 | [C][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C][N][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][N][=O][=N][O][Ring2][Ring1][Branch1] | C15CCCN7C1=O.Cc1cc6no1.c17cccnc1.C46=O.N45 |
1934442 | O=C(Nc1nc(-c2ccncc2)ns1)C1CCOC1 | [O][=C][Branch2][Ring1][Ring1][N][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][S][Ring1][O][C][C][C][O][C][Ring1][Branch1] | c14nc6ns1.c16ccncc1.C15CCOC1.O=C35.N34 |
1934443 | O=C(NC1CCCN(c2cccnc2)C1=O)c1ccon1 | [O][=C][Branch2][Ring1][Branch1][N][C][C][C][C][N][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][N][=O][C][C][=C][O][N][=Ring1][Branch1] | C14CCCN6C1=O.c16cccnc1.c15ccon1.O=C35.N34 |
1934444 | Cc1n[nH]c(C)c1C(C)C(=O)N1CCc2cc(F)ccc2C1C | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][Ring1][O][C] | N13CCc2cc(F)ccc2C1C.Cc1n[nH]c(C)c14.C4(C)C3=O |
1934445 | CC1(C2CCCN(C(=O)c3cc(-c4ccco4)on3)C2)OCCO1 | [C][C][Branch2][Ring1][P][C][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][O][N][=Ring1][#Branch2][C][Ring2][Ring1][C][O][C][C][O][Ring2][Ring1][#Branch1] | C17CCCN5C1.CC17OCCO1.c16cc8on1.c18ccco1.C56=O |
1934446 | Cc1ocnc1CNC(=O)CCc1cc(F)ccc1Br | [C][C][O][C][=N][C][=Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Br] | c15cc(F)ccc1Br.Cc1ocnc14.C2(=O)CC5.C34.N23 |
1934447 | Cc1n[nH]c(C)c1C(C)C(=O)NCc1ccccc1OC(C)(C)C | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C] | Cc1n[nH]c(C)c16.c17ccccc14.C6(C)C2=O.C3(C)(C)C.N25.C57.O34 |
1934448 | Cc1n[nH]c(C)c1C(C)C(=O)NCCc1nc2ccccc2n1C | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C] | c15nc2ccccc2n1C.Cc1n[nH]c(C)c16.C6(C)C3=O.C4C5.N34 |
1934449 | COC(=O)C(NC(=O)C(C)c1c(C)n[nH]c1C)c1ccccc1F | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c16c(C)n[nH]c1C.c15ccccc1F.C2(=O)C45.C3(=O)C6C.CO2.N34 |
1934450 | NC(=O)C1CCCCN1C(=O)c1ccc(OCC2CC2)cc1 | [N][C][=Branch1][C][=O][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][=C][Ring1][O] | C16CCCCN13.c17ccc5cc1.NC6=O.C37=O.C18CC1.O45.C48 |
1934451 | Cc1ncccc1C(=O)N1CCCC(C2(C)OCCO2)C1 | [C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch1][O][C][Branch1][C][C][O][C][C][O][Ring1][=Branch1][C][Ring1][N] | Cc1ncccc14.N13CCCC5C1.C15(C)OCCO1.C34=O |
1934453 | COc1ccc(-n2ccc(C(=O)N3CCCCC3C(N)=O)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][N][N][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][Branch1][C][N][=O][=N][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | c15ccc8cc1.N14CCCCC16.n18ccc7n1.C47=O.C6(N)=O.CO5 |
1934454 | O=c1n(CCOc2ccccc2F)nc2cnccn12 | [O][=C][N][Branch1][=N][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][=C][C][=N][C][=C][N][Ring2][Ring1][Ring1][Ring1][=Branch1] | O=c1n5nc2cnccn12.c14ccccc1F.C5C3.O34 |
