ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1934508 | CCc1nnc(CNC(C)C2COc3ccccc32)o1 | [C][C][C][=N][N][=C][Branch2][Ring1][Ring2][C][N][C][Branch1][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][O][Ring2][Ring1][C] | C5(C)C1COc2ccccc21.c16nnc7o1.CC6.C47.N45 |
1934509 | CN(CCO)C(=O)C1CCCN1C(=O)Cc1cccs1 | [C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1] | C15CCCN13.c16cccs1.C3(=O)C6.CN24.C4CO.C25=O |
1934510 | O=C(NCCCO)C1CCCN1C(=O)Cc1cccs1 | [O][=C][Branch1][=Branch1][N][C][C][C][O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][S][Ring1][Branch1] | C15CCCN13.c16cccs1.C4CCO.C3(=O)C6.O=C25.N24 |
1934511 | CC(CNC(=O)Nc1ccccc1N1CCOCC1)c1nccs1 | [C][C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1][C][=N][C][=C][S][Ring1][Branch1] | c15ccccc16.N16CCOCC1.c17nccs1.CC7C4.C23=O.N24.N35 |
1934512 | CCN(CCO)C(=O)c1ccc(OCC2CC2)cc1 | [C][C][N][Branch1][Ring2][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][=C][Ring1][O] | c18ccc5cc1.N367.C7CO.C38=O.C19CC1.CC6.O45.C49 |
1934513 | O=C(Nc1ccc(OCc2cccnc2)cc1)c1ccc2[nH]cnc2n1 | [O][=C][Branch2][Ring1][=Branch1][N][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][=C][C][=C][NH1][C][=N][C][Ring1][Branch1][=N][Ring1][=Branch2] | c17ccc2[nH]cnc2n1.c16ccc5cc1.c18cccnc1.O=C37.N36.O45.C48 |
1934515 | Cc1csc(COC(=O)c2c(C)cc[nH]c2=O)n1 | [C][C][=C][S][C][Branch2][Ring1][Ring1][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][NH1][C][Ring1][#Branch1][=O][=N][Ring1][P] | c15c(C)cc[nH]c1=O.Cc1csc6n1.C35=O.C46.O34 |
1934516 | Cc1cc(C)c(C(=O)OCCc2c[nH]nc2C(F)(F)F)c(=O)[nH]1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][O][C][C][C][=C][NH1][N][=C][Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][NH1][Ring2][Ring1][=Branch1] | Cc1cc(C)c5c(=O)[nH]1.c17c[nH]nc16.C6(F)(F)F.C35=O.C4C7.O34 |
1934517 | CCc1cnccc1C(=O)OC(C)Cc1cccnc1 | [C][C][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1] | c15cnccc14.c16cccnc1.C3(C)C6.C24=O.CC5.O23 |
1934518 | O=C(OCc1ccnc(-n2ccnc2)c1)c1ncccc1C(F)(F)F | [O][=C][Branch2][Ring1][Ring2][O][C][C][=C][C][=N][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=C][Ring1][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | c16ccnc8c1.c15ncccc17.n18ccnc1.C7(F)(F)F.O=C35.O34.C46 |
1934521 | CC1CCCN(C(=O)c2nccnc2N)c2ccccc21 | [C][C][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=N][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2] | CC1CCCN3c2ccccc21.c14nccnc1N.C34=O |
1934522 | CC1CCCN(C(=O)c2ccc(-n3cncn3)nc2)c2ccccc21 | [C][C][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][N][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch2] | CC1CCCN4c2ccccc21.c15ccc6nc1.n16cncn1.C45=O |
1934523 | CCc1cccc(NC(=O)Nc2nccn(C)c2=O)c1 | [C][C][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][=N][C][=C][N][Branch1][C][C][C][Ring1][#Branch1][=O][=C][Ring2][Ring1][C] | c15nccn(C)c1=O.c17cccc6c1.C34=O.CC7.N36.N45 |
