ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
14473 | COc1ccc(Nc2ncnc3[nH]cnc23)c(OC)c1 | [C][O][C][=C][C][=C][Branch1][#C][N][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C] | c16ncnc2[nH]cnc12.c14ccc7c5c1.CO4.N67.O5C |
14474 | COc1ccc(Nc2ncnc3[nH]cnc23)cc1OC | [C][O][C][=C][C][=C][Branch1][#C][N][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring1][S][O][C] | c16ncnc2[nH]cnc12.c14ccc7cc15.CO4.N67.O5C |
14475 | COC(=O)C1CCN(C(=O)CCC2CCCCC2)CC1 | [C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][S] | C15CCN4CC1.C16CCCCC1.C4(=O)CC6.C35=O.CO3 |
14477 | CCOC(=O)C1CCN(C(=O)Cc2ccc(C)cc2)CC1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][Ring1][S] | C16CCN4CC1.c17ccc(C)cc1.C4(=O)C7.C36=O.CC5.O35 |
14478 | CCOC(=O)C1CCCN(C(=O)Cc2ccc(C)cc2)C1 | [C][C][O][C][=Branch1][C][=O][C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring1][S] | C16CCCN4C1.c17ccc(C)cc1.C4(=O)C7.C36=O.CC5.O35 |
14479 | COc1ccc(CCNc2ncnc3[nH]cnc23)cc1OC | [C][O][C][=C][C][=C][Branch1][P][C][C][N][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][C][=C][Ring2][Ring1][C][O][C] | c17ncnc2[nH]cnc12.c14ccc8cc15.C8C6.CO4.N67.O5C |
14481 | COC(=O)NCc1ccc(CNC(=O)OC)cc1 | [C][O][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch2][C][N][C][=Branch1][C][=O][O][C][C][=C][Ring1][N] | c18ccc9cc1.C24=O.C35=O.CO2.N46.C68.C79.N57.O3C |
14482 | O=S(=O)(c1ccccc1)N1CCN(c2ncccn2)CC1 | [O][=S][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N] | O=S3(=O)c1ccccc1.N13CCN4CC1.c14ncccn1 |
14484 | COc1ccccc1CNc1ncnc2[nH]cnc12 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1] | c15ncnc2[nH]cnc12.c13ccccc16.CO3.C46.N45 |
14486 | c1ccc2c(c1)OCC(CNc1ncnc3[nH]cnc13)O2 | [C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][Branch1][S][C][N][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][O][Ring2][Ring1][C] | c1ccc2c(c1)OCC6O2.c15ncnc2[nH]cnc12.C46.N45 |
14487 | COC(=O)Nc1sc(C(=O)N(C)C)c(C)c1C(=O)OC | [C][O][C][=Branch1][C][=O][N][C][S][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Branch1][C][C][C][=Ring1][O][C][=Branch1][C][=O][O][C] | c16sc7c(C)c18.C24=O.C57=O.N5(C)C.C38=O.CO2.N46.O3C |
14488 | NC(=O)CSc1nc2c(c(=O)n1-c1ccccc1)SCC2 | [N][C][=Branch1][C][=O][C][S][C][=N][C][=C][Branch1][S][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][C][Ring1][=C] | c15nc2c(c(=O)n14)SCC2.c14ccccc1.NC(=O)C3.S35 |
14490 | Cc1ccc(-n2c(SCC(N)=O)nc3c(c2=O)SCC3)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][C][=C][Branch1][Branch1][C][Ring1][O][=O][S][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1] | n15c6nc2c(c1=O)SCC2.Cc1ccc5cc1.C4C(N)=O.S46 |
14491 | COc1ccc2c(c1OC)C(=O)N1c3ccccc3COC21 | [C][O][C][=C][C][=C][C][=Branch1][=Branch1][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][Ring1][P][Ring1][#Branch2] | c14ccc2c(c15)C(=O)N1c3ccccc3COC21.CO4.O5C |
