ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1931391 | Cc1ncoc1-c1nnc2ccc(Br)cn12 | [C][C][N][=C][O][C][=Ring1][Branch1][C][=N][N][=C][C][=C][C][Branch1][C][Br][=C][N][Ring1][#Branch2][Ring1][#Branch1] | c13nnc2ccc(Br)cn12.Cc1ncoc13 |
1931392 | Cc1ncc(-c2nnc3ccc(Br)cn23)o1 | [C][C][=N][C][=C][Branch1][P][C][=N][N][=C][C][=C][C][Branch1][C][Br][=C][N][Ring1][#Branch2][Ring1][#Branch1][O][Ring1][#C] | c14nnc2ccc(Br)cn12.Cc1ncc4o1 |
1931393 | Nc1nonc1-c1c[nH]c2c(Br)cccc12 | [N][C][=N][O][N][=C][Ring1][Branch1][C][=C][NH1][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1] | c13c[nH]c2c(Br)cccc12.Nc1nonc13 |
1931394 | Nc1nonc1-c1c[nH]c2cccc(Br)c12 | [N][C][=N][O][N][=C][Ring1][Branch1][C][=C][NH1][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch2][Ring1][#Branch1] | c13c[nH]c2cccc(Br)c12.Nc1nonc13 |
1931396 | Cc1coc(-c2noc3cccc(Br)c23)n1 | [C][C][=C][O][C][Branch1][P][C][=N][O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch2][Ring1][#Branch1][=N][Ring1][#C] | c14noc2cccc(Br)c12.Cc1coc4n1 |
1931397 | Cc1cnc(-c2noc3cccc(Br)c23)o1 | [C][C][=C][N][=C][Branch1][P][C][=N][O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch2][Ring1][#Branch1][O][Ring1][#C] | c14noc2cccc(Br)c12.Cc1cnc4o1 |
1931398 | C=CCn1c(SCc2cc(C)no2)nnc1-c1ccncc1 | [C][=C][C][N][C][Branch1][=N][S][C][C][=C][C][Branch1][C][C][=N][O][Ring1][=Branch1][=N][N][=C][Ring1][=N][C][=C][C][=N][C][=C][Ring1][=Branch1] | n14c6nnc17.c15cc(C)no1.c17ccncc1.C=CC4.S36.C35 |
1931399 | Cc1ncc(C)c(-c2cn(Cc3ccccc3)cc2N)n1 | [C][C][=N][C][=C][Branch1][C][C][C][Branch2][Ring1][Ring2][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][N][=N][Ring2][Ring1][Ring2] | Cc1ncc(C)c6n1.c16cn4cc1N.c15ccccc1.C45 |
1931402 | Brc1ccccc1C1NCCc2n[nH]cc21 | [Br][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][=N][NH1][C][=C][Ring1][Branch1][Ring1][=Branch2] | Brc1ccccc1C1NCCc2n[nH]cc21 |
1931403 | Brc1cccc(C2CCc3cn[nH]c3N2)c1 | [Br][C][=C][C][=C][C][Branch1][=C][C][C][C][C][C][=N][NH1][C][=Ring1][Branch1][N][Ring1][=Branch2][=C][Ring1][#C] | C14CCc2cn[nH]c2N1.Brc1cccc4c1 |
1931404 | Cc1nc(C2Cc3cccc(Br)c3C2)co1 | [C][C][=N][C][Branch1][P][C][C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][Ring1][#Branch2][=C][O][Ring1][#C] | C14Cc2cccc(Br)c2C1.Cc1nc4co1 |
1931406 | COc1ccc(CN(C)C(=O)CNC(C)c2ccccc2Cl)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][=Branch1] | c14ccc8cc1.c19ccccc1Cl.C3(=O)C6.N35C.C79C.CO4.C58.N67 |
1931407 | Cn1ccc(-c2nnc3ccc(Br)cn23)n1 | [C][N][C][=C][C][Branch1][P][C][=N][N][=C][C][=C][C][Branch1][C][Br][=C][N][Ring1][#Branch2][Ring1][#Branch1][=N][Ring1][#C] | c14nnc2ccc(Br)cn12.Cn1ccc4n1 |
1931408 | CN(Cc1ccco1)C(=O)CNc1cc(Cl)ccc1F | [C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][C][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][F] | c15cc(Cl)ccc1F.c16ccco1.C2(=O)C4.CN23.C36.N45 |