1934524 | Cc1cnn(-c2ccc(C(N)=O)cc2NCc2cccnc2C)c1 | [C][C][C][=N][N][Branch2][Ring1][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][=Ring2][Ring1][#Branch1] | c17ccc5cc14.c16cccnc1C.Cc1cnn7c1.C5(N)=O.N34.C36 |
1934525 | COC(=O)c1cc(CN(C)C(C)c2cccnc2)c[nH]1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][C][C][N][Branch1][C][C][C][Branch1][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][NH1][Ring1][S] | c16cc7c[nH]1.c18cccnc1.C36=O.N45C.C58C.CO3.C47 |
1934527 | Cc1cc(C)n2c(CNc3nnc(C(C)(C)C)o3)cnc2n1 | [C][C][C][=C][Branch1][C][C][N][C][Branch2][Ring1][Ring2][C][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][=Branch2][=C][N][=C][Ring1][S][N][=Ring2][Ring1][Branch1] | Cc1cc(C)n2c6cnc2n1.c15nnc7o1.C7(C)(C)C.C46.N45 |
1934528 | COc1c(CNc2nnc(-c3cc(C)oc3C)o2)c(C)nn1C | [C][O][C][=C][Branch2][Ring1][#Branch1][C][N][C][=N][N][=C][Branch1][N][C][C][=C][Branch1][C][C][O][C][=Ring1][=Branch1][C][O][Ring1][N][C][Branch1][C][C][=N][N][Ring2][Ring1][Ring2][C] | c14c7c(C)nn1C.c18cc(C)oc1C.c16nnc8o1.CO4.C57.N56 |
1934529 | c1csc(-c2nnc(NCc3ccccc3N3CCOCC3)o2)c1 | [C][=C][S][C][Branch2][Ring1][=C][C][=N][N][=C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1][O][Ring2][Ring1][Ring1][=C][Ring2][Ring1][Branch2] | c17ccccc16.c18nnc5o1.N16CCOCC1.c1csc8c1.N45.C47 |
1934530 | Cn1nncc1CNc1ncc(Cc2ccccc2F)s1 | [C][N][N][=N][C][=C][Ring1][Branch1][C][N][C][=N][C][=C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][Ring1][=N] | c17ccccc1F.Cn1nncc15.c14ncc6s1.C35.N34.C67 |
1934531 | Cn1cccc1CNc1nnc(C2COc3ccccc3O2)o1 | [C][N][C][=C][C][=C][Ring1][Branch1][C][N][C][=N][N][=C][Branch1][#C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][O][Ring1][#C] | C17COc2ccccc2O1.Cn1cccc16.c15nnc7o1.C46.N45 |
1934533 | O=C(NCc1cccnc1)Nc1ncn(C2CCCCC2)n1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][N][=C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][N][=Ring1][O] | c17cccnc1.c16ncn8n1.C18CCCCC1.O=C34.N35.C57.N46 |
1934534 | Cc1ccc(-c2nc(CNC(=O)N3CCCC3C(C)(C)O)co2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][P][C][=N][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][O][=C][O][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] | Cc1ccc9cc1.c19nc8co1.N15CCCC17.C7(C)(C)O.C45=O.C68.N46 |
1934535 | Cn1ncnc1SCc1nc2ccccc2c(=O)n1C | [C][N][N][=C][N][=C][Ring1][Branch1][S][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C] | c14nc2ccccc2c(=O)n1C.Cn1ncnc15.S35.C34 |
1934536 | CCc1nc(CC(=O)N2CCOC(C)(C)C2)cs1 | [C][C][C][=N][C][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][=C][S][Ring1][S] | N13CCOC(C)(C)C1.c14nc5cs1.C5C3=O.CC4 |
1934537 | CCC1CCCCC1NC(=O)CNC(=O)c1ccsc1 | [C][C][C][C][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1] | C17CCCCC15.c16ccsc1.C2(=O)C4.C36=O.CC7.N25.N34 |
