ID large_stringlengths 1 7 | smiles stringlengths 15 57 | selfies stringlengths 55 294 | safe stringlengths 15 83 |
|---|---|---|---|
1925470 | CC(=O)c1ccc(CNC(=O)c2ccn(-c3ccccc3)n2)nc1C | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][O][N][=C][Ring2][Ring1][Branch1][C] | c17ccc8nc1C.c16ccn9n1.c19ccccc1.CC7=O.C46=O.C58.N45 |
1925471 | CC(=O)c1ccc(CNC(=O)CC2CCCC2)nc1C | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][Branch1][N][=C][Ring1][S][C] | c15ccc6nc1C.C17CCCC1.C3(=O)C7.CC5=O.C46.N34 |
1925472 | Cc1n[nH]c(C)c1C(C)CC(=O)N(C)CC(=O)Nc1cccc(F)c1 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | Cc1n[nH]c(C)c16.c15cccc(F)c1.C6(C)CC2=O.C4C3=O.N24C.N35 |
1925473 | Cc1c(O)cccc1C(=O)NC(C)Cc1cccs1 | [C][C][=C][Branch1][C][O][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][C][=C][S][Ring1][Branch1] | Cc1c4cccc1O.c15cccs1.C3(C)C5.C24=O.N23 |
1925474 | CC1(CNC(C(N)=O)c2cccc(Br)c2)CCCO1 | [C][C][Branch2][Ring1][=Branch1][C][N][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][C][C][O][Ring2][Ring1][C] | c16cccc(Br)c1.CC15CCCO1.C46C(N)=O.C35.N34 |
1925475 | CCCn1c(C)nnc1CSc1nnnn1-c1cc(C)ccc1C | [C][C][C][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C] | c15cc(C)ccc1C.n13c4nnc1C.c16nnnn15.CCC3.C24.S26 |
1925477 | CCCn1c(C)nnc1CSc1nnnn1-c1cccc(F)c1 | [C][C][C][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][C][S][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | n13c4nnc1C.c15cccc(F)c1.c16nnnn15.CCC3.C24.S26 |
1925478 | OCc1ccncc1NCc1cccc(-c2cccnc2)c1 | [O][C][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring1][N] | c15ccncc14.c16cccc7c1.c17cccnc1.OC5.N34.C36 |
1925479 | COCc1ccc(CNc2cc(NC(C)=O)ccc2F)o1 | [C][O][C][C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][C][=C][Ring1][#Branch2][F][O][Ring2][Ring1][C] | c16cc7ccc1F.c18ccc9o1.C3(C)=O.CO4.C48.C59.N56.N37 |
1925480 | Cc1n[nH]c(C(C)C)c1C(=O)NCCc1cccc2cccnc12 | [C][C][=N][NH1][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1] | c17cccc2cccnc12.Cc1n[nH]c6c15.C6(C)C.C35=O.C4C7.N34 |
1925481 | CCCn1c(C)nnc1COC(=O)c1scnc1C | [C][C][C][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][C][O][C][=Branch1][C][=O][C][S][C][=N][C][=Ring1][Branch1][C] | n15c6nnc1C.c14scnc1C.CCC5.C24=O.C36.O23 |
1925482 | O=C(NC1CCN(c2ccc(Cl)c(F)c2)C1)c1cnccn1 | [O][=C][Branch2][Ring1][=Branch2][N][C][C][C][N][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][F][=C][Ring1][Branch2][C][Ring1][=N][C][=C][N][=C][C][=N][Ring1][=Branch1] | c14ccc(Cl)c(F)c1.C15CCN4C1.c16cnccn1.O=C36.N35 |
1925483 | Cc1n[nH]c(C(C)C)c1C(=O)Nc1ccc(OCC2CCCO2)cc1 | [C][C][=N][NH1][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][O][C][C][C][C][C][O][Ring1][Branch1][C][=C][Ring1][=N] | Cc1n[nH]c9c17.c16ccc5cc1.C18CCCO1.C9(C)C.C37=O.N36.O45.C48 |