1931409 | COc1ccccc1CN(C)C(=O)CNC(C)c1ccccc1Cl | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] | c13ccccc17.c18ccccc1Cl.C2(=O)C5.N24C.C68C.CO3.C47.N56 |
1931410 | COc1ccccc1CN(C)C(=O)CNC(C)c1ccc(Cl)cc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][Branch1][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] | c13ccccc17.c18ccc(Cl)cc1.C2(=O)C5.N24C.C68C.CO3.C47.N56 |
1931411 | Cc1cc(-c2coc3cccc(Br)c23)no1 | [C][C][=C][C][Branch1][P][C][=C][O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch2][Ring1][#Branch1][=N][O][Ring1][#C] | c14coc2cccc(Br)c12.Cc1cc4no1 |
1931412 | CCCN(Cc1nnc(C)o1)Cc1nnc(-c2ccccc2Cl)o1 | [C][C][C][N][Branch1][N][C][C][=N][N][=C][Branch1][C][C][O][Ring1][=Branch1][C][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][Ring1][N] | c18ccccc1Cl.c16nnc(C)o1.c17nnc8o1.CCC3.N345.C46.C57 |
1931413 | Cc1ccc(CN(C)C(=O)CNc2cc(Cl)ccc2F)o1 | [C][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][F][O][Ring2][Ring1][Ring2] | c16cc(Cl)ccc1F.Cc1ccc7o1.C3(=O)C5.N34C.C47.N56 |
1931414 | Brc1ccc(-c2[nH]cc3c2CNCC3)cc1 | [Br][C][=C][C][=C][Branch1][=C][C][NH1][C][=C][C][=Ring1][Branch1][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][#C] | c14[nH]cc2c1CNCC2.Brc1ccc4cc1 |
1931415 | O=c1[nH]c(=O)n2c(c1Br)SCCCC2 | [O][=C][NH1][C][=Branch1][C][=O][N][C][=Branch1][Branch1][=C][Ring1][#Branch1][Br][S][C][C][C][C][Ring1][=Branch2] | O=c1[nH]c(=O)n2c(c1Br)SCCCC2 |
1931416 | Nc1nnc2c(n1)-c1cc(Br)ccc1CC2 | [N][C][=N][N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][C][C][Ring1][N] | Nc1nnc2c(n1)-c1cc(Br)ccc1CC2 |
1931417 | CC(C)(C)OC(=O)N1Cc2cc3c(cc2C1)OCCN3 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][O][C][C][N][Ring1][=Branch2] | N15Cc2cc3c(cc2C1)OCCN3.CC6(C)C.C45=O.O46 |
1931418 | Nc1c[nH]c(-c2c[nH]c3cccc(Br)c23)c1 | [N][C][=C][NH1][C][Branch1][P][C][=C][NH1][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch2][Ring1][#Branch1][=C][Ring1][#C] | c14c[nH]c2cccc(Br)c12.Nc1c[nH]c4c1 |
1931420 | Nc1c[nH]c(-c2c[nH]c3c(Br)cccc23)c1 | [N][C][=C][NH1][C][Branch1][P][C][=C][NH1][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][=C][Ring1][#C] | c14c[nH]c2c(Br)cccc12.Nc1c[nH]c4c1 |
1931421 | Cc1nnc(CNC(c2ccccc2)c2ccccn2)o1 | [C][C][=N][N][=C][Branch2][Ring1][=Branch1][C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1][O][Ring2][Ring1][Ring2] | Cc1nnc5o1.c17ccccc1.c16ccccn1.C467.C35.N34 |
1931422 | CCN(CC(=O)NCC1CCCO1)c1ccc(F)cc1 | [C][C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | c16ccc(F)cc1.C17CCCO1.C4C2=O.N346.CC3.N25.C57 |
1931423 | O=C1CCCN1c1ccccc1NCc1nnc(-c2ccccc2)o1 | [O][=C][C][C][C][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O] | c16ccccc14.O=C1CCCN16.c15nnc7o1.c17ccccc1.N34.C35 |
1931424 | CCOC(=O)c1c(CN(C)CC(=O)NC)nc2ccccc2c1C | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][=N][C][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring2][Ring1][C][C] | c18c9nc2ccccc2c1C.C7C4=O.C38=O.N67C.CC5.O35.C69.N4C |
