ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1936509 | COc1ccc(F)cc1C(=O)N(Cc1ccco1)CC1CCCO1 | [C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1] | c13ccc(F)cc16.c18ccco1.C17CCCO1.C26=O.N245.CO3.C48.C57 |
1936510 | COC(=O)c1cccc(C(=O)N(Cc2ccco2)CC2CCCO2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1][=C][Ring2][Ring1][Branch1] | c17cccc8c1.c1%10ccco1.C19CCCO1.C37=O.C48=O.N456.CO3.C5%10.C69 |
1936511 | Cc1cc(=O)c(C#N)cn1-c1ccc(Br)cc1 | [C][C][=C][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][=C][N][Ring1][=Branch2][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | Cc1cc(=O)c(C#N)cn12.c12ccc(Br)cc1 |
1936512 | Cc1cc(=O)c(CC#N)cn1-c1ccc(Br)cc1 | [C][C][=C][C][=Branch1][C][=O][C][Branch1][Ring2][C][C][#N][=C][N][Ring1][#Branch2][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | Cc1cc(=O)c2cn13.c13ccc(Br)cc1.C2C#N |
1936513 | CC(=O)c1cn(-c2ccc(Br)cc2)c(C)cc1=O | [C][C][=Branch1][C][=O][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Branch1][C][C][=C][C][Ring1][=C][=O] | c13cn4c(C)cc1=O.c14ccc(Br)cc1.CC3=O |
1936514 | Cc1cc(=O)c(CC#N)cn1-c1cccc(C(F)(F)F)c1 | [C][C][=C][C][=Branch1][C][=O][C][Branch1][Ring2][C][C][#N][=C][N][Ring1][#Branch2][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] | Cc1cc(=O)c2cn14.c14cccc3c1.C3(F)(F)F.C2C#N |
1936515 | CC(=O)c1cn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O | [C][C][=Branch1][C][=O][C][=C][N][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][Branch1][C][C][=C][C][Ring1][P][=O] | c13cn5c(C)cc1=O.c15cccc4c1.C4(F)(F)F.CC3=O |
1936516 | Cc1cc(C)c(-n2cc(C(C)(C)O)c(=O)cc2C)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][#Branch1][N][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][Ring1][O][C][C][Branch1][C][C][=C][Ring2][Ring1][Ring2] | Cc1cc(C)c4c(C)c1.n14cc3c(=O)cc1C.C3(C)(C)O |
1936517 | CC(=O)c1cn(-c2c(C)cc(C)cc2C)c(C)cc1=O | [C][C][=Branch1][C][=O][C][=C][N][Branch1][S][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][C][Branch1][C][C][=C][C][Ring1][S][=O] | c13cn4c(C)cc1=O.c14c(C)cc(C)cc1C.CC3=O |
1936518 | Cc1cc(=O)c(C(C)(C)O)cn1-c1cccc(F)c1 | [C][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][O][=C][N][Ring1][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | Cc1cc(=O)c2cn13.c13cccc(F)c1.C2(C)(C)O |
1936519 | CNc1nc(-c2sc(-c3ccncc3)nc2C)cs1 | [C][N][C][=N][C][Branch2][Ring1][Ring1][C][S][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][=C][S][Ring1][P] | c15sc6nc1C.c14nc5cs1.c16ccncc1.CN4 |
1936520 | CCNc1nc(-c2sc(-c3ccncc3)nc2C)cs1 | [C][C][N][C][=N][C][Branch2][Ring1][Ring1][C][S][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][=C][S][Ring1][P] | c16sc7nc1C.c15nc6cs1.c17ccncc1.CC4.N45 |
1936521 | CCOc1cccc(C(=O)N(Cc2ccco2)CC2CCCO2)c1 | [C][C][O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1][=C][Ring2][Ring1][Branch1] | c15cccc8c1.c1%10ccco1.C19CCCO1.C38=O.N367.CC4.O45.C6%10.C79 |
1936522 | O=C(c1cncc2ccccc12)N(Cc1ccco1)CC1CCCO1 | [O][=C][Branch1][#C][C][=C][N][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1] | c16cncc2ccccc12.c18ccco1.C17CCCO1.O=C36.N345.C48.C57 |