1925485 | CN(CCC(F)(F)F)C(=O)c1c(O)cnc2ccccc12 | [C][N][Branch1][O][C][C][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=N][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | c15c(O)cnc2ccccc12.C4CC(F)(F)F.CN34.C35=O |
1925487 | COc1cccc(Cn2ccc3ccc(NC(N)=O)cc32)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][N][C][=C][C][=C][C][=C][Branch1][#Branch1][N][C][Branch1][C][N][=O][C][=C][Ring1][#Branch2][Ring1][=N][=C][Ring2][Ring1][Ring2] | n17ccc2ccc6cc21.c15cccc8c1.C4(N)=O.CO5.C78.N46 |
1925488 | COc1cccc(Cn2ccc3ccc(NC(=O)NCCO)cc32)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][N][C][=C][C][=C][C][=C][Branch1][#Branch2][N][C][=Branch1][C][=O][N][C][C][O][C][=C][Ring1][=N][Ring1][S][=C][Ring2][Ring1][#Branch1] | n19ccc2ccc8cc21.c16cccc%10c1.C45=O.C7CO.CO6.C9%10.N48.N57 |
1925489 | CCCC(=O)Nc1ccc(Cl)c(NC(=O)Nc2cnn(C)c2)c1 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][P][N][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=C][Ring1][P] | c16ccc(Cl)c7c1.c18cnn(C)c1.CCCC3=O.C45=O.N36.N47.N58 |
1925490 | Cc1c(C(=O)N(C)c2ccc3c(c2)CCO3)cnn1C1CCCC1 | [C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][C][=N][N][Ring2][Ring1][C][C][C][C][C][C][Ring1][Branch1] | c15ccc2c(c1)CCO2.Cc1c6cnn17.C17CCCC1.C46=O.N45C |
1925491 | O=C(NC1CC1c1ccc(Br)cc1)c1cccc(F)n1 | [O][=C][Branch2][Ring1][C][N][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][C][=C][C][Branch1][C][F][=N][Ring1][#Branch1] | c15ccc(Br)cc1.c14cccc(F)n1.C13CC15.O=C24.N23 |
1925492 | Cc1n[nH]c(C)c1C(C)CC(=O)NC(c1ccccc1)C1CCCO1 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][O][Ring1][Branch1] | Cc1n[nH]c(C)c15.C5(C)CC2=O.c16ccccc1.C14CCCO1.C346.N23 |
1925493 | Cc1cnc(NC(C)c2cccc(S(N)(=O)=O)c2)nc1C | [C][C][=C][N][=C][Branch2][Ring1][Branch2][N][C][Branch1][C][C][C][=C][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Ring1][#Branch2][N][=C][Ring2][Ring1][Ring1][C] | c15cccc(S(N)(=O)=O)c1.Cc1cnc4nc1C.C35C.N34 |
1925496 | CNS(=O)(=O)Cc1cccc(CNc2ncc(C)c(C)n2)c1 | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][P][C][N][C][=N][C][=C][Branch1][C][C][C][Branch1][C][C][=N][Ring1][Branch2][=C][Ring1][S] | c15ncc(C)c(C)n1.c16cccc7c1.S4(=O)(=O)C6.CN4.C37.N35 |
1925497 | CCOCCN(CC)C(=O)c1c(O)cnc2ccccc12 | [C][C][O][C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=N][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] | c18c(O)cnc2ccccc12.C5C6.N367.C38=O.CC4.O45.C7C |
1925498 | CNc1ncc(C(=O)NCC2(c3ccc(C)cc3)CCOCC2)s1 | [C][N][C][=N][C][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][O][C][C][Ring1][=N][S][Ring2][Ring1][=Branch1] | C189CCOCC1.c19ccc(C)cc1.c16ncc7s1.C47=O.CN6.N45.C58 |
1925499 | Cn1cccc1C(=O)Nc1cnccc1SCCCO | [C][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][N][=C][C][=C][Ring1][=Branch1][S][C][C][C][O] | c14cnccc16.Cn1cccc15.C3CCO.C25=O.N24.S36 |