14492 | CCSc1nc2c(c(=O)n1-c1ccc(C)cc1)SCC2 | [C][C][S][C][=N][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][S][C][C][Ring1][#C] | c15nc2c(c(=O)n14)SCC2.c14ccc(C)cc1.CC3.S35 |
14493 | COc1ccccc1-n1c(SC)nc2c(c1=O)SCC2 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][Ring1][S][C][=N][C][=C][Branch1][Branch1][C][Ring1][Branch2][=O][S][C][C][Ring1][#Branch1] | n14c5nc2c(c1=O)SCC2.c13ccccc14.CO3.S5C |
14494 | CCOc1ccc(-n2c(SC)nc3c(c2=O)SCC3)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][Branch1][N][C][Branch1][Ring1][S][C][=N][C][=C][Branch1][Branch1][C][Ring1][Branch2][=O][S][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][C] | n16c7nc2c(c1=O)SCC2.c15ccc6cc1.CC4.O45.S7C |
14495 | CCOc1ccc(-n2c(SCC)nc3c(c2=O)SCC3)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][Branch1][Ring2][S][C][C][=N][C][=C][Branch1][Branch1][C][Ring1][=Branch2][=O][S][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1] | n17c8nc2c(c1=O)SCC2.c15ccc7cc1.CC4.O45.S68.C6C |
14496 | CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2 | [C][S][C][=N][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][C][C][Ring1][#C] | c14nc2c(c(=O)n13)SCC2.c13ccc(F)cc1.CS4 |
14497 | O=C1NC(c2ccccn2)Nc2sc3c(c21)CCC3 | [O][=C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][S][C][=C][Branch1][=Branch1][C][=Ring1][Branch1][Ring1][#C][C][C][C][Ring1][=Branch1] | O=C1NC4Nc2sc3c(c21)CCC3.c14ccccn1 |
14498 | CC(C)Sc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2 | [C][C][Branch1][C][C][S][C][=N][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][C][C][Ring1][#C] | c15nc2c(c(=O)n14)SCC2.c14ccc(F)cc1.CC3C.S35 |
14499 | Cn1c(SCC(N)=O)nc2c([nH]c3ccccc32)c1=O | [C][N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=N][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Ring2][Ring1][C][=O] | Cn1c5nc2c([nH]c3ccccc32)c1=O.C4C(N)=O.S45 |
14500 | O=C1NC(c2cccc(F)c2)Nc2sc3c(c21)CCC3 | [O][=C][N][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][S][C][=C][Branch1][=Branch1][C][=Ring1][Branch1][Ring1][S][C][C][C][Ring1][=Branch1] | O=C1NC4Nc2sc3c(c21)CCC3.c14cccc(F)c1 |
14501 | Cc1nn(C)c(-c2nnc(NCC(C)C)s2)c1Cl | [C][C][=N][N][Branch1][C][C][C][Branch1][P][C][=N][N][=C][Branch1][Branch2][N][C][C][Branch1][C][C][C][S][Ring1][#Branch2][=C][Ring1][S][Cl] | Cc1nn(C)c5c1Cl.c15nnc4s1.C3C(C)C.N34 |
14502 | CCOC(=O)c1c(C)nsc1NC(C)c1ccccc1 | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][=N][S][C][=Ring1][=Branch1][N][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | c16c(C)nsc15.c17ccccc1.C26=O.C47C.CC3.O23.N45 |
14503 | CCn1nc(C)c(C2NC(=O)c3ccccc3N2)c1C | [C][C][N][N][=C][Branch1][C][C][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][=C][Ring1][P][C] | C15NC(=O)c2ccccc2N1.n14nc(C)c5c1C.CC4 |
14504 | COc1cc(NCc2cc(F)ccc2F)cc(OC)c1 | [C][O][C][=C][C][Branch1][#C][N][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][C] | c13cc4cc6c1.c17cc(F)ccc1F.CO3.N56.C57.O4C |