1936523 | Cc1cnn(CCC(=O)N(Cc2ccco2)CC2CCCO2)c1 | [C][C][C][=N][N][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1][C][=Ring2][Ring1][=Branch1] | Cc1cnn6c1.C6CC3=O.c18ccco1.C17CCCO1.N345.C48.C57 |
1936524 | Cc1ccc(CC(=O)N(Cc2ccco2)CC2CCCO2)s1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][C][C][O][Ring1][Branch1][S][Ring2][Ring1][Branch1] | Cc1ccc7s1.c18ccco1.C16CCCO1.C7C3=O.N345.C48.C56 |
1936525 | O=C(NC1CCc2cc(F)ccc21)C(O)c1ccccc1 | [O][=C][Branch2][Ring1][C][N][C][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1] | N3C1CCc2cc(F)ccc21.c14ccccc1.O=C3C4O |
1936526 | Cc1noc(CCC(=O)NC(C)COc2ccc(F)cc2F)n1 | [C][C][=N][O][C][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=N][Ring2][Ring1][=Branch1] | c15ccc(F)cc1F.Cc1noc7n1.C7CC3=O.C6(C)C4.N36.O45 |
1936527 | CCN(CC)C(=O)c1ccccc1NC(=O)c1ccnc2ccccc12 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c19ccnc2ccccc12.c18ccccc17.N356.C38=O.C49=O.CC5.C6C.N47 |
1936528 | CCN(CC)C(=O)c1ccccc1NC(=O)c1cccc2ncccc12 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c19cccc2ncccc12.c18ccccc17.N356.C38=O.C49=O.CC5.C6C.N47 |
1936529 | Cc1noc(CCC(=O)Nc2ccccc2OCC2CCCCO2)n1 | [C][C][=N][O][C][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][C][C][C][O][Ring1][=Branch1][=N][Ring2][Ring1][Branch2] | c16ccccc15.Cc1noc8n1.C17CCCCO1.C8CC3=O.N36.O45.C47 |
1936530 | CC(NC(=O)C1CCCN1C(=O)C1CC1)c1ccc(F)c(Cl)c1 | [C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2] | c17ccc(F)c(Cl)c1.C15CCCN13.CC47.C25=O.C36=O.C16CC1.N24 |
1936531 | CN(CCC(F)(F)F)C(=O)C1CCCN1C(=O)c1ccco1 | [C][N][Branch1][O][C][C][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1] | C4CC(F)(F)F.C15CCCN13.c16ccco1.CN24.C25=O.C36=O |
1936532 | CN(CCC(F)(F)F)C(=O)c1ccnc2ccccc12 | [C][N][Branch1][O][C][C][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c15ccnc2ccccc12.C4CC(F)(F)F.CN34.C35=O |
1936533 | CN(CCC(F)(F)F)C(=O)c1ccccc1SCC1CCCO1 | [C][N][Branch1][O][C][C][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][C][C][C][O][Ring1][Branch1] | c15ccccc17.C3CC(F)(F)F.C16CCCO1.CN23.C25=O.S47.C46 |
1936534 | CN(CCC(F)(F)F)C(=O)c1ccc(Cl)c2cccnc12 | [C][N][Branch1][O][C][C][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][N][=C][Ring1][O][Ring1][=Branch1] | c15ccc(Cl)c2cccnc12.C4CC(F)(F)F.CN34.C35=O |
1936537 | CCOC(=O)C1(NC(=O)Cc2cn3ccsc3n2)CCCC1 | [C][C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][N][C][=C][S][C][Ring1][Branch1][=N][Ring1][Branch2][C][C][C][C][Ring1][P] | c19cn2ccsc2n1.C178CCCC1.C5(=O)C9.C48=O.CC6.O46.N57 |
1936538 | CCOC(=O)CN(C(=O)c1ccc(-c2ccccc2F)o1)C1CC1 | [C][C][O][C][=Branch1][C][=O][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][O][Ring1][N][C][C][C][Ring1][Ring1] | c19ccccc1F.c18ccc9o1.C3(=O)C6.N467.C48=O.C17CC1.CC5.O35 |
1936539 | CCOC(=O)CN(C(=O)C1(C)CC1(Cl)Cl)C1CC1 | [C][C][O][C][=Branch1][C][=O][C][N][Branch1][P][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Ring1][Ring2][Branch1][C][Cl][Cl][C][C][C][Ring1][Ring1] | C17(C)CC1(Cl)Cl.C2(=O)C5.N356.C37=O.C16CC1.CC4.O24 |