1931425 | O=C(Cc1ccc(O)cc1)NCc1ccc(C(F)(F)F)cc1 | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2] | c14ccc(O)cc1.c15ccc6cc1.O=C2C4.C6(F)(F)F.N23.C35 |
1931426 | Cc1cccc(N2CCN(C(=O)Cc3ccc(O)cc3)CC2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][O][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][Ring1][S][=C][Ring2][Ring1][=Branch1] | Cc1cccc5c1.N15CCN4CC1.c16ccc(O)cc1.C4(=O)C6 |
1931427 | NC(=O)c1ccc(S(=O)(=O)NCCc2nnc3ccccn23)cc1 | [N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | c16ccc(S5(=O)=O)cc1.c17nnc2ccccn12.NC6=O.C4C7.N45 |
1931428 | C#CCNS(=O)(=O)c1cccc(C(=O)OCc2cnn(C)c2)c1 | [C][#C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][O][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=C][Ring1][S] | S6(=O)(=O)c1cccc7c1.c18cnn(C)c1.C#CC5.C37=O.N56.O34.C48 |
1931429 | COCc1ccc(C(=O)OC(C)c2ccccc2)o1 | [C][O][C][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][S] | c17ccc6o1.c18ccccc1.C36=O.C58C.CO4.C47.O35 |
1931430 | COCc1ccc(C(=O)N2CC(C)OC(C)C2)o1 | [C][O][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][O][Ring1][#C] | N13CC(C)OC(C)C1.c16ccc5o1.C35=O.CO4.C46 |
1931431 | COCc1ccc(C(=O)OCc2ccccc2OC)o1 | [C][O][C][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][O][Ring1][P] | c19ccccc16.c18ccc7o1.C37=O.CO4.C48.O35.C59.O6C |
1931432 | COCc1ccc(C(=O)OCc2cccc(OC)c2)o1 | [C][O][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][O][Ring1][P] | c19cccc6c1.c18ccc7o1.C37=O.CO4.C48.O35.C59.O6C |
1931433 | COCc1ccc(C(=O)N(C)Cc2cccnc2)o1 | [C][O][C][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][O][Ring1][S] | c17ccc6o1.c18cccnc1.C36=O.N35C.CO4.C47.C58 |
1931434 | CCC(C)n1nccc1NC(=O)c1ccc(COC)o1 | [C][C][C][Branch1][C][C][N][N][=C][C][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][C][O][C][O][Ring1][Branch2] | n16nccc14.c15ccc7o1.CCC6C.C25=O.N24.C37.O3C |
1931436 | COCc1ccc(C(=O)Nc2ccnn2C2CCCCC2)o1 | [C][O][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][C][Ring1][=Branch1][O][Ring2][Ring1][Ring1] | c17ccc6o1.c15ccnn18.C18CCCCC1.C36=O.CO4.C47.N35 |
1931437 | COCc1ccc(C(=O)Nc2ccnn2C(C)C)o1 | [C][O][C][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=N][N][Ring1][Branch1][C][Branch1][C][C][C][O][Ring1][S] | c18ccc6o1.c15ccnn17.C36=O.C7(C)C.CO4.C48.N35 |
1931439 | COCc1ccc(C(=O)NCCCn2nc(C)cc2C)o1 | [C][O][C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][O][Ring2][Ring1][C] | n17nc(C)cc1C.c18ccc6o1.C5CC7.C36=O.CO4.C48.N35 |
1931440 | COCc1ccc(C(=O)OCc2ccccc2F)o1 | [C][O][C][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][O][Ring1][S] | c18ccccc1F.c17ccc6o1.C36=O.CO4.C47.O35.C58 |
1931441 | COCc1ccc(C(=O)OCc2ccccc2Cl)o1 | [C][O][C][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][Ring1][S] | c18ccccc1Cl.c17ccc6o1.C36=O.CO4.C47.O35.C58 |
