EdisonScientific/glyph-datasets huggingface dataset:
SMILES: N#Cc1ccc2c(c1)CN(C1CCNCC1)C(=O)N2
SELFIES: [N][#C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][Branch1][=Branch2][C][C][C][N][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][=C]
InChI: InChI=1S/C14H16N4O/c15-8-10-1-2-13-11(7-10)9-18(14(19)17-13)12-3-5-16-6-4-12/h1-2,7,12,16H,3-6,9H2,(H,17,19)
SMILES: O=C(Cc1ccccc1[N+](=O)[O-])NC1CCN(Cc2ccccc2)CC1
SELFIES: [O][=C][Branch1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N]
InChI: InChI=1S/C20H23N3O3/c24-20(14-17-8-4-5-9-19(17)23(25)26)21-18-10-12-22(13-11-18)15-16-6-2-1-3-7-16/h1-9,18H,10-15H2,(H,21,24)
SMILES: Nc1ccccc1CCNC1CCN(Cc2ccccc2)CC1
SELFIES: [N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N]
InChI: InChI=1S/C20H27N3/c21-20-9-5-4-8-18(20)10-13-22-19-11-14-23(15-12-19)16-17-6-2-1-3-7-17/h1-9,19,22H,10-16,21H2
SMILES: O=C1Nc2ccccc2CCN1C1CCN(Cc2ccccc2)CC1
SELFIES: [O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Ring1][O][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N]
InChI: InChI=1S/C21H25N3O/c25-21-22-20-9-5-4-8-18(20)10-15-24(21)19-11-13-23(14-12-19)16-17-6-2-1-3-7-17/h1-9,19H,10-16H2,(H,22,25)
SMILES: O=C1Nc2ccccc2CCN1C1CCNCC1
SELFIES: [O][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Ring1][O][C][C][C][N][C][C][Ring1][=Branch1]
InChI: InChI=1S/C14H19N3O/c18-14-16-13-4-2-1-3-11(13)7-10-17(14)12-5-8-15-9-6-12/h1-4,12,15H,5-10H2,(H,16,18)
SMILES: O=[N+]([O-])c1ccc(O)cc1CNC1CCN(Cc2ccccc2)CC1
SELFIES: [O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N]
InChI: InChI=1S/C19H23N3O3/c23-18-6-7-19(22(24)25)16(12-18)13-20-17-8-10-21(11-9-17)14-15-4-2-1-3-5-15/h1-7,12,17,20,23H,8-11,13-14H2
SMILES: Nc1ccc(O)cc1CNC1CCN(Cc2ccccc2)CC1
SELFIES: [N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N]
InChI: InChI=1S/C19H25N3O/c20-19-7-6-18(23)12-16(19)13-21-17-8-10-22(11-9-17)14-15-4-2-1-3-5-15/h1-7,12,17,21,23H,8-11,13-14,20H2
SMILES: O=C1Nc2ccc(O)cc2CN1C1CCN(Cc2ccccc2)CC1
SELFIES: [O][=C][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][N][Ring1][O][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N]
InChI: InChI=1S/C20H23N3O2/c24-18-6-7-19-16(12-18)14-23(20(25)21-19)17-8-10-22(11-9-17)13-15-4-2-1-3-5-15/h1-7,12,17,24H,8-11,13-14H2,(H,21,25)
SMILES: O=C1Nc2ccc(O)cc2CN1C1CCNCC1
SELFIES: [O][=C][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][N][Ring1][O][C][C][C][N][C][C][Ring1][=Branch1]
InChI: InChI=1S/C13H17N3O2/c17-11-1-2-12-9(7-11)8-16(13(18)15-12)10-3-5-14-6-4-10/h1-2,7,10,14,17H,3-6,8H2,(H,15,18)
SMILES: COc1cccc([N+](=O)[O-])c1C(=O)NC1CCN(Cc2ccccc2)CC1
SELFIES: [C][O][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N]