1936540 | CCOC(=O)CN(C(=O)c1ccc(-c2ccc(F)cc2)o1)C1CC1 | [C][C][O][C][=Branch1][C][=O][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring1][N][C][C][C][Ring1][Ring1] | c19ccc(F)cc1.c18ccc9o1.C3(=O)C6.N467.C48=O.C17CC1.CC5.O35 |
1936541 | CCOC(=O)CN(C(=O)c1csc(-c2ccccc2)n1)C1CC1 | [C][C][O][C][=Branch1][C][=O][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][O][C][C][C][Ring1][Ring1] | c18csc9n1.c19ccccc1.C3(=O)C6.N467.C48=O.C17CC1.CC5.O35 |
1936542 | CCOC(=O)CN(C(=O)c1csc(-c2cccs2)n1)C1CC1 | [C][C][O][C][=Branch1][C][=O][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][S][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][C][C][C][Ring1][Ring1] | c18csc9n1.c19cccs1.C3(=O)C6.N467.C48=O.C17CC1.CC5.O35 |
1936543 | CCOC(=O)CN(C(=O)c1cc(C(C)C)nc2onc(C)c12)C1CC1 | [C][C][O][C][=Branch1][C][=O][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][C][O][N][=C][Branch1][C][C][C][Ring1][=N][=Ring1][=Branch1][C][C][C][Ring1][Ring1] | c18cc9nc2onc(C)c12.C3(=O)C6.N467.C48=O.C9(C)C.C17CC1.CC5.O35 |
1936544 | CCOC(=O)CN(C(=O)c1ccc(-n2nc(C)cc2C)nc1)C1CC1 | [C][C][O][C][=Branch1][C][=O][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][N][=C][Ring1][=N][C][C][C][Ring1][Ring1] | c18ccc9nc1.n19nc(C)cc1C.C3(=O)C6.N467.C48=O.C17CC1.CC5.O35 |
1936545 | CCOC(=O)CN(C(=O)Cc1ccc(C)nc1)C1CC1 | [C][C][O][C][=Branch1][C][=O][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][C][C][C][Ring1][Ring1] | c17ccc(C)nc1.C2(=O)C5.C3(=O)C7.N356.C16CC1.CC4.O24 |
1936546 | CC(C)COc1cccc(CNC(=O)C2CCCN2C(=O)C2CC2)c1 | [C][C][Branch1][C][C][C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][Ring2] | c16cccc%10c1.C18CCCN14.CC(C)C5.C38=O.C49=O.C19CC1.O56.C7%10.N37 |
1936547 | Cc1cccc(C(=O)N2CCC(NC(=O)c3ccsc3)CC2)c1O | [C][C][=C][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][C][C][Ring1][=C][=C][Ring2][Ring1][=Branch1][O] | Cc1cccc7c1O.N14CCC6CC1.c18ccsc1.C47=O.C58=O.N56 |
1936548 | COCCOc1ccccc1NC(=O)c1ccnc2ccccc12 | [C][O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c18ccnc2ccccc12.c16ccccc17.C4C5.C38=O.CO4.O56.N37 |
1936549 | COCCOc1ccccc1NC(=O)c1cccc2ncccc12 | [C][O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] | c18cccc2ncccc12.c16ccccc17.C4C5.C38=O.CO4.O56.N37 |
1936550 | CCC(C)C(C)NC(=O)c1ccccc1OCc1noc(C)n1 | [C][C][C][Branch1][C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=N][O][C][Branch1][C][C][=N][Ring1][=Branch1] | c16ccccc14.CCC(C)C5C.c17noc(C)n1.C26=O.N25.O34.C37 |
1936551 | CC1CN(C(=O)c2nc(-c3ccccc3)oc2C2CC2)CC(C)O1 | [C][C][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][O][C][C][C][Ring1][Ring1][C][C][Branch1][C][C][O][Ring2][Ring1][#Branch1] | CC1CN4CC(C)O1.c15nc7oc16.c17ccccc1.C45=O.C16CC1 |
1936553 | O=C(c1nc(-c2ccccc2)oc1C1CC1)N1CCOCC1 | [O][=C][Branch2][Ring1][#Branch1][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][O][C][C][C][Ring1][Ring1][N][C][C][O][C][C][Ring1][=Branch1] | c14nc6oc15.c16ccccc1.N13CCOCC1.O=C34.C15CC1 |
1936554 | O=C(NCc1ccccn1)c1nc(-c2ccccc2)oc1C1CC1 | [O][=C][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][O][C][C][C][Ring1][Ring1] | c15nc8oc17.c16ccccn1.c18ccccc1.O=C35.C17CC1.N34.C46 |