1931442 | COCc1ccc(C(=O)OCc2cccc(F)c2)o1 | [C][O][C][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][O][Ring1][S] | c18cccc(F)c1.c17ccc6o1.C36=O.CO4.C47.O35.C58 |
1931443 | COCc1ccc(C(=O)OCc2ccc(F)cc2)o1 | [C][O][C][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring1][S] | c18ccc(F)cc1.c17ccc6o1.C36=O.CO4.C47.O35.C58 |
1931445 | COc1ccc(OC)c(CC(=O)N(C)Cc2cnn(C)c2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=C][Ring2][Ring1][Ring2] | c14ccc5c7c1.c18cnn(C)c1.C7C3=O.N36C.CO4.O5C.C68 |
1931446 | CCOc1cccc2cc(C(C)NC(=O)c3ccc(COC)o3)oc12 | [C][C][O][C][=C][C][=C][C][C][=C][Branch2][Ring1][=Branch1][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][C][O][C][O][Ring1][Branch2][O][C][Ring2][Ring1][=Branch1][=Ring2][Ring1][C] | c17cccc2cc%10oc12.c19ccc%11o1.C8%10C.C49=O.CC5.O57.N48.C6%11.O6C |
1931447 | O=C(Nc1ccc(C(=O)N2CCC(O)CC2)cc1)c1cccs1 | [O][=C][Branch2][Ring1][O][N][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][=C][Ring1][#C][C][=C][C][=C][S][Ring1][Branch1] | c15ccc7cc1.N14CCC(O)CC1.c16cccs1.O=C36.C47=O.N35 |
1931448 | CC(c1cccs1)N(C)C(=O)COc1ccccc1O | [C][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O] | c14ccccc1O.c16cccs1.C2(=O)C3.CC56.N25C.O34 |
1931449 | COCc1ccc(C(=O)OCc2nnnn2-c2ccccc2)o1 | [C][O][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][Ring2] | c17ccc6o1.c18nnnn19.c19ccccc1.C36=O.CO4.C47.O35.C58 |
1931451 | OC(COCc1ccc2c(c1)OCO2)CN1CCc2ccccc21 | [O][C][Branch2][Ring1][Ring1][C][O][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] | c16ccc2c(c1)OCO2.N15CCc2ccccc21.OC(C3)C5.O34.C46 |
1931452 | CCNC(=O)N1CCN(Cc2nnc(-c3ccc(F)cc3)o2)CC1 | [C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=Branch1][C][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring1][N][C][C][Ring2][Ring1][Ring1] | N15CCN7CC1.c19ccc(F)cc1.c18nnc9o1.C45=O.CC6.N46.C78 |
1931453 | CCNC(=O)N1CCN(Cc2cccc(OC)c2)CC1 | [C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][C][Ring1][#C] | N14CCN7CC1.c18cccc5c1.C34=O.CC6.N36.C78.O5C |
1931454 | CCNC(=O)N1CCN(Cc2cccc(Br)c2)CC1 | [C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][C][Ring1][=C] | N14CCN6CC1.c17cccc(Br)c1.C34=O.CC5.N35.C67 |
1931455 | CCNC(=O)N1CCN(Cc2nnc(-c3cccc(C)c3)o2)CC1 | [C][C][N][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=Branch1][C][C][=N][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][O][Ring1][N][C][C][Ring2][Ring1][Ring1] | N15CCN7CC1.c19cccc(C)c1.c18nnc9o1.C45=O.CC6.N46.C78 |
1931456 | Cc1cc(CN2CCN(CC(O)COC(C)C)CC2)on1 | [C][C][C][=C][Branch2][Ring1][Branch2][C][N][C][C][N][Branch1][=N][C][C][Branch1][C][O][C][O][C][Branch1][C][C][C][C][C][Ring1][=C][O][N][=Ring2][Ring1][Ring2] | N15CCN6CC1.Cc1cc7on1.C6C(O)C3.C4(C)C.C57.O34 |
1931457 | COCc1ccc(C(=O)NC2(c3ccccc3)CCC2)o1 | [C][O][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][#Branch2][O][Ring2][Ring1][C] | c18ccc7o1.c19ccccc1.C169CCC1.C47=O.CO5.C58.N46 |