1925500 | Cc1oc(C(N)=O)cc1-c1csc(NC(=O)C(C)n2cccc2)n1 | [C][C][O][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][C][=Ring1][Branch2][C][=C][S][C][Branch1][P][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=C][C][=C][Ring1][Branch1][=N][Ring1][#C] | Cc1oc5cc17.c17csc4n1.C3(=O)C6C.n16cccc1.C5(N)=O.N34 |
1925501 | Cc1ccc(F)c(C(C)OC(=O)c2ccn(C)c(=O)c2)c1 | [C][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][Branch2][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][=C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][Branch2][=C][Ring2][Ring1][Ring2] | Cc1ccc(F)c6c1.c15ccn(C)c(=O)c1.C46C.C35=O.O34 |
1925502 | CCCCOC1CC(N(C)C(=O)c2nc(C)c(C)[nH]c2=O)C1(C)C | [C][C][C][C][O][C][C][C][Branch2][Ring1][Branch2][N][Branch1][C][C][C][=Branch1][C][=O][C][=N][C][Branch1][C][C][=C][Branch1][C][C][NH1][C][Ring1][Branch2][=O][C][Ring1][P][Branch1][C][C][C] | c17nc(C)c(C)[nH]c1=O.C15CC6C1(C)C.CCCC4.N36C.C37=O.O45 |
1925503 | O=C(Nc1nnc(C=Cc2ccco2)s1)c1cscn1 | [O][=C][Branch2][Ring1][Ring2][N][C][=N][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][O][Ring1][Branch1][S][Ring1][N][C][=C][S][C][=N][Ring1][Branch1] | c14nnc(C=6)s1.C=6c1ccco1.c15cscn1.O=C35.N34 |
1925504 | CC(C)c1cc(C(=O)N2CC(CO)OCC2C)n(C)n1 | [C][C][Branch1][C][C][C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][C][O][O][C][C][Ring1][Branch2][C][N][Branch1][C][C][N][=Ring1][P] | N13CC5OCC1C.c16cc4n(C)n1.CC6C.C34=O.C5O |
1925505 | CCc1oc(C(=O)N2CC(CO)OCC2C)cc1C | [C][C][C][O][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][C][O][O][C][C][Ring1][Branch2][C][=C][C][=Ring1][S][C] | N13CC5OCC1C.c16oc4cc1C.C34=O.CC6.C5O |
1925506 | Cc1ccc2cc(C(=O)Nc3cnoc3C)ccc2n1 | [C][C][=C][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=N][O][C][=Ring1][Branch1][C][C][=C][C][Ring1][#C][=N][Ring2][Ring1][Ring1] | Cc1ccc2cc6ccc2n1.c15cnoc1C.C46=O.N45 |
1925507 | Cc1cc(C(=O)Nc2cnoc2C)c(F)cc1F | [C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=N][O][C][=Ring1][Branch1][C][=C][Branch1][C][F][C][=C][Ring1][S][F] | Cc1cc5c(F)cc1F.c14cnoc1C.C35=O.N34 |
1925508 | Cc1oncc1NC(=O)c1ccc(N(C)C)cc1F | [C][C][O][N][=C][C][=Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][F] | c15ccc4cc1F.Cc1oncc13.C25=O.N4(C)C.N23 |
1925509 | Cc1ccc(-c2n[nH]c(NC(=O)c3cnc4ccccn34)c2C)o1 | [C][C][=C][C][=C][Branch2][Ring1][=C][C][=N][NH1][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][=C][Ring1][P][C][O][Ring2][Ring1][#Branch1] | c17cnc2ccccn12.c18n[nH]c6c1C.Cc1ccc8o1.C57=O.N56 |
1925510 | O=C(Nc1cc(O)cc(F)c1)C1CCC(F)(F)CC1 | [O][=C][Branch1][S][N][C][=C][C][Branch1][C][O][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2] | c13cc(O)cc(F)c1.C14CCC(F)(F)CC1.O=C24.N23 |