1936555 | O=C(NCc1ccncc1)C1CC1c1ccc(OC(F)(F)F)cc1 | [O][=C][Branch1][O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O] | c17ccc3cc1.c16ccncc1.O3C(F)(F)F.C15CC17.O=C25.N24.C46 |
1936561 | O=C(Nn1cnc2ccccc2c1=O)C1CC1c1ccccc1 | [O][=C][Branch1][P][N][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1] | O=C3Nn1cnc2ccccc2c1=O.c14ccccc1.C13CC14 |
1936562 | CN(C)C(=O)C1CCN(C(=O)C2(C#N)CCCCC2)CC1 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][C][C][C][C][Ring1][Branch2][C][C][Ring1][S] | C16(C#N)CCCCC1.C15CCN4CC1.CN3C.C35=O.C46=O |
1936563 | O=C(NCCNC(=O)C1CC1)c1nc(-c2ccccc2)oc1C1CC1 | [O][=C][Branch1][=C][N][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][O][C][C][C][Ring1][Ring1] | c17nc%10oc19.c1%10ccccc1.O=C37.C5C6.C48=O.C18CC1.C19CC1.N35.N46 |
1936564 | O=C1CSc2ccc(NC(=O)C3CC3c3ccccc3)cc2N1 | [O][=C][C][S][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][N][Ring2][Ring1][=Branch1] | O=C1CSc2ccc5cc2N1.c17ccccc1.C16CC17.C46=O.N45 |
1936567 | O=C(Nc1cccc2cn[nH]c12)c1nc(-c2ccccc2)oc1C1CC1 | [O][=C][Branch1][#C][N][C][=C][C][=C][C][C][=N][NH1][C][Ring1][=Branch2][=Ring1][Branch1][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][O][C][C][C][Ring1][Ring1] | c14cccc2cn[nH]c12.c15nc7oc16.c17ccccc1.O=C35.C16CC1.N34 |
1936568 | O=C(NCCc1ccccn1)c1nc(-c2ccccc2)oc1C1CC1 | [O][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][O][C][C][C][Ring1][Ring1] | c15nc8oc17.c16ccccn1.c18ccccc1.O=C35.C4C6.C17CC1.N34 |
1936569 | COc1cc(CNC(=O)C2CC2c2ccccc2)ccn1 | [C][O][C][=C][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=N][Ring2][Ring1][Ring1] | c14cc7ccn1.c18ccccc1.C16CC18.C36=O.CO4.C57.N35 |
1936571 | CC1CN(C(=O)c2nc(-c3ccccc3)oc2C2CC2)C(C)CO1 | [C][C][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][O][C][C][C][Ring1][Ring1][C][Branch1][C][C][C][O][Ring2][Ring1][#Branch1] | CC1CN4C(C)CO1.c15nc7oc16.c17ccccc1.C45=O.C16CC1 |
1936572 | CC1COCCN1C(=O)c1nc(-c2ccccc2)oc1C1CC1 | [C][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][O][C][C][C][Ring1][Ring1] | CC1COCCN13.c14nc6oc15.c16ccccc1.C34=O.C15CC1 |
1936574 | CC1(C)CN(C(=O)c2nc(-c3ccccc3)oc2C2CC2)CCO1 | [C][C][Branch1][C][C][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][O][C][C][C][Ring1][Ring1][C][C][O][Ring2][Ring1][#Branch1] | CC1(C)CN4CCO1.c15nc7oc16.c17ccccc1.C45=O.C16CC1 |
1936578 | CNC(=O)c1ccc(OC)c(NC(=O)C2(C#N)CCCCC2)c1 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][C][C][C][C][Ring1][Branch2][=C][Ring2][Ring1][Ring1] | c18ccc5c6c1.C17(C#N)CCCCC1.C38=O.C47=O.CN3.O5C.N46 |
1936580 | CCOc1cc(F)ccc1NC(=O)C1(C#N)CCCCC1 | [C][C][O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][C][C][C][C][Ring1][Branch2] | c14cc(F)ccc15.C16(C#N)CCCCC1.C26=O.CC3.O34.N25 |
1936585 | CC(C)COC1CCN(C(=O)C2(C#N)CCCCC2)CC1 | [C][C][Branch1][C][C][C][O][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][C][C][C][C][Ring1][Branch2][C][C][Ring1][S] | C16(C#N)CCCCC1.C15CCN3CC1.CC(C)C4.C36=O.O45 |
1936590 | O=C(c1cccnc1-n1cccn1)N(Cc1ccccc1)CC1CCC1 | [O][=C][Branch1][S][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=N][Ring1][Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][Ring1][Ring2] | c15cccnc18.c17ccccc1.n18cccn1.C16CCC1.O=C25.N234.C37.C46 |