1931458 | COCc1ccc(C(=O)Oc2ccc3c(c2)OCCO3)o1 | [C][O][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][O][Ring2][Ring1][C] | c16ccc2c(c1)OCCO2.c18ccc7o1.C47=O.CO5.C58.O46 |
1931459 | COc1ccc(OC)c(CC(=O)NC2CCc3ccccc32)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][=C][Ring2][Ring1][Branch1] | N4C1CCc2ccccc21.c15ccc6c7c1.C7C4=O.CO5.O6C |
1931460 | COc1ccc(OC)c(CC(=O)NCc2ccc(C)c(F)c2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][F][=C][Ring1][Branch2][=C][Ring2][Ring1][Branch1] | c14ccc5c7c1.c18ccc(C)c(F)c1.C7C3=O.CO4.O5C.N36.C68 |
1931461 | Cc1ccc(CNC(=O)Cc2ccc(O)cc2)cc1F | [C][C][=C][C][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][C][F] | Cc1ccc5cc1F.c16ccc(O)cc1.C3(=O)C6.C45.N34 |
1931462 | CCC(CC)NC(=O)c1cc2ccc(OC)cc2nc1C | [C][C][C][Branch1][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][=C][Ring1][N][C] | c16cc2ccc4cc2nc1C.CCC5CC.C36=O.N35.O4C |
1931463 | CSc1ccc(C(=O)N2CCN(CCc3ccccc3)CC2)cc1 | [C][S][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][C][=C][Ring2][Ring1][=Branch1] | c18ccc6cc1.N14CCN5CC1.c17ccccc1.C46=O.C5C7.CS8 |
1931464 | Cc1ccc(CCC(=O)Oc2cccc(N3CCCC3=O)c2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][Ring1][N][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc6cc1.c15cccc7c1.N17CCCC1=O.C6CC4=O.O45 |
1931465 | Cc1cccc(CCC(=O)Oc2cccc(N3CCCC3=O)c2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][Ring1][N][=C][Ring2][Ring1][#Branch1] | Cc1cccc6c1.c15cccc7c1.N17CCCC1=O.C6CC4=O.O45 |
1931466 | O=C(Cc1ccc(O)cc1)NCc1ccccc1OC(F)(F)F | [O][=C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][Branch1][C][F][F] | c15ccc(O)cc1.c16ccccc13.O3C(F)(F)F.O=C2C5.N24.C46 |
1931468 | O=C(Nc1ccccc1)C1CCCN(C(=O)Cc2ccc(O)cc2)C1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Ring1][S] | C16CCCN4C1.c17ccc(O)cc1.c15ccccc1.C4(=O)C7.O=C36.N35 |
1931469 | COCc1ccc(C(=O)NC(c2ccc(OC)cc2)C2CC2)o1 | [C][O][C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][C][C][Ring1][Ring1][O][Ring2][Ring1][Ring2] | c1%10ccc5cc1.c18ccc7o1.C37=O.C69%10.C19CC1.CO4.C48.N36.O5C |
1931470 | N#Cc1cccnc1N1CCN(C(=O)Cc2ccc(O)cc2)CC1 | [N][#C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][Ring1][S] | N#Cc1cccnc14.N14CCN3CC1.c15ccc(O)cc1.C3(=O)C5 |
1931471 | COc1cc(CC(=O)OCc2cnn(C)c2)ccc1C | [C][O][C][=C][C][Branch2][Ring1][C][C][C][=Branch1][C][=O][O][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=C][C][=C][Ring1][P][C] | c15cc6ccc1C.c17cnn(C)c1.C6C3=O.CO5.O34.C47 |
1931472 | Cc1cccc2c(=O)n(CCC(=O)Nc3cccc(O)c3)cnc12 | [C][C][=C][C][=C][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=N][C][Ring2][Ring1][#Branch1][=Ring2][Ring1][Ring1] | Cc1cccc2c(=O)n6cnc12.c15cccc(O)c1.C6CC4=O.N45 |
1931473 | COc1ccc2cc(C(=O)Nc3cccc(O)c3)c(C)nc2c1 | [C][O][C][=C][C][=C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][Branch1][C][C][=N][C][Ring1][P][=C][Ring2][Ring1][Branch1] | c15ccc2cc7c(C)nc2c1.c16cccc(O)c1.C47=O.CO5.N46 |