1925511 | CC(C)c1cc(C(=O)N2CCC(n3ccnn3)CC2)n(C)n1 | [C][C][Branch1][C][C][C][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch2][N][C][=C][N][=N][Ring1][Branch1][C][C][Ring1][O][N][Branch1][C][C][N][=Ring2][Ring1][Ring1] | c16cc5n(C)n1.N14CCC7CC1.n17ccnn1.CC6C.C45=O |
1925513 | O=C(N1CCC(n2ccnn2)CC1)C1(Cc2ccccc2)CCC1 | [O][=C][Branch2][Ring1][C][N][C][C][C][Branch1][Branch2][N][C][=C][N][=N][Ring1][Branch1][C][C][Ring1][O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][O] | N13CCC7CC1.c16ccccc1.n17ccnn1.C145CCC1.O=C34.C56 |
1925514 | O=C(c1ccc(Cl)cn1)N1CCC(n2ccnn2)CC1 | [O][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][N][C][C][C][Branch1][Branch2][N][C][=C][N][=N][Ring1][Branch1][C][C][Ring1][O] | c14ccc(Cl)cn1.N13CCC5CC1.n15ccnn1.O=C34 |
1925515 | Cn1cc(CCC(=O)N2CCC(n3ccnn3)CC2)c2ccccc21 | [C][N][C][=C][Branch2][Ring1][Branch2][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch2][N][C][=C][N][=N][Ring1][Branch1][C][C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch2] | Cn1cc5c2ccccc21.N14CCC6CC1.C5CC4=O.n16ccnn1 |
1925516 | COc1cccc(C(O)C(=O)NC(C#N)c2ccc(F)cc2F)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][O][C][Branch1][C][O][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][#N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][=C][Ring2][Ring1][=Branch1] | c17ccc(F)cc1F.c14cccc6c1.C6(O)C3=O.C57C#N.CO4.N35 |
1925517 | CC(O)C1CCCN(C(=O)COc2ccccc2Br)C1 | [C][C][Branch1][C][O][C][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][Ring1][P] | C16CCCN3C1.c15ccccc1Br.C3(=O)C4.CC6O.O45 |
1925518 | O=C(NCc1cccc(O)c1)C(O)c1cc(Cl)cc(Cl)c1 | [O][=C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][Branch1][C][O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2] | c15cc(Cl)cc(Cl)c1.c14cccc(O)c1.O=C2C5O.N23.C34 |
1925519 | Cc1cc(NC(=O)C2CCCC2C(=O)Nc2cc(C)n(C)n2)nn1C | [C][C][=C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][N][Branch1][C][C][N][=Ring1][#Branch1][=N][N][Ring2][Ring1][#Branch1][C] | Cc1cc5nn1C.c16cc(C)n(C)n1.C17CCCC18.C37=O.C48=O.N35.N46 |
1925520 | C[S+]([O-])c1ccc(NC(=O)C2CCC(F)(F)CC2)cc1F | [C][S+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][C][=C][Ring1][P][F] | C[S+]([O-])c1ccc4cc1F.C15CCC(F)(F)CC1.C35=O.N34 |
1925521 | CN(Cc1nccs1)C(=O)C(O)c1cc(Cl)cc(Cl)c1 | [C][N][Branch1][=Branch2][C][C][=N][C][=C][S][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][C][O][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2] | c15cc(Cl)cc(Cl)c1.c14nccs1.C2(=O)C5O.CN23.C34 |
1925522 | Cc1cncc(C(=O)NC(CC(C)C)c2nc(-c3nc[nH]n3)no2)c1 | [C][C][=C][N][=C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=N][C][Branch1][Branch2][C][N][=C][NH1][N][=Ring1][Branch1][=N][O][Ring1][#Branch2][=C][Ring2][Ring1][Branch2] | Cc1cncc6c1.C57CC(C)C.c17nc8no1.c18nc[nH]n1.C46=O.N45 |