1936591 | Cc1cc(C(=O)N(Cc2ccccc2)CC2CCC2)n(C)n1 | [C][C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][Ring1][Ring2][N][Branch1][C][C][N][=Ring2][Ring1][Branch1] | Cc1cc6n(C)n1.c18ccccc1.C17CCC1.C36=O.N345.C48.C57 |
1936592 | Cc1ccc(CN(C(=O)CC2OC(=O)c3ccccc32)C(C)C)s1 | [C][C][=C][C][=C][Branch2][Ring1][S][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][Branch1][C][C][C][S][Ring2][Ring1][#Branch1] | C4(=O)CC1OC(=O)c2ccccc21.Cc1ccc7s1.N456.C6(C)C.C57 |
1936593 | Cc1ccc(CN(C(=O)c2cc(Cl)ccn2)C(C)C)s1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=N][Ring1][#Branch1][C][Branch1][C][C][C][S][Ring2][Ring1][Ring1] | c16cc(Cl)ccn1.Cc1ccc7s1.N345.C36=O.C5(C)C.C47 |
1936594 | CC(Cc1ccsc1)NC(C)c1ccc(-n2ccnc2)cc1 | [C][C][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][N][C][Branch1][C][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O] | c16ccc7cc1.c15ccsc1.n17ccnc1.CC3C5.C46C.N34 |
1936595 | Cc1ccc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)nc1 | [C][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][O][C][C][C][Ring1][Ring1][N][=C][Ring2][Ring1][#Branch1] | Cc1ccc5nc1.c16nc8oc17.c18ccccc1.C46=O.C17CC1.N45 |
1936596 | Cc1ccnc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)c1 | [C][C][=C][C][=N][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][O][C][C][C][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] | Cc1ccnc5c1.c16nc8oc17.c18ccccc1.C46=O.C17CC1.N45 |
1936597 | Cc1cccnc1NC(=O)c1nc(-c2ccccc2)oc1C1CC1 | [C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][O][C][C][C][Ring1][Ring1] | Cc1cccnc14.c15nc7oc16.c17ccccc1.C35=O.C16CC1.N34 |
1936598 | O=C(Nc1ccccn1)c1nc(-c2ccccc2)oc1C1CC1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][O][C][C][C][Ring1][Ring1] | c15nc7oc16.c14ccccn1.c17ccccc1.O=C35.C16CC1.N34 |
1936599 | Cc1cccc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][O][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][#Branch1] | Cc1cccc5n1.c16nc8oc17.c18ccccc1.C46=O.C17CC1.N45 |
1936600 | Cc1cc(NC(=O)c2nc(-c3ccccc3)oc2C2CC2)no1 | [C][C][=C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][O][C][C][C][Ring1][Ring1][=N][O][Ring2][Ring1][=Branch1] | c16nc8oc17.Cc1cc5no1.c18ccccc1.C46=O.C17CC1.N45 |
1936601 | O=C(Nc1ccncc1)C1CC1c1ccc(OC(F)(F)F)cc1 | [O][=C][Branch1][#Branch2][N][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O] | c16ccc3cc1.c14ccncc1.O3C(F)(F)F.C15CC16.O=C25.N24 |
1936602 | CCOC(=O)CC1CCN(C(=O)C2(C#N)CCCCC2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][C][C][C][C][Ring1][Branch2][C][C][Ring1][S] | C16(C#N)CCCCC1.C17CCN4CC1.C3(=O)C7.C46=O.CC5.O35 |
1936603 | Cn1nccc1CNC(=O)c1nc(-c2ccccc2)oc1C1CC1 | [C][N][N][=C][C][=C][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][O][C][C][C][Ring1][Ring1] | c15nc8oc17.Cn1nccc16.c18ccccc1.C35=O.C17CC1.C46.N34 |
1936604 | O=C(Nc1cn[nH]c1)C1CC1c1ccc(OC(F)(F)F)cc1 | [O][=C][Branch1][=Branch2][N][C][C][=N][NH1][C][=Ring1][Branch1][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O] | c16ccc3cc1.c14cn[nH]c1.O3C(F)(F)F.C15CC16.O=C25.N24 |