1934455 | CC(C)OCCCC(=O)N1CCCCC1C1CNC(=O)C1 | [C][C][Branch1][C][C][O][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C][Ring1][=Branch1] | N12CCCCC15.C4CCC2=O.C15CNC(=O)C1.CC3C.O34 |
1934456 | Cc1n[nH]c(C)c1C(C)C(=O)Nc1ccc2[nH]c(C3CCC3)nc2c1 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][NH1][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][=N][C][Ring1][=Branch2][=C][Ring1][=N] | c15ccc2[nH]c7nc2c1.Cc1n[nH]c(C)c16.C6(C)C4=O.C17CCC1.N45 |
1934457 | O=C(NCCCc1nnc2ccccn12)c1ccccc1-n1ccnn1 | [O][=C][Branch2][Ring1][C][N][C][C][C][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][N][=N][Ring1][Branch1] | c16nnc2ccccn12.c15ccccc17.n17ccnn1.C4CC6.O=C35.N34 |
1934459 | CC(=O)c1ccc(F)cc1NC(=O)c1c(C)c(C)nn(C)c1=O | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][Ring1][=Branch2][=O] | c15c(C)c(C)nn(C)c1=O.c14ccc(F)cc13.CC4=O.C25=O.N23 |
1934460 | CC(C)(C)c1noc(C2(NC(=O)C3CCC(=O)N3)CCCCC2)n1 | [C][C][Branch1][C][C][Branch1][C][C][C][=N][O][C][Branch2][Ring1][#Branch2][C][Branch1][S][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][C][C][C][Ring1][#C][=N][Ring2][Ring1][Ring2] | C158CCCCC1.c17noc8n1.C16CCC(=O)N1.CC7(C)C.C46=O.N45 |
1934461 | Cc1ccc(NC(=O)NCCc2ccccn2)nc1 | [C][C][=C][C][=C][Branch1][P][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=C][Ring2][Ring1][C] | Cc1ccc6nc1.c17ccccn1.C34=O.C5C7.N36.N45 |
1934462 | Cc1ccc(NC(=O)N2CCN(C(=O)C(C)(C)C)CC2)nc1 | [C][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][N][N][=C][Ring2][Ring1][Branch1] | Cc1ccc6nc1.N14CCN5CC1.C5(=O)C(C)(C)C.C34=O.N36 |
1934463 | Cc1ccc(NC(=O)NCC(O)c2ccsc2)nc1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][C][=C][S][C][=Ring1][Branch1][N][=C][Ring2][Ring1][C] | Cc1ccc6nc1.c17ccsc1.C5C7O.C34=O.N36.N45 |
1934464 | Cc1ccc(NC(=O)NC2C3CCOC3C23CCCC3)nc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][C][C][O][C][Ring1][Branch1][C][Ring1][#Branch1][C][C][C][C][Ring1][Branch1][N][=C][Ring2][Ring1][Branch1] | C17C2CCOC2C12CCCC2.Cc1ccc6nc1.C45=O.N46.N57 |
1934465 | Cc1ccc(NC(=O)N2CCN(CCOC(C)C)CC2)nc1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][C][O][C][Branch1][C][C][C][C][C][Ring1][N][N][=C][Ring2][Ring1][Branch1] | Cc1ccc8nc1.N14CCN7CC1.C34=O.C7C5.C6(C)C.N38.O56 |
1934466 | CC(CO)NC(=O)Nc1nc(Cc2ccccc2)cs1 | [C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][N][C][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][N] | c16nc7cs1.c18ccccc1.CC5CO.C34=O.N35.N46.C78 |
1934467 | CC(CO)N(C)C(=O)Nc1nc(Cc2ccccc2)cs1 | [C][C][Branch1][Ring1][C][O][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][N] | c16nc7cs1.c18ccccc1.CC5CO.N35C.C34=O.N46.C78 |
1934469 | Cn1cc(CNC(=O)Nc2nc(Cc3ccccc3)cs2)cn1 | [C][N][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][N][C][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][N][C][=N][Ring2][Ring1][=Branch1] | Cn1cc9cn1.c17nc8cs1.c1%10ccccc1.C45=O.C69.N46.N57.C8%10 |