1925523 | CC(C)(O)C1CCCN1C(=O)c1cc(Br)c[nH]1 | [C][C][Branch1][C][C][Branch1][C][O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][NH1][Ring1][=Branch1] | C14CCCN12.c13cc(Br)c[nH]1.CC4(C)O.C23=O |
1925524 | O=C1CC(C(=O)Nc2c(O)c(Cl)cc(Cl)c2Cl)CCN1 | [O][=C][C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][=Branch2][Cl][C][C][N][Ring2][Ring1][Ring1] | c14c(O)c(Cl)cc(Cl)c1Cl.O=C1CC5CCN1.C35=O.N34 |
1925526 | Cc1nncn1-c1cccc(NC(=O)C2OCCc3ccccc32)c1 | [C][C][=N][N][=C][N][Ring1][Branch1][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][Ring2][Ring1][Ring1] | C4(=O)C1OCCc2ccccc21.c16cccc5c1.Cc1nncn16.N45 |
1925527 | COCCC1(C(=O)Nc2cccc(-n3cnnc3C)c2)CC1 | [C][O][C][C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][N][C][=N][N][=C][Ring1][Branch1][C][=C][Ring1][N][C][C][Ring2][Ring1][C] | c16cccc9c1.n19cnnc1C.C178CC1.C5C8.C47=O.CO5.N46 |
1925528 | Cc1ccnc(C(NC(=O)c2ccn3ccnc3c2)C2CC2)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][N][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][N][C][=C][N][=C][Ring1][Branch1][C][=Ring1][=Branch2][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][=Branch1] | c16ccn2ccnc2c1.Cc1ccnc7n1.C578.C46=O.C18CC1.N45 |
1925529 | Cc1ccnc(C(NC(=O)C2CN(C)CCO2)C2CC2)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][=Branch2][C][Branch1][P][N][C][=Branch1][C][=O][C][C][N][Branch1][C][C][C][C][O][Ring1][#Branch1][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][Ring2] | Cc1ccnc6n1.C15CN(C)CCO1.C467.C35=O.C17CC1.N34 |
1925530 | Cc1ccnc(C(NC(=O)Cc2ccc(F)c(F)c2)C2CC2)n1 | [C][C][=C][C][=N][C][Branch2][Ring1][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][=Branch1] | c17ccc(F)c(F)c1.Cc1ccnc5n1.C3(=O)C7.C456.C16CC1.N34 |
1925531 | O=C(CCc1ccncc1)NC1CCN(c2ccc(Cl)c(F)c2)C1 | [O][=C][Branch1][O][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][N][C][C][C][N][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][F][=C][Ring1][Branch2][C][Ring1][=N] | c14ccc(Cl)c(F)c1.c16ccncc1.C15CCN4C1.O=C3CC6.N35 |
1925532 | Cc1ocnc1C(=O)NCc1ccn(-c2ccc(F)cc2)n1 | [C][C][O][C][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=Ring1][N] | c17ccc(F)cc1.Cc1ocnc15.c16ccn7n1.C35=O.N34.C46 |
1925533 | CCC(=O)C1CCCCN1C(=O)Cn1ccc(=O)c2ccccc21 | [C][C][C][=Branch1][C][=O][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] | n15ccc(=O)c2ccccc21.C14CCCCN13.CCC4=O.C3(=O)C5 |
1925534 | Cc1ccccc1C1CCCN1C(=O)CCC(=O)N1CCC(O)CC1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1] | Cc1ccccc14.C2(=O)CCC3=O.N13CCC(O)CC1.C14CCCN12 |
1925535 | CC(C)c1cccc(N(C)C(=O)CCC(=O)N2CCC(O)CC2)c1 | [C][C][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][=C][Ring2][Ring1][Branch1] | c16cccc5c1.C3(=O)CCC4=O.N14CCC(O)CC1.CC6C.N35C |