14506 | O=S(=O)(NCc1cccnc1)c1ccc(Br)cc1 | [O][=S][=Branch1][C][=O][Branch1][O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] | O=S3(=O)c1ccc(Br)cc1.c14cccnc1.N23.C24 |
14507 | Cc1occc1C(=O)N(Cc1ccccc1)Cc1ccccc1 | [C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1occc15.c16ccccc1.c17ccccc1.C25=O.N234.C36.C47 |
14508 | CCOC(=O)N1CC(C)N(C(=O)OCC)CC1C | [C][C][O][C][=Branch1][C][=O][N][C][C][Branch1][C][C][N][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][C][Ring1][N][C] | N14CC(C)N5CC1C.C24=O.C35=O.CC6.O26.O37.C7C |
14509 | O=C(c1ccc(COCC(F)(F)F)o1)N1CCCCCC1 | [O][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][N][C][O][C][C][Branch1][C][F][Branch1][C][F][F][O][Ring1][N][N][C][C][C][C][C][C][Ring1][#Branch1] | N12CCCCCC1.c15ccc6o1.C4C(F)(F)F.O=C25.C36.O34 |
14510 | O=C(COc1ccccc1F)N1CCc2ccccc2C1 | [O][=C][Branch1][N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N13CCc2ccccc2C1.c15ccccc1F.O=C3C4.O45 |
14511 | CC1CN(C(=O)c2ccncc2)C(C)CN1C(=O)c1ccncc1 | [C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][N][Ring1][#C][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1] | CC1CN3C(C)CN14.c15ccncc1.c16ccncc1.C35=O.C46=O |
14512 | Cc1cc(C(F)(F)F)n2ncc(C(=O)N3CCCCCC3)c2n1 | [C][C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][N][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][#Branch1][=C][Ring1][=C][N][=Ring2][Ring1][=Branch1] | Cc1cc6n2ncc5c2n1.N14CCCCCC1.C6(F)(F)F.C45=O |
14513 | COC(=O)NCc1cccc(CNC(=O)OC)c1 | [C][O][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][=Branch2][C][N][C][=Branch1][C][=O][O][C][=C][Ring1][N] | c18cccc9c1.C24=O.C35=O.CO2.N46.C68.C79.N57.O3C |
14514 | CCN(CC)C(=O)C1c2ccccc2C(=O)N(C)C1c1cccs1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][N][C][=C][C][=C][S][Ring1][Branch1] | C3(=O)C1c2ccccc2C(=O)N(C)C16.c16cccs1.N345.CC4.C5C |
14516 | COc1cccc(NC(=O)C(NC(=O)C2CCC(C)CC2)C(C)C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][Branch1][P][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][Branch1][C][C][C][=C][Ring2][Ring1][#Branch1] | c15cccc7c1.C3(=O)C6C(C)C.C18CCC(C)CC1.C48=O.CO5.N37.N46 |
14517 | COc1ccc(NC(=O)C(NC(=O)C2CCC(C)CC2)C(C)C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][Branch1][P][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][Branch1][C][C][C][C][=C][Ring2][Ring1][#Branch1] | c15ccc7cc1.C3(=O)C6C(C)C.C18CCC(C)CC1.C48=O.CO5.N37.N46 |
14518 | Cc1nn(C)cc1COC(=O)c1c(Cl)cnn1C | [C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=N][N][Ring1][=Branch1][C] | Cc1nn(C)cc15.c14c(Cl)cnn1C.C24=O.C35.O23 |
14519 | O=C(NC1CC1)c1ccc(COc2ccc(F)cc2)o1 | [O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring1][=C] | c15ccc(F)cc1.c17ccc8o1.O=C37.C16CC1.N36.C48.O45 |
14521 | O=C(c1ccc(COc2ccc(F)cc2)o1)n1cccn1 | [O][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring1][=C][N][C][=C][C][=N][Ring1][Branch1] | O=C5n1cccn1.c14ccc(F)cc1.c15ccc6o1.C36.O34 |