1936605 | O=C(NCC(O)c1ccco1)C1CC1c1ccccc1 | [O][=C][Branch1][=C][N][C][C][Branch1][C][O][C][=C][C][=C][O][Ring1][Branch1][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16ccccc1.c15ccco1.C3C5O.C14CC16.O=C24.N23 |
1936606 | O=C(NCc1cnn(Cc2ccccc2)c1)C1CC1c1ccccc1 | [O][=C][Branch2][Ring1][Branch1][N][C][C][C][=N][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][N][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1] | c17cnn6c1.c18ccccc1.c19ccccc1.C15CC19.O=C35.N34.C47.C68 |
1936607 | Cn1cc(CCNC(=O)c2nc(-c3ccccc3)oc2C2CC2)cn1 | [C][N][C][=C][Branch2][Ring1][=C][C][C][N][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][O][C][C][C][Ring1][Ring1][C][=N][Ring2][Ring1][Branch2] | c16nc9oc18.Cn1cc7cn1.c19ccccc1.C7C5.C46=O.C18CC1.N45 |
1936608 | Cc1cccc(CNC(=O)c2nc(-c3ccccc3)oc2C2CC2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][O][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][Branch2] | Cc1cccc7n1.c16nc9oc18.c19ccccc1.C46=O.C18CC1.C57.N45 |
1936610 | Cc1nc(CNC(=O)C2CC2c2ccccc2)oc1C | [C][C][N][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring2][Ring1][C][C] | Cc1nc6oc1C.c17ccccc1.C15CC17.C35=O.C46.N34 |
1936611 | CN(Cc1ccccn1)C(=O)c1nc(-c2ccccc2)oc1C1CC1 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][O][C][C][C][Ring1][Ring1] | c15nc8oc17.c16ccccn1.c18ccccc1.CN34.C35=O.C17CC1.C46 |
1936612 | O=C(c1n[nH]c2c1CCC2)N(Cc1ccccc1)CC1CCC1 | [O][=C][Branch1][=N][C][=N][NH1][C][=C][Ring1][Branch1][C][C][C][Ring1][Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][Ring1][Ring2] | c16n[nH]c2c1CCC2.c18ccccc1.C17CCC1.O=C36.N345.C48.C57 |
1936613 | Cc1ccc(CN(C(=O)C2CCC(C(N)=O)CC2)C(C)C)s1 | [C][C][=C][C][=C][Branch2][Ring1][=C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][C][Ring1][=Branch2][C][Branch1][C][C][C][S][Ring2][Ring1][Branch1] | C16CCC7CC1.Cc1ccc8s1.N345.C36=O.C7(N)=O.C5(C)C.C48 |
1936614 | COCc1ccc(C(=O)NC2CCN(C(=O)OC)CC2)o1 | [C][O][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][C][Ring1][#Branch2][O][Ring2][Ring1][C] | C17CCN5CC1.c19ccc8o1.C48=O.C35=O.CO6.C69.N47.O3C |
1936615 | COc1ccc2c(c1)CN(C(=O)Cn1c(=O)[nH]c3ccccc31)CC2 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][Ring2][Ring1][Ring2] | c15ccc2c(c1)CN4CC2.n16c(=O)[nH]c2ccccc21.C4(=O)C6.CO5 |
1936616 | Cn1cc(C(=O)NCC(O)COc2ccc(C(F)(F)F)cc2)cn1 | [C][N][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=N][Ring2][Ring1][#Branch1] | c15ccc8cc1.Cn1cc7cn1.C6C(O)C4.C8(F)(F)F.C37=O.N36.O45 |
1936617 | CCN(CCNC(=O)NCc1cnc(C)s1)c1cccc(C)c1 | [C][C][N][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][N][C][C][=C][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1] | c18cccc(C)c1.c19cnc(C)s1.N458.C5C6.C23=O.CC4.N26.N37.C79 |
1936618 | Cc1ncc(CNC(=O)NCCSc2ccc(Cl)cc2)s1 | [C][C][=N][C][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][S][Ring2][Ring1][Ring2] | c19ccc(Cl)cc1.Cc1ncc8s1.C34=O.C6C7.C58.N35.N46.S79 |
1936619 | Cc1ncc(CNC(=O)NCCSc2ccccc2)s1 | [C][C][=N][C][=C][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][N][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][Ring1] | Cc1ncc8s1.c19ccccc1.C34=O.C6C7.C58.N35.N46.S79 |