1934470 | Cc1nc(-c2ccccc2)sc1NC(=O)NCc1cnn(C)c1 | [C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Ring1][O][N][C][=Branch1][C][=O][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1] | Cc1nc8sc16.c18ccccc1.c17cnn(C)c1.C34=O.N36.N45.C57 |
1934471 | COCc1nsc(NC(=O)c2cccc3cc[nH]c23)n1 | [C][O][C][C][=N][S][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][C][=C][NH1][C][Ring1][=Branch2][=Ring1][Branch1][=N][Ring1][P] | c17cccc2cc[nH]c12.c18nsc6n1.C47=O.CO5.C58.N46 |
1934472 | COC(=O)C1(CNCc2nc3c(s2)CCC3)CCOCC1 | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][N][C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][Ring1][=Branch1][C][C][O][C][C][Ring1][P] | c18nc2c(s1)CCC2.C179CCOCC1.C47=O.CO4.C59.N56.C68 |
1934473 | COC1CCC2OCCN(Cc3cn(C)nc3C3CCCCC3)C2C1 | [C][O][C][C][C][C][O][C][C][N][Branch2][Ring1][Ring2][C][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][Ring2][Ring1][Ring1][C][Ring2][Ring1][#Branch1] | C14CCC2OCCN5C2C1.c16cn(C)nc17.C17CCCCC1.CO4.C56 |
1934474 | CCn1ccnc(NCC2(c3ccncc3)CCCCC2)c1=O | [C][C][N][C][=C][N][=C][Branch2][Ring1][Branch1][N][C][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][C][C][C][Ring1][N][C][Ring2][Ring1][Ring2][=O] | n16ccnc5c1=O.C178CCCCC1.c18ccncc1.CC6.N45.C47 |
1934475 | CN1CCc2ccc(C(=O)N(CCC(N)=O)c3ccc(F)cc3)cc21 | [C][N][C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1][Ring2][Ring1][Branch2] | CN1CCc2ccc7cc21.c16ccc(F)cc1.C5CC(N)=O.C47=O.N456 |
1934478 | COc1cc(C(=O)N2c3ccccc3SC(C)C2C)on1 | [C][O][C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Branch1][C][C][C][Ring1][O][C][O][N][=Ring2][Ring1][Ring1] | N14c2ccccc2SC(C)C1C.c15cc6on1.C46=O.CO5 |
1934479 | Cc1nc2ncc(C(=O)N3CC(C)CSc4ccccc43)cc2[nH]1 | [C][C][=N][C][=N][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][C][=C][Ring2][Ring1][Ring2][NH1][Ring2][Ring1][#Branch1] | N15CC(C)CSc2ccccc21.Cc1nc2ncc6cc2[nH]1.C56=O |
1934480 | Cc1noc(C2COCCN2CC(=O)Nc2ccccc2)n1 | [C][C][=N][O][C][Branch2][Ring1][#Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1] | C16COCCN14.Cc1noc6n1.c15ccccc1.C4C3=O.N35 |
1934481 | CC(c1ccccc1)N(CC1CC1)C(=O)c1cnc2c(c1)nnn2C | [C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=N][N][Ring1][=Branch1][C] | c16cnc2c(c1)nnn2C.c18ccccc1.CC48.N345.C17CC1.C36=O.C57 |
1934482 | COC(=O)C1(NCc2ccn(-c3ccc(F)cc3)n2)CCC1 | [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch1][N][C][C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=Ring1][N][C][C][C][Ring2][Ring1][C] | c19ccc(F)cc1.c18ccn9n1.C157CCC1.C47=O.CO4.N56.C68 |
1934483 | CCc1nnc(CN2CCOc3nc(C)ccc32)n1C | [C][C][C][=N][N][=C][Branch2][Ring1][Ring1][C][N][C][C][O][C][=N][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][Ring1][O][N][Ring1][P][C] | N14CCOc2nc(C)ccc21.c15nnc6n1C.CC5.C46 |