1925536 | c1ccc(Cc2noc(-c3ccnc(C4CCCC4)n3)n2)cc1 | [C][=C][C][=C][Branch2][Ring1][=N][C][C][=N][O][C][Branch2][Ring1][C][C][=C][C][=N][C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][=N][Ring1][O][=N][Ring1][S][C][=C][Ring2][Ring1][#Branch1] | c17ccnc8n1.c1ccc6cc1.c15noc7n1.C18CCCC1.C56 |
1925537 | COC(=O)c1cc(F)c(C)c(OCc2nnc(-c3occc3C)o2)c1 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][C][C][Branch2][Ring1][Ring2][O][C][C][=N][N][=C][Branch1][=Branch2][C][O][C][=C][C][=Ring1][Branch1][C][O][Ring1][O][=C][Ring2][Ring1][Branch1] | c17cc6c(C)c(F)c1.c18nnc9o1.c19occc1C.C47=O.CO4.O56.C58 |
1925538 | Cc1n[nH]c(C)c1C1COCCN1c1cnc2ccccc2n1 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2] | c13cnc2ccccc2n1.Cc1n[nH]c(C)c14.C14COCCN13 |
1925539 | COc1cc(C(C)Nc2nccc(C)n2)ccc1F | [C][O][C][=C][C][Branch1][P][C][Branch1][C][C][N][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][=C][C][=C][Ring1][S][F] | c13cc6ccc1F.c15nccc(C)n1.C46C.CO3.N45 |
1925540 | Cc1ccc(Br)c(S(=O)(=O)N2CCCC2CO)c1 | [C][C][=C][C][=C][Branch1][C][Br][C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][O][=C][Ring1][P] | Cc1ccc(Br)c(S3(=O)=O)c1.N13CCCC14.C4O |
1925542 | O=C(NCCc1nc2c(s1)CCCC2)NC1CCc2[nH]ncc2C1 | [O][=C][Branch2][Ring1][Ring1][N][C][C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][N][C][C][C][C][NH1][N][=C][C][=Ring1][Branch1][C][Ring1][=Branch2] | c17nc2c(s1)CCCC2.C16CCc2[nH]ncc2C1.O=C34.C5C7.N35.N46 |
1925543 | CCc1ccc(C(=O)N(CC)Cc2ccoc2)cc1S(C)(=O)=O | [C][C][C][=C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][C][=C][O][C][=Ring1][Branch1][C][=C][Ring1][P][S][Branch1][C][C][=Branch1][C][=O][=O] | c17ccc6cc1S(C)(=O)=O.c18ccoc1.C36=O.N345.CC7.C4C.C58 |
1925544 | Cc1cccc(NC(=O)N2CCOCC2c2c(C)n[nH]c2C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] | Cc1cccc5c1.N14CCOCC16.c16c(C)n[nH]c1C.C34=O.N35 |
1925547 | Cc1ccc(NC(=O)N2CCOCC2c2c(C)n[nH]c2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C][C][=C][Ring2][Ring1][=Branch1] | Cc1ccc5cc1.N14CCOCC16.c16c(C)n[nH]c1C.C34=O.N35 |
1925548 | Cc1n[nH]c(C)c1C1COCCN1C(=O)Nc1ccc(F)cc1 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cc1n[nH]c(C)c15.C15COCCN12.c14ccc(F)cc1.C23=O.N34 |
1925549 | Cc1n[nH]c(C)c1C1COCCN1C(=O)Nc1cccc(F)c1 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] | Cc1n[nH]c(C)c15.C15COCCN12.c14cccc(F)c1.C23=O.N34 |
1925551 | Cn1ncc(C(=O)OCC2CNC(=O)C2)c1-n1cccc1 | [C][N][N][=C][C][Branch1][P][C][=Branch1][C][=O][O][C][C][C][N][C][=Branch1][C][=O][C][Ring1][=Branch1][=C][Ring1][#C][N][C][=C][C][=C][Ring1][Branch1] | Cn1ncc5c17.C16CNC(=O)C1.n17cccc1.C35=O.O34.C46 |
1925552 | COCCC1(NC(=O)c2cc(Cl)c3c(c2)OCO3)CCCC1 | [C][O][C][C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][O][Ring1][=Branch1][C][C][C][C][Ring2][Ring1][C] | c17cc(Cl)c2c(c1)OCO2.C168CCCC1.C5C8.C47=O.CO5.N46 |