14522 | O=C(NC1CC1)c1ccc(Cn2cc(Br)cn2)o1 | [O][=C][Branch1][#Branch1][N][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][N][C][N][C][=C][Branch1][C][Br][C][=N][Ring1][=Branch1][O][Ring1][N] | c15ccc7o1.n16cc(Br)cn1.O=C35.C14CC1.N34.C67 |
14523 | CC(=O)N(C)c1ccc(NC(=O)c2cnn(C)c2)cc1 | [C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][S][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=C][Ring1][#C] | c15ccc6cc1.c17cnn(C)c1.CC3=O.N35C.C47=O.N46 |
14524 | Cc1nn(C)c(C)c1CN(C)S(=O)(=O)c1ccc(F)cc1 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | S3(=O)(=O)c1ccc(F)cc1.Cc1nn(C)c(C)c14.N23C.C24 |
14526 | O=C(Nc1ccon1)c1ccc(COc2ccc3c(c2)CCC3)o1 | [O][=C][Branch1][=Branch2][N][C][C][=C][O][N][=Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][O][Ring1][S] | c16ccc2c(c1)CCC2.c18ccc9o1.c17ccon1.O=C48.N47.C59.O56 |
14527 | CCn1ncc(C(=O)NCc2cccc(C(F)(F)F)c2)c1C | [C][C][N][N][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring1][C] | n16ncc5c1C.c17cccc8c1.C8(F)(F)F.C35=O.CC6.N34.C47 |
14528 | COc1ccccc1CNC(=O)c1ccc(Cn2nc(C)cc2C)o1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][O][Ring1][=N] | c14ccccc19.n17nc(C)cc1C.c16ccc8o1.C36=O.CO4.C59.N35.C78 |
14529 | CCOC(=O)N1CCN(c2nc(C)cc(C(F)(F)F)n2)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=Branch1][C][=N][C][Branch1][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][O][C][C][Ring1][P] | c16nc7cc(C)n1.N14CCN6CC1.C7(F)(F)F.C34=O.CC5.O35 |
14530 | Cc1nn(Cc2ccc(C(=O)NCc3cccnc3)o2)c(C)c1Cl | [C][C][=N][N][Branch2][Ring1][=Branch2][C][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][N][=C][Ring1][=Branch1][O][Ring1][#C][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1][Cl] | Cc1nn7c(C)c1Cl.c18ccc6o1.c19cccnc1.C46=O.C78.N45.C59 |
14531 | Cc1cc(C(F)(F)F)nc(NCc2ccco2)n1 | [C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][=N][Ring1][P] | Cc1cc5nc4n1.c16ccco1.C5(F)(F)F.N34.C36 |
14532 | O=C(c1ccccc1Br)N1CCc2ccccc2C1 | [O][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | N13CCc2ccccc2C1.c14ccccc1Br.O=C34 |
14533 | CCn1cc(CNC(=O)CCc2ccc(OC)cc2)cn1 | [C][C][N][C][=C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=N][Ring2][Ring1][Ring1] | c18ccc4cc1.n16cc7cn1.C3(=O)CC8.CC6.C57.N35.O4C |
14534 | CCSc1c(Cl)cnn(-c2ccccc2)c1=O | [C][C][S][C][=C][Branch1][C][Cl][C][=N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O] | c15c(Cl)cnn4c1=O.c14ccccc1.CC3.S35 |
14537 | CCC(C)NS(=O)(=O)c1cccc2nonc12 | [C][C][C][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1] | S4(=O)(=O)c1cccc2nonc12.CCC3C.N34 |
14538 | O=S(=O)(NC1CCCCCC1)c1cccc2nonc12 | [O][=S][=Branch1][C][=O][Branch1][O][N][C][C][C][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1] | O=S3(=O)c1cccc2nonc12.C14CCCCCC1.N34 |
14539 | Cc1ccc(CNS(=O)(=O)c2cccc3nonc23)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2] | S5(=O)(=O)c1cccc2nonc12.Cc1ccc6cc1.C46.N45 |