1934484 | CC(CNC(=O)NC1CCN(c2ccccc2)C1=O)c1nccs1 | [C][C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O][C][=N][C][=C][S][Ring1][Branch1] | C16CCN8C1=O.c18ccccc1.c17nccs1.CC7C5.C34=O.N35.N46 |
1934485 | CC(=O)Nc1cccc(NC(=O)Cn2c(C)c(C)sc2=O)c1C | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][Branch1][C][C][S][C][Ring1][#Branch1][=O][=C][Ring2][Ring1][C][C] | c15cccc6c1C.n17c(C)c(C)sc1=O.C4(=O)C7.CC3=O.N35.N46 |
1934486 | Cn1ncc(N2CCOC(CCc3ccccc3)C2)c(Cl)c1=O | [C][N][N][=C][C][Branch2][Ring1][Branch1][N][C][C][O][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][=C][Branch1][C][Cl][C][Ring2][Ring1][Branch1][=O] | Cn1ncc4c(Cl)c1=O.N14CCOC5C1.c16ccccc1.C5C6 |
1934487 | Cc1nnc(C(C)NC(Cc2ccccc2)c2cccs2)o1 | [C][C][=N][N][=C][Branch2][Ring1][=Branch2][C][Branch1][C][C][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][S][Ring1][Branch1][O][Ring2][Ring1][Branch1] | Cc1nnc5o1.c17ccccc1.c16cccs1.C46C7.C35C.N34 |
1934488 | Cc1nnc(CNC(Cc2ccccc2)c2cccs2)o1 | [C][C][=N][N][=C][Branch2][Ring1][=Branch1][C][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][S][Ring1][Branch1][O][Ring2][Ring1][Ring2] | Cc1nnc5o1.c17ccccc1.c16cccs1.C46C7.C35.N34 |
1934489 | CCc1cnccc1C(=O)N(C)c1cccnc1N1CCCC1 | [C][C][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1] | c16cnccc15.c14cccnc13.N13CCCC1.C25=O.N24C.CC6 |
1934490 | CNC(=O)Cc1ccc(NC(=O)Cn2c(C)c(C)sc2=O)cc1 | [C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][Branch1][C][C][S][C][Ring1][#Branch1][=O][C][=C][Ring2][Ring1][C] | n16c(C)c(C)sc1=O.c17ccc5cc1.C3(=O)C7.C4(=O)C6.CN3.N45 |
1934491 | COCc1noc(CNC(C)c2ccc(C)o2)n1 | [C][O][C][C][=N][O][C][Branch1][P][C][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][=N][Ring1][#C] | c16noc7n1.c18ccc(C)o1.C58C.CO3.C36.C47.N45 |
1934492 | Cc1ccc(C(C)NCc2nc3cc(F)ccc3o2)o1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][C][C][N][C][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][O][Ring2][Ring1][Ring1] | c17nc2cc(F)ccc2o1.Cc1ccc6o1.C46C.N45.C57 |
1934493 | COC(C)c1noc(CNC(C)c2ccc(C)o2)n1 | [C][O][C][Branch1][C][C][C][=N][O][C][Branch1][P][C][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][=N][Ring1][#C] | c16noc7n1.c18ccc(C)o1.C36C.C58C.CO3.C47.N45 |
1934494 | CC(NC(C(N)=O)c1ccc(F)cc1)C1CCCO1 | [C][C][Branch2][Ring1][Branch1][N][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][C][O][Ring1][Branch1] | c15ccc(F)cc1.C35C(N)=O.C14CCCO1.CC24.N23 |
1934495 | CCc1nc(CC(=O)NC2CC3CC2C2CCCC32)cs1 | [C][C][C][=N][C][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][C][C][C][C][Ring1][Branch2][Ring1][Branch1][=C][S][Ring2][Ring1][Ring1] | C15CC2CC1C1CCCC21.c16nc7cs1.C7C4=O.CC6.N45 |