1936620 | Cc1ncc(CNC(=O)NCCCOc2ccccc2)s1 | [C][C][=N][C][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][N][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][Ring2] | Cc1ncc9s1.c16ccccc1.C8CC5.C34=O.C79.N37.N48.O56 |
1936621 | Cc1ncc(CNC(=O)NCCN(C)c2ccccc2)s1 | [C][C][=N][C][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][Ring2] | Cc1ncc9s1.c18ccccc1.C34=O.C6C7.N78C.C59.N35.N46 |
1936622 | Cc1ncc(CNC(=O)NCCCc2nc3ccccc3s2)s1 | [C][C][=N][C][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][N][C][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][S][Ring2][Ring1][=Branch1] | c19nc2ccccc2s1.Cc1ncc8s1.C7CC9.C45=O.C68.N46.N57 |
1936624 | Cc1ncc(CNC(=O)NCC(Nc2ccccc2)C(C)C)s1 | [C][C][=N][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][N][C][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][S][Ring2][Ring1][=Branch1] | Cc1ncc9s1.C6C7C(C)C.c18ccccc1.C34=O.C59.N35.N46.N78 |
1936625 | Cc1ncc(CNC(=O)NCC(C)N(C)c2ccccc2)s1 | [C][C][=N][C][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][Branch1] | Cc1ncc9s1.c18ccccc1.C6C7C.C34=O.N78C.C59.N35.N46 |
1936627 | CCN(CCNC(=O)NCc1cnc(C)s1)c1ccccc1C | [C][C][N][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][N][C][C][=C][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C] | c18ccccc1C.c19cnc(C)s1.N458.C5C6.C23=O.CC4.N26.N37.C79 |
1936628 | Cc1ncc(CNC(=O)NCc2ccc(-n3cccn3)cc2)s1 | [C][C][=N][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][=C][Ring1][O][S][Ring2][Ring1][=Branch1] | c19ccc%10cc1.Cc1ncc8s1.n1%10cccn1.C45=O.C68.N46.N57.C79 |
1936629 | Cc1ncc(CNC(=O)NCCNC(=O)c2cccs2)s1 | [C][C][=N][C][=C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][S][Ring2][Ring1][Ring2] | Cc1ncc%10s1.c19cccs1.C34=O.C7C8.C59=O.C6%10.N36.N47.N58 |
1936630 | Cc1ncc(CNC(=O)NCCCC(=O)NC2CC2)s1 | [C][C][=N][C][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][S][Ring2][Ring1][Ring1] | Cc1ncc9s1.C7CCC5=O.C34=O.C18CC1.C69.N36.N47.N58 |
1936632 | Cc1ncc(CNC(=O)NCc2ncc(-c3ccccc3)o2)s1 | [C][C][=N][C][=C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][N][C][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][S][Ring2][Ring1][=Branch1] | Cc1ncc8s1.c19ncc%10o1.c1%10ccccc1.C45=O.C68.N46.N57.C79 |
1936633 | Cc1ncc(CNC(=O)NCCS(=O)(=O)c2ccccc2)s1 | [C][C][=N][C][=C][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][Branch1] | C6CS(=O)(=O)c1ccccc1.Cc1ncc7s1.C34=O.C57.N35.N46 |
1936634 | COCCOc1ccccc1NC(=O)NCc1nc(C)c(C)o1 | [C][O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][C][=N][C][Branch1][C][C][=C][Branch1][C][C][O][Ring1][#Branch1] | c16ccccc18.c19nc(C)c(C)o1.C4C5.C23=O.CO4.O56.N28.N37.C79 |
1936635 | Cc1ncc(CNC(=O)NCCCOc2c(C)cccc2C)s1 | [C][C][=N][C][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][N][C][C][C][O][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][S][Ring2][Ring1][=Branch1] | c16c(C)cccc1C.Cc1ncc9s1.C8CC5.C34=O.C79.N37.N48.O56 |
1936636 | Cc1ncc(CNC(=O)NCC2CCCC(C)C2)s1 | [C][C][=N][C][=C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][S][Ring2][Ring1][C] | C18CCCC(C)C1.Cc1ncc7s1.C34=O.C57.N35.N46.C68 |
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