14540 | COc1ccccc1CNS(=O)(=O)c1cccc2nonc12 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1] | S5(=O)(=O)c1cccc2nonc12.c13ccccc16.CO3.C46.N45 |
14541 | O=S(=O)(NCc1ccc(F)cc1)c1cccc2nonc12 | [O][=S][=Branch1][C][=O][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1] | O=S4(=O)c1cccc2nonc12.c15ccc(F)cc1.N34.C35 |
14542 | CC1CCCCC1NS(=O)(=O)c1cccc2nonc12 | [C][C][C][C][C][C][C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1] | S3(=O)(=O)c1cccc2nonc12.CC1CCCCC14.N34 |
14543 | CCc1ccc(C(=O)COC(=O)c2cnccn2)cc1 | [C][C][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][=C][Ring2][Ring1][C] | c17ccc6cc1.c15cnccn1.C6(=O)C4.C35=O.CC7.O34 |
14544 | CCN(CC)S(=O)(=O)c1cc(C(N)=O)ccc1C | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][C][=C][Ring1][=Branch2][C] | S4(=O)(=O)c1cc5ccc1C.N234.C5(N)=O.CC2.C3C |
14545 | O=S(=O)(c1cccc2nonc12)N1CCc2ccccc2C1 | [O][=S][=Branch1][C][=O][Branch1][=C][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] | O=S3(=O)c1cccc2nonc12.N13CCc2ccccc2C1 |
14546 | CN(C1CCCCC1)S(=O)(=O)c1cccc2nonc12 | [C][N][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1] | S3(=O)(=O)c1cccc2nonc12.C14CCCCC1.CN34 |
14547 | CC1CC(C)CN(S(=O)(=O)c2cccc3nonc23)C1 | [C][C][C][C][Branch1][C][C][C][N][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1][C][Ring2][Ring1][Ring1] | S4(=O)(=O)c1cccc2nonc12.CC1CC(C)CN4C1 |
14548 | O=S(=O)(c1cccc2nonc12)N1CCCCC1 | [O][=S][=Branch1][C][=O][Branch1][=C][C][=C][C][=C][C][=N][O][N][=C][Ring1][=Branch2][Ring1][Branch1][N][C][C][C][C][C][Ring1][=Branch1] | O=S3(=O)c1cccc2nonc12.N13CCCCC1 |
14552 | Cc1ccn(C(=O)COc2ccccc2Cl)n1 | [C][C][C][=C][N][Branch1][S][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][=Ring1][S] | Cc1ccn(C(=O)C3)n1.c14ccccc1Cl.O34 |
14553 | CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2C)CC1 | [C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][C][C][Ring2][Ring1][C] | S6(=O)(=O)c1ccc(C)c(C)c1C.N14CCN6CC1.C34=O.CC5.O35 |
14554 | Nc1nc(-c2ccco2)nn1C(=O)Cc1ccccc1 | [N][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring1][#Branch2][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Nc1nc4nn1C(=O)C3.c13ccccc1.c14ccco1 |
14555 | Nc1nc(-c2ccco2)nn1C(=O)CCc1ccccc1 | [N][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][N][Ring1][#Branch2][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Nc1nc4nn1C(=O)CC3.c13ccccc1.c14ccco1 |
14556 | CCn1cc(C(=O)Nc2ccccc2OC)c(=O)c2ccc(C)nc21 | [C][C][N][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][Ring2][Ring1][#Branch1] | n17cc6c(=O)c2ccc(C)nc21.c15ccccc14.C36=O.CC7.N35.O4C |
14557 | CCn1cc(C(=O)Nc2cccc(OC)c2)c(=O)c2ccc(C)nc21 | [C][C][N][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][Ring2][Ring1][#Branch1] | n17cc6c(=O)c2ccc(C)nc21.c15cccc4c1.C36=O.CC7.N35.O4C |
14558 | CCn1cc(C(=O)NC2CCCCCC2)c(=O)c2ccc(C)nc21 | [C][C][N][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][Ring2][Ring1][=Branch1] | n16cc5c(=O)c2ccc(C)nc21.C14CCCCCC1.C35=O.CC6.N34 |