1931474 | COc1ccc2cc(C(=O)NCCO)c(C)nc2c1 | [C][O][C][=C][C][=C][C][=C][Branch1][=Branch2][C][=Branch1][C][=O][N][C][C][O][C][Branch1][C][C][=N][C][Ring1][=N][=C][Ring1][P] | c14ccc2cc6c(C)nc2c1.C36=O.C5CO.CO4.N35 |
1931475 | O=C(NCCO)c1occc1CSc1ccccc1 | [O][=C][Branch1][Branch1][N][C][C][O][C][O][C][=C][C][=Ring1][Branch1][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1] | c15occc16.c17ccccc1.O=C25.C3CO.N23.C46.S47 |
1931476 | CCN(Cc1ccccc1)Cc1nc(N)nc(N(C)C)n1 | [C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][C][Branch1][C][N][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring1][#Branch2] | c16nc5nc(N)n1.c17ccccc1.N234.N5(C)C.CC2.C37.C46 |
1931477 | Fc1cccc(NCc2noc(-c3ccccc3)n2)c1 | [F][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][C][=N][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][=C][Ring2][Ring1][Ring1] | Fc1cccc5c1.c16noc7n1.c17ccccc1.N45.C46 |
1931478 | Fc1ccccc1NCc1noc(-c2ccccc2)n1 | [F][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=N][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O] | Fc1ccccc14.c15noc6n1.c16ccccc1.N34.C35 |
1931479 | COc1ccnc(N(C)CC(=O)Nc2cc(C)on2)n1 | [C][O][C][=C][C][=N][C][Branch2][Ring1][Branch1][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][O][N][=Ring1][=Branch1][=N][Ring2][Ring1][C] | c14ccnc6n1.c17cc(C)on1.C5C3=O.N56C.CO4.N37 |
1931481 | Cc1ccc2nc(C)c(C(=O)Nc3cccc(O)c3)cc2c1 | [C][C][=C][C][=C][N][=C][Branch1][C][C][C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][=C][C][Ring1][P][=C][Ring2][Ring1][Branch1] | Cc1ccc2nc(C)c6cc2c1.c15cccc(O)c1.C46=O.N45 |
1931482 | Cc1nc2cc(F)ccc2cc1C(=O)Nc1cccc(O)c1 | [C][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] | Cc1nc2cc(F)ccc2cc15.c14cccc(O)c1.C35=O.N34 |
1931483 | CCC(C)C(NC(=O)c1cc2ccc(F)cc2nc1C)C(N)=O | [C][C][C][Branch1][C][C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][Ring1][O][C][C][Branch1][C][N][=O] | c15cc2ccc(F)cc2nc1C.CCC(C)C4C(N)=O.C35=O.N34 |
1931484 | NC(=O)c1cnc(NC(=O)Cn2c(=O)oc3ccccc32)s1 | [N][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][S][Ring2][Ring1][Ring1] | n17c(=O)oc2ccccc21.c16cnc5s1.C4(=O)C7.NC6=O.N45 |
1931485 | NC(=O)c1cnc(NC(=O)c2cccnc2N2CCCC2)s1 | [N][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][S][Ring2][Ring1][Ring1] | c17cccnc15.c16cnc4s1.N15CCCC1.NC6=O.C37=O.N34 |
1931486 | Cc1cc(C(=O)Nc2ncc(C(N)=O)s2)on1 | [C][C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][S][Ring1][Branch2][O][N][=Ring1][S] | Cc1cc5on1.c14ncc6s1.C35=O.C6(N)=O.N34 |
1931488 | Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ncc(C(N)=O)s1 | [C][C][=N][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][=C][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][S][Ring1][Branch2] | Cc1nn5c(C)c16.c13ncc4s1.C5C(C)C.C6C2=O.C4(N)=O.N23 |
1931489 | NC(=O)c1cnc(NC(=O)CCc2cnn(-c3ccccc3)c2)s1 | [N][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][S][Ring2][Ring1][Branch1] | c16cnc5s1.c17cnn8c1.c18ccccc1.C4(=O)CC7.NC6=O.N45 |