InChI: InChI=1S/C20H23N3O4/c1-27-18-9-5-8-17(23(25)26)19(18)20(24)21-16-10-12-22(13-11-16)14-15-6-3-2-4-7-15/h2-9,16H,10-14H2,1H3,(H,21,24)
SMILES: COc1cccc(N)c1CNC1CCN(Cc2ccccc2)CC1
SELFIES: [C][O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][C][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N]
InChI: InChI=1S/C20H27N3O/c1-24-20-9-5-8-19(21)18(20)14-22-17-10-12-23(13-11-17)15-16-6-3-2-4-7-16/h2-9,17,22H,10-15,21H2,1H3
SMILES: COc1cccc2c1NC(=O)N(C1CCN(Cc3ccccc3)CC1)C2
SELFIES: [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][Ring2][Ring1][Ring2]
InChI: InChI=1S/C21H25N3O2/c1-26-19-9-5-8-17-15-24(21(25)22-20(17)19)18-10-12-23(13-11-18)14-16-6-3-2-4-7-16/h2-9,18H,10-15H2,1H3,(H,22,25)
SMILES: COc1cccc2c1NC(=O)N(C1CCNCC1)C2
SELFIES: [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][N][C][C][Ring1][=Branch1][C][Ring1][=N]
InChI: InChI=1S/C14H19N3O2/c1-19-12-4-2-3-10-9-17(14(18)16-13(10)12)11-5-7-15-8-6-11/h2-4,11,15H,5-9H2,1H3,(H,16,18)
SMILES: O=C(NC1CCN(Cc2ccccc2)CC1)c1c(Cl)cccc1[N+](=O)[O-]
SELFIES: [O][=C][Branch2][Ring1][Branch1][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1]
InChI: InChI=1S/C19H20ClN3O3/c20-16-7-4-8-17(23(25)26)18(16)19(24)21-15-9-11-22(12-10-15)13-14-5-2-1-3-6-14/h1-8,15H,9-13H2,(H,21,24)
SMILES: Nc1cccc(Cl)c1CNC1CCN(Cc2ccccc2)CC1
SELFIES: [N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N]
InChI: InChI=1S/C19H24ClN3/c20-18-7-4-8-19(21)17(18)13-22-16-9-11-23(12-10-16)14-15-5-2-1-3-6-15/h1-8,16,22H,9-14,21H2
SMILES: O=C1Nc2c(Cl)cccc2CN1C1CCN(Cc2ccccc2)CC1
SELFIES: [O][=C][N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][C][N][Ring1][O][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N]
InChI: InChI=1S/C20H22ClN3O/c21-18-8-4-7-16-14-24(20(25)22-19(16)18)17-9-11-23(12-10-17)13-15-5-2-1-3-6-15/h1-8,17H,9-14H2,(H,22,25)
SMILES: O=C1Nc2c(Cl)cccc2CN1C1CCNCC1
SELFIES: [O][=C][N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][C][N][Ring1][O][C][C][C][N][C][C][Ring1][=Branch1]
InChI: InChI=1S/C13H16ClN3O/c14-11-3-1-2-9-8-17(13(18)16-12(9)11)10-4-6-15-7-5-10/h1-3,10,15H,4-8H2,(H,16,18)
SMILES: N#Cc1c[nH]c2ccc(Br)cc12
SELFIES: [N][#C][C][=C][NH1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch2][Ring1][#Branch1]
InChI: InChI=1S/C9H5BrN2/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5,12H
SMILES: N#Cc1c[nH]c2ccc(C=O)cc12
SELFIES: [N][#C][C][=C][NH1][C][=C][C][=C][Branch1][Ring1][C][=O][C][=C][Ring1][O][Ring1][Branch2]
InChI: InChI=1S/C10H6N2O/c11-4-8-5-12-10-2-1-7(6-13)3-9(8)10/h1-3,5-6,12H
SMILES: COC(=O)/C(=C/c1ccc2[nH]cc(C#N)c2c1)NC(=O)OCc1ccccc1
SELFIES: [C][O][C][=Branch1][C][=O][/C][=Branch2][Ring1][Ring1][=C][/C][=C][C][=C][NH1][C][=C][Branch1][Ring1][C][#N][C][Ring1][#Branch1][=C][Ring1][O][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C21H17N3O4/c1-27-20(25)19(24-21(26)28-13-14-5-3-2-4-6-14)10-15-7-8-18-17(9-15)16(11-22)12-23-18/h2-10,12,23H,13H2,1H3,(H,24,26)/b19-10-