14559 | CCn1cc(C(=O)NC2CCCCC2)c(=O)c2ccc(C)nc21 | [C][C][N][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][Ring2][Ring1][Branch1] | n16cc5c(=O)c2ccc(C)nc21.C14CCCCC1.C35=O.CC6.N34 |
14560 | CCn1cc(C(=O)NCc2ccc(F)cc2)c(=O)c2ccc(C)nc21 | [C][C][N][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][Ring2][Ring1][#Branch1] | n16cc5c(=O)c2ccc(C)nc21.c17ccc(F)cc1.C35=O.CC6.N34.C47 |
14561 | CCn1cc(C(=O)N2CCCCC2C)c(=O)c2ccc(C)nc21 | [C][C][N][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][Ring2][Ring1][Branch1] | n15cc4c(=O)c2ccc(C)nc21.N13CCCCC1C.C34=O.CC5 |
14562 | CCn1cc(C(=O)Nc2cccc(Cl)c2)c(=O)c2ccc(C)nc21 | [C][C][N][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][Ring2][Ring1][=Branch1] | n16cc5c(=O)c2ccc(C)nc21.c14cccc(Cl)c1.C35=O.CC6.N34 |
14563 | COc1ccc(NC(=O)CCS(=O)(=O)c2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2] | C3(=O)CCS(=O)(=O)c1ccccc1.c14ccc5cc1.CO4.N35 |
14564 | COc1ccccc1CNc1ncnc2sc(C)c(C)c12 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][Ring1][O][=Ring1][#Branch1] | c15ncnc2sc(C)c(C)c12.c13ccccc16.CO3.C46.N45 |
14565 | Cc1cccc(NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][N][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Ring1][O][=O][=N][Ring2][Ring1][=Branch1] | n16cnc2sc(C)c(C)c2c1=O.Cc1cccc5n1.C4(=O)C6.N45 |
14566 | CCC(C)NC(=O)Cn1cnc2sc(C)c(C)c2c1=O | [C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=N][C][S][C][Branch1][C][C][=C][Branch1][C][C][C][=Ring1][#Branch1][C][Ring1][O][=O] | n15cnc2sc(C)c(C)c2c1=O.CCC4C.C3(=O)C5.N34 |
14567 | Cc1sc2ncn(CC(=O)N(C)Cc3ccccc3)c(=O)c2c1C | [C][C][S][C][N][=C][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring2][Ring1][Ring1][C][=Ring2][Ring1][=Branch1][C] | Cc1sc2ncn6c(=O)c2c1C.c17ccccc1.C6C4=O.N45C.C57 |
14568 | CCOC(=O)c1sc2ncn(Cc3ccncc3)c(=O)c2c1C | [C][C][O][C][=Branch1][C][=O][C][S][C][N][=C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][=C][C][=Ring1][P][C] | c16sc2ncn7c(=O)c2c1C.c18ccncc1.C46=O.CC5.O45.C78 |
14569 | CC1CCN(C(=O)CCNC(=O)c2cccs2)CC1 | [C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring2][Ring1][C] | CC1CCN3CC1.C3(=O)CC5.c16cccs1.C46=O.N45 |
14571 | Cc1nc(N2CCC(C)CC2)c2c(C)c(C)sc2n1 | [C][C][=N][C][Branch1][N][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][=C][C][Branch1][C][C][=C][Branch1][C][C][S][C][Ring1][#Branch1][=N][Ring2][Ring1][C] | Cc1nc3c2c(C)c(C)sc2n1.N13CCC(C)CC1 |
14572 | Cc1nc(N2CCCC2)c2c3c(sc2n1)CCC3 | [C][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][C][=C][Branch1][Branch2][S][C][Ring1][Branch1][=N][Ring1][=C][C][C][C][Ring1][Branch2] | Cc1nc4c2c3c(sc2n1)CCC3.N14CCCC1 |
14574 | O=S(=O)(NCc1ccccn1)c1ccc2c(c1)OCCO2 | [O][=S][=Branch1][C][=O][Branch1][O][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1] | O=S4(=O)c1ccc2c(c1)OCCO2.c15ccccn1.N34.C35 |