1934538 | CCCn1c(C)nnc1CSc1ncnn1C | [C][C][C][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][C][S][C][=N][C][=N][N][Ring1][Branch1][C] | n13c4nnc1C.c15ncnn1C.CCC3.C24.S25 |
1934539 | N#Cc1ncn(Cc2nc3cc(Br)ccc3[nH]2)n1 | [N][#C][C][N][=C][N][Branch2][Ring1][C][C][C][=N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][N][=Ring1][S] | c15nc2cc(Br)ccc2[nH]1.N#Cc1ncn4n1.C45 |
1934540 | Cc1c(CNc2nnc(C(F)(F)F)s2)cnn1C | [C][C][=C][Branch2][Ring1][Ring2][C][N][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2][C][=N][N][Ring1][S][C] | Cc1c6cnn1C.c14nnc5s1.C5(F)(F)F.C36.N34 |
1934541 | Cc1nnc(C(=O)N(CCCO)C2CCCc3ccccc32)s1 | [C][C][=N][N][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][C][O][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][S][Ring2][Ring1][=Branch1] | N45C1CCCc2ccccc21.Cc1nnc6s1.C5CCO.C46=O |
1934542 | CCc1nc(CC(=O)Nc2cccc(-n3nc(C)cc3C)c2)cs1 | [C][C][C][=N][C][Branch2][Ring1][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][N][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N][=C][S][Ring2][Ring1][=Branch1] | c15cccc8c1.n18nc(C)cc1C.c16nc7cs1.C7C4=O.CC6.N45 |
1934543 | OCCc1cnn(Cc2ccc(-n3cccn3)cc2)c1 | [O][C][C][C][C][=N][N][Branch2][Ring1][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][O][C][=Ring1][P] | c16ccc7cc1.c15cnn4c1.n17cccn1.OCC5.C46 |
1934544 | Cc1ccc(Cl)c(OCC(O)Cn2cnc(C)cc2=O)c1 | [C][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][Ring2][O][C][C][Branch1][C][O][C][N][C][=N][C][Branch1][C][C][=C][C][Ring1][#Branch1][=O][=C][Ring2][Ring1][Ring2] | Cc1ccc(Cl)c4c1.n15cnc(C)cc1=O.C3C(O)C5.O34 |
1934545 | Cc1ccc(Cl)c(OCC(O)Cn2cnc(C)c(C)c2=O)c1 | [C][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][#Branch1][O][C][C][Branch1][C][O][C][N][C][=N][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][Branch2][=O][=C][Ring2][Ring1][Branch1] | n15cnc(C)c(C)c1=O.Cc1ccc(Cl)c4c1.C3C(O)C5.O34 |
1934546 | Cc1oc(-c2ccccc2)nc1CSc1ncnn1C | [C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][S][C][=N][C][=N][N][Ring1][Branch1][C] | Cc1oc6nc14.c16ccccc1.c15ncnn1C.C34.S35 |
1934547 | CC(O)CN(C)C(=O)c1ccccc1NCc1ccco1 | [C][C][Branch1][C][O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][O][Ring1][Branch1] | c16ccccc15.c17ccco1.CC(O)C3.N23C.C26=O.N45.C47 |
1934548 | Cn1ncnc1SCC(=O)N1CCc2ccccc2C1 | [C][N][N][=C][N][=C][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N13CCc2ccccc2C1.Cn1ncnc15.C4C3=O.S45 |
1934549 | COC(=O)c1ccc(CSc2ncnn2C)s1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][S][C][=N][C][=N][N][Ring1][Branch1][C][S][Ring1][=N] | c15ccc6s1.c17ncnn1C.C35=O.CO3.C46.S47 |
1934550 | Cc1nc(NC(=O)c2n[nH]c3ccccc23)n(C)n1 | [C][C][N][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][Branch1][C][C][N][=Ring2][Ring1][C] | c16n[nH]c2ccccc12.Cc1nc5n(C)n1.C46=O.N45 |