1931490 | NC(=O)c1cnc(NC(=O)CCn2ncc(=O)c3ccccc32)s1 | [N][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][N][N][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][S][Ring2][Ring1][Branch1] | n17ncc(=O)c2ccccc21.c16cnc5s1.C4(=O)CC7.NC6=O.N45 |
1931491 | NC(=O)c1cnc(NC(=O)CCn2cnc3ccccc3c2=O)s1 | [N][C][=Branch1][C][=O][C][=C][N][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][S][Ring2][Ring1][Branch1] | n17cnc2ccccc2c1=O.c16cnc5s1.C4(=O)CC7.NC6=O.N45 |
1931494 | Cc1csc(=O)n1CCSc1nc2c(cc1C#N)CCCC2 | [C][C][=C][S][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][S][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][C][#N][C][C][C][C][Ring1][#Branch2] | c15nc2c(cc1C#N)CCCC2.Cc1csc(=O)n14.C4C3.S35 |
1931496 | COc1ccc(C(C)=O)cc1CC(=O)NC1(C#N)CCCC1 | [C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][#N][C][C][C][C][Ring1][#Branch1] | c13ccc5cc16.C14(C#N)CCCC1.C6C2=O.C5(C)=O.CO3.N24 |
1931498 | O=C(Nc1cc(C2CCCC2)nn1-c1ccccc1)c1ccccn1 | [O][=C][Branch2][Ring1][#Branch2][N][C][=C][C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][=N][N][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1] | c14cc7nn16.c16ccccc1.c15ccccn1.C17CCCC1.O=C35.N34 |
1931499 | CC1CC(N2CCCC2c2nc3ccccc3s2)C(=O)O1 | [C][C][C][C][Branch2][Ring1][Branch1][N][C][C][C][C][Ring1][Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=Branch1][C][=O][O][Ring2][Ring1][Ring2] | c15nc2ccccc2s1.CC1CC4C(=O)O1.N14CCCC15 |
1931501 | CC(C)OCCOC(=O)C1CCN(C(=O)C2CC2)CC1 | [C][C][Branch1][C][C][O][C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][O] | C18CCN4CC1.CC5C.C6C7.C38=O.C49=O.C19CC1.O56.O37 |
1931502 | C=C(C)COC(=O)C1CCN(C(=O)C2CC2)CC1 | [C][=C][Branch1][C][C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][O] | C16CCN4CC1.C=C(C)C5.C36=O.C47=O.C17CC1.O35 |
1931503 | COCCOC(=O)C1CCN(C(=O)C2CC2)CC1 | [C][O][C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][O] | C17CCN4CC1.C5C6.C37=O.C48=O.C18CC1.CO5.O36 |
1931505 | COc1ccc(S(=O)(=O)NCCCn2ccnc2)c(C)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][Branch1][C][C][=C][Ring2][Ring1][Ring1] | c13ccc(S5(=O)=O)c(C)c1.n16ccnc1.C4CC6.CO3.N45 |
1931508 | N#Cc1cc(S(=O)(=O)NCCCn2ccnc2)ccc1Cl | [N][#C][C][=C][C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][N][C][=C][N][=C][Ring1][Branch1][=C][C][=C][Ring2][Ring1][C][Cl] | N#Cc1cc(S4(=O)=O)ccc1Cl.n15ccnc1.C3CC5.N34 |
1931509 | COc1cc(C)c(S(=O)(=O)N(Cc2ccncc2)C2CC2)cc1C | [C][O][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][Branch1][C] | c13cc(C)c(S5(=O)=O)cc1C.c17ccncc1.N456.C16CC1.CO3.C47 |
1931510 | COc1ccc(S(=O)(=O)N(C)C(C)C2CC2)c(C)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][C][C][C][C][Ring1][Ring1][C][Branch1][C][C][=C][Ring1][P] | c13ccc(S5(=O)=O)c(C)c1.N45C.C46C.C16CC1.CO3 |
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