1925553 | O=C(Cn1ccnn1)NCC1(C2CCCCC2)CCCCC1 | [O][=C][Branch1][=Branch2][C][N][C][=C][N][=N][Ring1][Branch1][N][C][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][C][Ring1][N] | C16(C2CCCCC2)CCCCC1.n15ccnn1.O=C3C5.N34.C46 |
1925554 | Cc1n[nH]c(C)c1C1COCCN1C(=O)c1cc(F)cc(F)c1 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] | c13cc(F)cc(F)c1.Cc1n[nH]c(C)c14.C14COCCN12.C23=O |
1925555 | COc1ccccc1C(=O)N1CCOCC1c1c(C)n[nH]c1C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C] | c13ccccc14.N12CCOCC15.c15c(C)n[nH]c1C.C24=O.CO3 |
1925556 | Cc1n[nH]c(C)c1C1COCCN1C(=O)CCc1ccccc1 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] | Cc1n[nH]c(C)c14.C14COCCN12.c13ccccc1.C2(=O)CC3 |
1925557 | Cc1ccccc1C(=O)N1CCOCC1c1c(C)n[nH]c1C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C] | Cc1ccccc13.N12CCOCC14.c14c(C)n[nH]c1C.C23=O |
1925558 | Cc1ccc(CCC(=O)N2CCOCC2c2c(C)n[nH]c2C)cc1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C][C][=C][Ring2][Ring1][#Branch1] | Cc1ccc4cc1.N13CCOCC15.c15c(C)n[nH]c1C.C4CC3=O |
1925560 | CC(=O)c1ccc(C(=O)N2CCOCC2c2c(C)n[nH]c2C)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C][C][=C][Ring2][Ring1][Branch1] | c14ccc5cc1.N13CCOCC16.c16c(C)n[nH]c1C.CC4=O.C35=O |
1925561 | Cc1n[nH]c(C)c1C1COCCN1C(=O)c1cccc(F)c1F | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F] | c13cccc(F)c1F.Cc1n[nH]c(C)c14.C14COCCN12.C23=O |
1925562 | Cc1n[nH]c(C)c1C1COCCN1C(=O)c1ccc(F)cc1F | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F] | c13ccc(F)cc1F.Cc1n[nH]c(C)c14.C14COCCN12.C23=O |
1925563 | Cc1n[nH]c(C)c1C1COCCN1C(=O)c1ccc(F)c(F)c1 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] | c13ccc(F)c(F)c1.Cc1n[nH]c(C)c14.C14COCCN12.C23=O |
1925564 | COc1ccc(C(=O)N2CCOCC2c2c(C)n[nH]c2C)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C][C][=C][Ring2][Ring1][Branch1] | c14ccc5cc1.N13CCOCC16.c16c(C)n[nH]c1C.C35=O.CO4 |
1925565 | Cc1n[nH]c(C)c1C1COCCN1C(=O)c1cccc2cc[nH]c12 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][C][=C][NH1][C][Ring1][=Branch2][=Ring1][Branch1] | c14cccc2cc[nH]c12.Cc1n[nH]c(C)c15.C15COCCN13.C34=O |
1925566 | Cc1cccc(C(=O)N2CCOCC2c2c(C)n[nH]c2C)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C][=C][Ring2][Ring1][Branch1] | Cc1cccc4c1.N13CCOCC15.c15c(C)n[nH]c1C.C34=O |
1925567 | Cc1n[nH]c(C)c1C1COCCN1C(=O)c1cc(F)ccc1F | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F] | c13cc(F)ccc1F.Cc1n[nH]c(C)c14.C14COCCN12.C23=O |
1925568 | Cc1n[nH]c(C)c1C1COCCN1C(=O)c1ccc(F)cc1 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] | Cc1n[nH]c(C)c14.C14COCCN12.c13ccc(F)cc1.C23=O |
1925569 | Cc1n[nH]c(C)c1C1COCCN1C(=O)c1cccc2cn[nH]c12 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][C][=N][NH1][C][Ring1][=Branch2][=Ring1][Branch1] | c14cccc2cn[nH]c12.Cc1n[nH]c(C)c15.C15COCCN13.C34=O |