1934551 | Cn1ncnc1SCc1nnc(-c2ccccc2Cl)o1 | [C][N][N][=C][N][=C][Ring1][Branch1][S][C][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][O][Ring1][N] | c16ccccc1Cl.Cn1ncnc15.c14nnc6o1.S35.C34 |
1934553 | C=CCOC1CCN(S(=O)(=O)c2ccc(N)cc2)C1 | [C][=C][C][O][C][C][C][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][Ring1][#C] | S5(=O)(=O)c1ccc(N)cc1.C14CCN5C1.C=CC3.O34 |
1934554 | COCCC(C)(C)C(=O)N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 | [C][O][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][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] | C4CC(C)(C)C3=O.N13CCC6CC1.c16nc5c[nH]1.C5(F)(F)F.CO4 |
1934555 | CCCn1nc(C)c(CNc2nnc(C(F)F)s2)c1C | [C][C][C][N][N][=C][Branch1][C][C][C][Branch1][P][C][N][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][F][F][S][Ring1][Branch2][=C][Ring1][S][C] | n15nc(C)c7c1C.c14nnc6s1.CCC5.C6(F)F.C37.N34 |
1934556 | Cn1cc(CNc2nnc(C(F)F)s2)c(C(C)(C)C)n1 | [C][N][C][=C][Branch1][P][C][N][C][=N][N][=C][Branch1][=Branch1][C][Branch1][C][F][F][S][Ring1][Branch2][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][Ring2][Ring1][Ring1] | Cn1cc7c6n1.c14nnc5s1.C6(C)(C)C.C5(F)F.C37.N34 |
1934557 | Cc1ccncc1NCc1cn(C)nc1-c1ccccc1 | [C][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1ccncc13.c14cn(C)nc15.c15ccccc1.N23.C24 |
1934558 | Cc1nn(C)c(C)c1CC(=O)Nc1c(C)noc1-c1ccccc1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1nn(C)c(C)c14.c13c(C)noc15.c15ccccc1.C4C2=O.N23 |
1934559 | CC(C)Cc1nc(COc2cccc(F)c2C(N)=O)no1 | [C][C][Branch1][C][C][C][C][=N][C][Branch2][Ring1][Ring1][C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Branch1][C][N][=O][=N][O][Ring1][P] | c14cccc(F)c15.c16nc7no1.CC(C)C6.C5(N)=O.C37.O34 |
1934560 | CCc1nc(COc2cccc(F)c2C(N)=O)no1 | [C][C][C][=N][C][Branch2][Ring1][Ring1][C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Branch1][C][N][=O][=N][O][Ring1][P] | c14cccc(F)c15.c16nc7no1.C5(N)=O.CC6.C37.O34 |
1934561 | CC(C)OC(=O)c1ccn(Cc2cnn(C)c2C(F)(F)F)c(=O)c1 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][=C][N][Branch2][Ring1][Ring2][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][C][=Ring2][Ring1][C] | c15ccn6c(=O)c1.c18cnn(C)c17.C7(F)(F)F.CC4C.C35=O.O34.C68 |
1934562 | CC(C)OC(=O)c1ccn(Cc2nc3ccccc3o2)c(=O)c1 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][=C][N][Branch1][#C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C][=Branch1][C][=O][C][=Ring1][P] | c18nc2ccccc2o1.c16ccn7c(=O)c1.CC5C.C46=O.O45.C78 |
1934564 | CC(C)OC(=O)c1ccn(Cc2ncoc2C(C)C)c(=O)c1 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][=C][N][Branch1][=C][C][C][N][=C][O][C][=Ring1][Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=Ring1][S] | c15ccn6c(=O)c1.c17ncoc18.CC4C.C35=O.C8(C)C.O34.C67 |