1934496 | Cc1c(C(C)NCc2nnc(C3CC3)o2)oc2ccccc12 | [C][C][=C][Branch2][Ring1][Branch1][C][Branch1][C][C][N][C][C][=N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][Ring1][Branch2][O][C][=C][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][=Branch1] | Cc1c6oc2ccccc12.c17nnc8o1.C46C.C18CC1.N45.C57 |
1934497 | CCC1CCC(NC(=O)CNC(=O)c2ccsc2)CC1 | [C][C][C][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][C][C][Ring2][Ring1][C] | C18CCC6CC1.c17ccsc1.C3(=O)C5.C47=O.CC8.N36.N45 |
1934498 | CCn1cc(Br)c(=O)c(NC(=O)C2CCCO2)c1 | [C][C][N][C][=C][Branch1][C][Br][C][=Branch1][C][=O][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][O][Ring1][Branch1][=C][Ring1][S] | n16cc4c(=O)c(Br)c1.C15CCCO1.C35=O.CC6.N34 |
1934500 | CCn1cc(Br)c(=O)c(NC(=O)C2CCOC2C)c1 | [C][C][N][C][=C][Branch1][C][Br][C][=Branch1][C][=O][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][O][C][Ring1][Branch1][C][=C][Ring1][P] | n16cc4c(=O)c(Br)c1.C15CCOC1C.C35=O.CC6.N34 |
1934501 | CC1CCCN(C(=O)c2cnns2)c2ccccc21 | [C][C][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][N][=N][S][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C] | CC1CCCN3c2ccccc21.c14cnns1.C34=O |
1934502 | O=C(c1cc[nH]n1)N1CCc2c(Br)ccc(F)c2C1 | [O][=C][Branch1][Branch2][C][C][=C][NH1][N][=Ring1][Branch1][N][C][C][C][=C][Branch1][C][Br][C][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][Ring1][N] | N13CCc2c(Br)ccc(F)c2C1.c14cc[nH]n1.O=C34 |
1934503 | CCC1CC(C(=O)Nc2nc(C)nn2C)CCO1 | [C][C][C][C][C][Branch1][P][C][=Branch1][C][=O][N][C][=N][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][C][C][O][Ring1][S] | C16CC5CCO1.c14nc(C)nn1C.C35=O.CC6.N34 |
1934504 | COCc1noc(CNC(C)c2cc3cc(Cl)ccc3o2)n1 | [C][O][C][C][=N][O][C][Branch2][Ring1][#Branch1][C][N][C][Branch1][C][C][C][=C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][=N][Ring2][Ring1][Ring1] | c19cc2cc(Cl)ccc2o1.c17noc8n1.C69C.CO4.C47.C58.N56 |
1934505 | Cc1nc(CNC(C)c2nc(-c3cccc(F)c3)no2)no1 | [C][C][=N][C][Branch2][Ring1][O][C][N][C][Branch1][C][C][C][=N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][O][Ring1][N][=N][O][Ring2][Ring1][Branch1] | c18cccc(F)c1.Cc1nc6no1.c17nc8no1.C57C.C46.N45 |
1934506 | Cn1nnc2cc(C(=O)Nc3cc(C4CCCCCC4)[nH]n3)cnc21 | [C][N][N][=N][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=C][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][#Branch1][NH1][N][=Ring1][N][=C][N][=C][Ring2][Ring1][Branch1][Ring2][Ring1][Branch2] | Cn1nnc2cc7cnc21.C18CCCCCC1.c16cc8[nH]n1.C57=O.N56 |
1934507 | COCc1noc(CNC(C)C2COc3ccccc32)n1 | [C][O][C][C][=N][O][C][Branch2][Ring1][Ring2][C][N][C][Branch1][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=N][Ring2][Ring1][C] | C6(C)C1COc2ccccc21.c17noc8n1.CO4.C47.C58.N56 |
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