1925570 | Cc1ccccc1CCC(=O)N1CCOCC1c1c(C)n[nH]c1C | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C] | Cc1ccccc13.N12CCOCC14.c14c(C)n[nH]c1C.C3CC2=O |
1925571 | Cc1ccc(CCC(=O)N2CCOCC2c2c(C)n[nH]c2C)o1 | [C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Branch1][C][C][=N][NH1][C][=Ring1][=Branch1][C][O][Ring2][Ring1][=Branch1] | N13CCOCC15.c15c(C)n[nH]c1C.Cc1ccc4o1.C4CC3=O |
1925572 | CCC1CN(Cc2ccc(C(N)=O)cc2)CCN1CC(F)F | [C][C][C][C][N][Branch1][P][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][C][N][Ring1][S][C][C][Branch1][C][F][F] | C16CN3CCN14.c17ccc5cc1.C4C(F)F.C5(N)=O.CC6.C37 |
1925573 | Cn1nccc1CNC(=O)CSc1cccc(Br)c1 | [C][N][N][=C][C][=C][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] | c16cccc(Br)c1.Cn1nccc15.C2(=O)C4.C35.N23.S46 |
1925574 | CC(C)(C)n1ncc2c(Oc3ccc4cn[nH]c4c3)ncnc21 | [C][C][Branch1][C][C][Branch1][C][C][N][N][=C][C][=C][Branch1][#C][O][C][=C][C][=C][C][=N][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][N][=C][N][=C][Ring1][S][Ring2][Ring1][Ring1] | n17ncc2c5ncnc21.c16ccc2cn[nH]c2c1.CC7(C)C.O56 |
1925575 | C#CCOCCC(=O)Nc1cccc2oc(C(F)(F)F)nc12 | [C][#C][C][O][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][Ring1][=N][=Ring1][=Branch2] | c16cccc2oc7nc12.C5CC3=O.C7(F)(F)F.C#CC4.O45.N36 |
1925576 | CC(NC(=O)C1CCOC1)C(C)c1ccccc1C(F)(F)F | [C][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][O][C][Ring1][Branch1][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] | c15ccccc16.CC3C5C.C14CCOC1.C6(F)(F)F.C24=O.N23 |
1925577 | CN(c1ccc(Cl)cn1)S(=O)(=O)Cc1cc(C#N)ccc1F | [C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][F] | c14cc(C#N)ccc1F.c13ccc(Cl)cn1.S2(=O)(=O)C4.CN23 |
1925578 | CCN(C(C)c1cccnc1)S(=O)(=O)Cc1c(F)cccc1F | [C][C][N][Branch1][=N][C][Branch1][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F] | c16c(F)cccc1F.c15cccnc1.S4(=O)(=O)C6.N234.C35C.CC2 |
1925579 | CCC(NC(=O)N1CCCN(CC(F)F)CC1)c1noc(C)n1 | [C][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][N][Branch1][#Branch1][C][C][Branch1][C][F][F][C][C][Ring1][O][C][=N][O][C][Branch1][C][C][=N][Ring1][=Branch1] | N13CCCN5CC1.c16noc(C)n1.CCC46.C5C(F)F.C23=O.N24 |
1925580 | CN(C)c1nc(CNC(=O)N2CCCN(CC(F)F)CC2)cs1 | [C][N][Branch1][C][C][C][=N][C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][N][C][C][C][N][Branch1][#Branch1][C][C][Branch1][C][F][F][C][C][Ring1][O][=C][S][Ring2][Ring1][Ring2] | N14CCCN6CC1.c17nc8cs1.C6C(F)F.CN7C.C34=O.C58.N35 |
1925581 | N#CCCCOc1cccnc1NC(=O)c1nc2ccccc2s1 | [N][#C][C][C][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] | c17nc2ccccc2s1.c15cccnc16.N#CCCC4.C37=O.O45.N36 |
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