1934565 | Cc1cc2c(=O)[nH]c(CCC3CCCCO3)nc2s1 | [C][C][=C][C][C][=Branch1][C][=O][NH1][C][Branch1][O][C][C][C][C][C][C][C][O][Ring1][=Branch1][=N][C][=Ring1][#C][S][Ring2][Ring1][C] | Cc1cc2c(=O)[nH]c5nc2s1.C14CCCCO1.C5C4 |
1934566 | O=c1[nH]c(CCC2CCCCO2)nc2cc(F)ccc12 | [O][=C][NH1][C][Branch1][O][C][C][C][C][C][C][C][O][Ring1][=Branch1][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring2][Ring1][Ring1][Ring1][#Branch1] | O=c1[nH]c4nc2cc(F)ccc12.C13CCCCO1.C4C3 |
1934567 | O=C(Nc1cc(C2CCOCC2)[nH]n1)c1scnc1C1CCCC1 | [O][=C][Branch2][Ring1][Ring1][N][C][C][=C][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][NH1][N][=Ring1][O][C][S][C][=N][C][=Ring1][Branch1][C][C][C][C][C][Ring1][Branch1] | c14cc6[nH]n1.C16CCOCC1.c15scnc17.C17CCCC1.O=C35.N34 |
1934568 | CCc1n[nH]c(NC(=O)c2cc(C(=O)OC)co2)c1Br | [C][C][C][=N][NH1][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][O][Ring1][=Branch2][=C][Ring1][P][Br] | c18n[nH]c5c1Br.c16cc7co1.C46=O.C37=O.CC8.N45.O3C |
1934569 | O=C(NCc1nc[nH]n1)C1(Cc2nc3ccccc3[nH]2)CCCC1 | [O][=C][Branch1][#Branch2][N][C][C][N][=C][NH1][N][=Ring1][Branch1][C][Branch1][#C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][C][C][C][Ring1][#C] | c18nc2ccccc2[nH]1.C169CCCC1.c17nc[nH]n1.O=C46.N45.C57.C89 |
1934570 | O=C(CNC(=O)c1ccsc1)Nc1ccc(N2CCCCC2)cn1 | [O][=C][Branch1][=C][C][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=N][Ring1][N] | c16ccc7cn1.N17CCCCC1.c18ccsc1.O=C3C5.C48=O.N45.N36 |
1934571 | Cc1nccc(N2CCN(C(=O)NCc3ccnn3C)CC2)n1 | [C][C][=N][C][=C][C][Branch2][Ring1][=Branch2][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=N][N][Ring1][Branch1][C][C][C][Ring1][S][=N][Ring2][Ring1][=Branch1] | Cc1nccc7n1.N17CCN4CC1.c18ccnn1C.C45=O.N56.C68 |
1934573 | CC(C)(C)CC(NC(=O)N1CCC2(C1)OCCO2)C(F)(F)F | [C][C][Branch1][C][C][Branch1][C][C][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Ring2][C][Ring1][Branch1][O][C][C][O][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | CC(C)(C)CC5C(F)(F)F.N14CCC2(C1)OCCO2.C34=O.N35 |
1934574 | CC(=O)c1ccc(C(=O)NCC(O)Cc2ccc(F)cc2F)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][Ring2][Ring1][Branch1] | c17ccc(F)cc1F.c15ccc6cc1.C4C(O)C7.CC5=O.C36=O.N34 |
1934575 | O=C(NCC(O)Cc1ccc(F)cc1F)c1ccco1 | [O][=C][Branch2][Ring1][Ring2][N][C][C][Branch1][C][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][C][=C][O][Ring1][Branch1] | c15ccc(F)cc1F.C3C(O)C5.c14ccco1.O=C24.N23 |
1934576 | CCn1c(C)cc(C(=O)Nc2n[nH]c(C3CCC3)n2)c1C | [C][C][N][C][Branch1][C][C][=C][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=N][NH1][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][=N][Ring1][=Branch2][=C][Ring2][Ring1][C][C] | n17c(C)cc6c1C.c15n[nH]c8n1.C18CCC1.C46=O.CC7.N45 |
1934577 | Cc1nc(C(=O)OCC2CCC(C)O2)c(-c2ccccc2)o1 | [C][C][=N][C][Branch1][P][C][=Branch1][C][=O][O][C][C][C][C][C][Branch1][C][C][O][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][Branch1] | Cc1nc5c7o1.C16CCC(C)O1.c17ccccc1.C35=O.O34.C46 |