14576 | COc1ccccc1CNc1nc(C)nc2sc3c(c12)CCC3 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][Branch1][C][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][#Branch2][=Ring1][Branch1][C][C][C][Ring1][=Branch1] | c16nc(C)nc2sc3c(c12)CCC3.c14ccccc17.CO4.C57.N56 |
14577 | Cc1sc2nc(C)n(Cc3c(F)cccc3F)c(=O)c2c1C | [C][C][S][C][N][=C][Branch1][C][C][N][Branch1][=C][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][C][=Branch1][C][=O][C][=Ring1][P][C][=Ring2][Ring1][Ring2][C] | Cc1sc2nc(C)n4c(=O)c2c1C.c15c(F)cccc1F.C45 |
14579 | CCOC(=O)c1cnn(-c2cccc(Cl)c2)c1N | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Ring1][N][N] | c15cnn6c1N.c16cccc(Cl)c1.C35=O.CC4.O34 |
14580 | CC(=O)Oc1ccc(C2OC(=O)c3ccccc3N2C(C)=O)cc1 | [C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][Branch1][C][C][=O][C][=C][Ring2][Ring1][Ring2] | C17OC(=O)c2ccccc2N15.c16ccc7cc1.CC4=O.C5(C)=O.O46 |
14581 | Cc1ccccc1NC(=O)CC(O)(C(F)(F)F)C(F)(F)F | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F] | C2(=O)CC(O)(C(F)(F)F)C(F)(F)F.Cc1ccccc13.N23 |
14582 | CCOC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C | [C][C][O][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][Cl][=C][Ring1][#Branch2][C] | n14nc5c(Cl)c1C.C2(=O)C4.C5(F)(F)F.CC3.O23 |
14583 | CCOc1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 | [C][C][O][C][=N][C][=N][C][=C][Ring1][=Branch1][S][C][=N][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2] | c15ncnc2c1sc1nc3c(cc12)COC(C)(C)C3.CC4.O45 |
14584 | COC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)CS2 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][S][Ring1][S] | c14ccc2c(c1)N(C5)C(=O)CS2.c15ccc(F)cc1.C34=O.CO3 |
14585 | CC1(C)Cc2nc3sc4c(OCC(N)=O)ncnc4c3cc2CO1 | [C][C][Branch1][C][C][C][C][=N][C][S][C][=C][Branch1][Branch2][O][C][C][Branch1][C][N][=O][N][=C][N][=C][Ring1][O][C][=Ring1][=C][C][=C][Ring2][Ring1][C][C][O][Ring2][Ring1][#Branch1] | CC1(C)Cc2nc3sc4c6ncnc4c3cc2CO1.C5C(N)=O.O56 |
14586 | COC(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCCC3)cc2c1=O | [C][O][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][=C][C][Ring2][Ring1][C][=O] | c16c[nH]c2ccc(S5(=O)=O)cc2c1=O.N15CCCC1.C46=O.CO4 |
14587 | COc1ccc(C2(C(=O)NCc3ccccc3)CCOCC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][C][Ring1][S][C][=C][Ring2][Ring1][=Branch1] | c15ccc9cc1.C179CCOCC1.c18ccccc1.C47=O.CO5.N46.C68 |
14588 | COc1ccc(NC(=O)C2CCOC(C)(C)C2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][C][=C][Ring1][P] | C16CCOC(C)(C)C1.c14ccc5cc1.C36=O.CO4.N35 |
14589 | CCN(CC)C(=O)CC(c1ccc(F)cc1)c1ccco1 | [C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][=C][O][Ring1][Branch1] | c16ccc(F)cc1.C2(=O)CC56.c15ccco1.N234.CC3.C4C |
14590 | Cc1ccccc1OCCn1cnc2c(N)ncnc21 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2] | n15cnc2c(N)ncnc21.Cc1ccccc14.C3C5.O34 |
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