1934578 | O=C(CC1CCC1)Nc1cncnc1N1CCCC1 | [O][=C][Branch1][Branch2][C][C][C][C][C][Ring1][Ring2][N][C][=C][N][=C][N][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1] | c14cncnc13.N13CCCC1.O=C2C5.C15CCC1.N24 |
1934580 | CCN(Cc1ccccc1NC1C2CCOC2C12CCC2)C(C)=O | [C][C][N][Branch2][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][O][C][Ring1][Branch1][C][Ring1][#Branch1][C][C][C][Ring1][Ring2][C][Branch1][C][C][=O] | C17C2CCOC2C12CCC2.c18ccccc16.N345.C3(C)=O.CC4.C58.N67 |
1934581 | NC(=O)CCOc1ccccc1NC1C2CCOC2C12CCC2 | [N][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][O][C][Ring1][Branch1][C][Ring1][#Branch1][C][C][C][Ring1][Ring2] | C16C2CCOC2C12CCC2.c14ccccc15.NC(=O)CC3.O34.N56 |
1934582 | CC1CN(Cc2cc(C#N)cs2)C(C)(C)CO1 | [C][C][C][N][Branch1][=N][C][C][=C][C][Branch1][Ring1][C][#N][=C][S][Ring1][#Branch1][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][S] | CC1CN3C(C)(C)CO1.c14cc(C#N)cs1.C34 |
1934583 | COCCOc1ccccc1NC1C2CCOC2C12CCC2 | [C][O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][O][C][Ring1][Branch1][C][Ring1][#Branch1][C][C][C][Ring1][Ring2] | C17C2CCOC2C12CCC2.c15ccccc16.C3C4.CO3.O45.N67 |
1934584 | CSc1cccc(N(C)Cc2ccc(CO)o2)c1 | [C][S][C][=C][C][=C][C][Branch1][P][N][Branch1][C][C][C][C][=C][C][=C][Branch1][Ring1][C][O][O][Ring1][#Branch1][=C][Ring1][S] | c17cccc4c1.c15ccc6o1.N34C.CS7.C35.C6O |
1934585 | Cc1cn2c(CN3CCN(Cc4ccncc4)CC3)c(C)nc2s1 | [C][C][=C][N][C][Branch2][Ring1][Branch1][C][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=C][Branch1][C][C][N][=C][Ring2][Ring1][Ring2][S][Ring2][Ring1][#Branch1] | Cc1cn2c7c(C)nc2s1.N15CCN6CC1.c18ccncc1.C57.C68 |
1934586 | N#Cc1csc(CN2CCN(Cc3ccncc3)CC2)c1 | [N][#C][C][=C][S][C][Branch2][Ring1][Branch1][C][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=C][Ring2][Ring1][Ring1] | N#Cc1csc6c1.N14CCN5CC1.c17ccncc1.C46.C57 |
1934587 | CCn1nccc1CN1CCN(CC(F)(F)F)CC1(C)C | [C][C][N][N][=C][C][=C][Ring1][Branch1][C][N][C][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][O][Branch1][C][C][C] | N12CCN3CC1(C)C.n14nccc15.C3C(F)(F)F.CC4.C25 |
1934588 | COc1ccc(C(N)=O)cc1NC1C2CCOC2C12CCC2 | [C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][N][C][C][C][C][O][C][Ring1][Branch1][C][Ring1][#Branch1][C][C][C][Ring1][Ring2] | C15C2CCOC2C12CCC2.c13ccc6cc14.C6(N)=O.CO3.N45 |
1934589 | O=C(Cc1cccnc1)Nc1cnn(-c2ccccc2)c1C(F)(F)F | [O][=C][Branch1][#Branch2][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][Branch1][C][F][Branch1][C][F][F] | c14cnn7c15.c16cccnc1.c17ccccc1.O=C3C6.C5(F)(F)F.N34 |
1934591 | CCOc1cc(C(=O)Nc2c(CC)noc2C)cc(Cl)c1O | [C][C][O][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][C][C][=N][O][C][=Ring1][#Branch1][C][=C][C][Branch1][C][Cl][=C][Ring2][Ring1][C][O] | c15cc7cc(Cl)c1O.c16c8noc1C.C37=O.CC4.O45.N36.C8C |
1934592 | CC(Nc1cnn(C(C)(C)C)c1)C(=O)NCc1cccs1 | [C][C][Branch2][Ring1][Ring1][N][C][C][=N][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1] | c15cnn6c1.CC3C2=O.c17cccs1.C6(C)(C)C.N35.N24.C47 |
1934593 | CC(Nc1cnn(C)c1)C(=O)NCc1cccs1 | [C][C][Branch1][N][N][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1] | c15cnn(C)c1.CC3C2=O.c16cccs1.N35.N24.C46 |
1934594 | COc1cccc(CNC(=O)C(C)Nc2cnn(C)c2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=C][Ring2][Ring1][Ring1] | c14cccc8c1.c17cnn(C)c1.C3(=O)C6C.CO4.C58.N35.N67 |
1934595 | CC(Nc1cnn(C(C)(C)C)c1)C(=O)NCc1ccccc1F | [C][C][Branch2][Ring1][Ring1][N][C][C][=N][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] | c17ccccc1F.c15cnn6c1.CC3C2=O.C6(C)(C)C.N35.N24.C47 |
1934596 | CCCn1cc(NC2CCN(c3cnn(C)c3)C2=O)cn1 | [C][C][C][N][C][=C][Branch2][Ring1][=Branch1][N][C][C][C][N][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][Ring1][O][=O][C][=N][Ring2][Ring1][C] | C15CCN7C1=O.n16cc4cn1.c17cnn(C)c1.CCC6.N45 |
1934597 | CCn1cc(NC(C)C(=O)N(C)Cc2c(F)cccc2Cl)cn1 | [C][C][N][C][=C][Branch2][Ring1][O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][C][=N][Ring2][Ring1][Branch1] | c18c(F)cccc1Cl.n17cc6cn1.C4(C)C3=O.N35C.CC7.N46.C58 |
1934598 | CCn1cc(NC(C)c2nc(-c3cccs3)no2)cn1 | [C][C][N][C][=C][Branch2][Ring1][=Branch1][N][C][Branch1][C][C][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][O][Ring1][#Branch2][C][=N][Ring2][Ring1][C] | n16cc5cn1.c17nc8no1.c18cccs1.C47C.CC6.N45 |
1934599 | CC(Nc1cnn(C)c1)C(=O)NCCC1=CCCCC1 | [C][C][Branch1][N][N][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][C][C][C][Ring1][=Branch1] | C4CC1=CCCCC1.c15cnn(C)c1.CC3C2=O.N35.N24 |
1934600 | CCn1cc(NC(C)C(=O)NCc2ccccc2F)cn1 | [C][C][N][C][=C][Branch2][Ring1][Branch1][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=N][Ring2][Ring1][Ring1] | c18ccccc1F.n17cc6cn1.C4(C)C3=O.CC7.N46.N35.C58 |
1934601 | O=C(NCCOCC1CCCO1)NC1Cc2ccccc2C1 | [O][=C][Branch1][=N][N][C][C][O][C][C][C][C][C][O][Ring1][Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2] | C18Cc2ccccc2C1.C19CCCO1.O=C34.C7C5.N37.O56.C69.N48 |
1934602 | CCC(NC(=O)NC1Cc2ccccc2C1)c1c(C)nn(C)c1C | [C][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][C][Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][#Branch1][C] | C16Cc2ccccc2C1.c17c(C)nn(C)c1C.CCC57.C34=O.N35.N46 |
1934603 | Cc1ccc(CNC(=O)NC2CS(=O)(=O)c3ccccc32)s1 | [C][C][=C][C][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][S][Ring2][Ring1][Branch1] | N5C1CS(=O)(=O)c2ccccc21.Cc1ccc7s1.C45=O.C67.N46 |
1934604 | O=C(Nc1cnn(CC2CCCO2)c1)NC1Cc2ccccc2C1 | [O][=C][Branch2][Ring1][Ring1][N][C][C][=N][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][Branch1][C][=Ring1][O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2] | C16Cc2ccccc2C1.c15cnn7c1.C18CCCO1.O=C34.N35.C78.N46 |
1934606 | O=C1CCCc2nc(CCN3CCOC3=O)sc21 | [O][=C][C][C][C][C][N][=C][Branch1][O][C][C][N][C][C][O][C][Ring1][Branch1][=O][S][C][=Ring1][=N][Ring1][P] | O=C1CCCc2nc5sc21.N14CCOC1=O.C5C4 |
1934607 | COc1cc(CNc2nccc(C)c2Cl)ccn1 | [C][O][C][=C][C][Branch1][#C][C][N][C][=N][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][Cl][=C][C][=N][Ring1][S] | c15nccc(C)c1Cl.c13cc6ccn1.CO3.C46.N45 |
1934608 | Cc1ccc(NC(=O)Cc2nc3c(s2)C(=O)CCC3)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][Ring1][Branch2][C][=C][Ring2][Ring1][Ring2] | c16nc2c(s1)C(=O)CCC2.Cc1ccc5cc1.C4(=O)C6.N45 |
1934609 | c1cc(-c2ccnn2CCc2ccc3c(c2)CCO3)ccn1 | [C][=C][C][Branch2][Ring1][=Branch2][C][=C][C][=N][N][Ring1][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][=C][C][=N][Ring2][Ring1][=Branch1] | c15ccc2c(c1)CCO2.c1cc6ccn1.c16ccnn14.C4C5 |
1934610 | NC(=O)Cc1ccccc1OCCc1ccc2c(c1)CCO2 | [N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1] | c16ccc2c(c1)CCO2.c15ccccc14.NC(=O)C5.C3C6.O34 |
1934611 | Cc1noc(C)c1C(C)CC(=O)NC(C)(CO)C1CCCCC1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][Ring1][C][O][C][C][C][C][C][C][Ring1][=Branch1] | Cc1noc(C)c15.C5(C)CC2=O.C14CCCCC1.C34(C)CO.N23 |
1934612 | CCC(NC(=O)c1ccccc1)c1nc(Cn2cncn2)no1 | [C][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][=N][O][Ring1][O] | c15ccccc1.c17nc8no1.n16cncn1.CCC47.C35=O.N34.C68 |
1934613 | CC(C)Oc1cccc(-c2nc(C(C)(C)NS(C)(=O)=O)no2)n1 | [C][C][Branch1][C][C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][=N][C][Branch1][P][C][Branch1][C][C][Branch1][C][C][N][S][Branch1][C][C][=Branch1][C][=O][=O][=N][O][Ring1][=N][=N][Ring2][Ring1][Ring1] | c14cccc8n1.c18nc7no1.C57(C)C.S6(C)(=O)=O.CC3C.O34.N56 |
1934614 | Nc1ncncc1C(=O)NCCc1c[nH]c2ccc(F)cc12 | [N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][NH1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1] | c16c[nH]c2ccc(F)cc12.Nc1ncncc15.C35=O.C4C6.N34 |
1934615 | CN(C(=O)C1CCC(F)(F)CC1)c1nc2ccccc2n1C | [C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C] | c14nc2ccccc2n1C.C15CCC(F)(F)CC1.CN34.C35=O |
1934616 | CN(C(=O)CC1C=CCC1)c1nc2ccccc2n1C | [C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][=C][C][C][Ring1][Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C] | c14nc2ccccc2n1C.C15C=CCC1.C3(=O)C5.CN34 |
1934617 | CN(C(=O)c1ccn(C)c(=O)c1)c1nc2ccccc2n1C | [C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][=C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][Branch2][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C] | c14nc2ccccc2n1C.c15ccn(C)c(=O)c1.CN34.C35=O |
1934618 | CCN(Cc1ccoc1)C(=O)c1cc(Cl)c(O)c(OC)c1 | [C][C][N][Branch1][=Branch2][C][C][C][=C][O][C][=Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] | c16cc3c(O)c(Cl)c1.c17ccoc1.N245.C26=O.CC4.C57.O3C |
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