SMILES: COC(=O)C(N)Cc1ccc2[nH]cc(C#N)c2c1
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][C][=C][NH1][C][=C][Branch1][Ring1][C][#N][C][Ring1][#Branch1][=C][Ring1][O]
InChI: InChI=1S/C13H13N3O2/c1-18-13(17)11(15)5-8-2-3-12-10(4-8)9(6-14)7-16-12/h2-4,7,11,16H,5,15H2,1H3
SMILES: COC(=O)C(Cc1ccc2[nH]cc(C#N)c2c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][C][C][=C][C][=C][NH1][C][=C][Branch1][Ring1][C][#N][C][Ring1][#Branch1][=C][Ring1][O][N][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P]
InChI: InChI=1S/C27H28N6O4/c1-37-25(34)24(13-17-6-7-23-21(12-17)19(14-28)15-29-23)31-26(35)32-10-8-20(9-11-32)33-16-18-4-2-3-5-22(18)30-27(33)36/h2-7,12,15,20,24,29H,8-11,13,16H2,1H3,(H,30,36)(H,31,35)
SMILES: N#Cc1c[nH]c2ccc(CC(NC(=O)N3CCC(N4Cc5ccccc5NC4=O)CC3)C(=O)N3CCC(N4CCCCC4)CC3)cc12
SELFIES: [N][#C][C][=C][NH1][C][=C][C][=C][Branch2][Branch1][#Branch2][C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][C][=C][Ring2][Ring2][=N][Ring2][Ring2][#Branch2]
InChI: InChI=1S/C36H44N8O3/c37-22-27-23-38-32-9-8-25(20-30(27)32)21-33(34(45)42-16-10-28(11-17-42)41-14-4-1-5-15-41)40-35(46)43-18-12-29(13-19-43)44-24-26-6-2-3-7-31(26)39-36(44)47/h2-3,6-9,20,23,28-29,33,38H,1,4-5,10-19,21,24H2,(H,39,47)(H,40,46)
SMILES: CCOC(=O)/C(C)=N/Nc1ccc(Br)cc1C
SELFIES: [C][C][O][C][=Branch1][C][=O][/C][Branch1][C][C][=N][/N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C]
InChI: InChI=1S/C12H15BrN2O2/c1-4-17-12(16)9(3)14-15-11-6-5-10(13)7-8(11)2/h5-7,15H,4H2,1-3H3/b14-9+
SMILES: CCOC(=O)c1cc2cc(Br)cc(C)c2[nH]1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][C][=C][Ring1][Branch2][NH1][Ring1][O]
InChI: InChI=1S/C12H12BrNO2/c1-3-16-12(15)10-6-8-5-9(13)4-7(2)11(8)14-10/h4-6,14H,3H2,1-2H3
SMILES: Cc1cc(Br)cc2cc[nH]c12
SELFIES: [C][C][=C][C][Branch1][C][Br][=C][C][C][=C][NH1][C][Ring1][#Branch2][=Ring1][Branch1]
InChI: InChI=1S/C9H8BrN/c1-6-4-8(10)5-7-2-3-11-9(6)7/h2-5,11H,1H3
SMILES: Cc1cc(Br)cc2c(C=O)c[nH]c12
SELFIES: [C][C][=C][C][Branch1][C][Br][=C][C][C][Branch1][Ring1][C][=O][=C][NH1][C][Ring1][N][=Ring1][#Branch1]
InChI: InChI=1S/C10H8BrNO/c1-6-2-8(11)3-9-7(5-13)4-12-10(6)9/h2-5,12H,1H3
SMILES: Cc1cc(Br)cc2c(C#N)c[nH]c12
SELFIES: [C][C][=C][C][Branch1][C][Br][=C][C][C][Branch1][Ring1][C][#N][=C][NH1][C][Ring1][N][=Ring1][#Branch1]
InChI: InChI=1S/C10H7BrN2/c1-6-2-8(11)3-9-7(4-12)5-13-10(6)9/h2-3,5,13H,1H3
SMILES: Cc1cc(C=O)cc2c(C#N)c[nH]c12
SELFIES: [C][C][=C][C][Branch1][Ring1][C][=O][=C][C][C][Branch1][Ring1][C][#N][=C][NH1][C][Ring1][=N][=Ring1][#Branch1]
InChI: InChI=1S/C11H8N2O/c1-7-2-8(6-14)3-10-9(4-12)5-13-11(7)10/h2-3,5-6,13H,1H3
SMILES: COC(=O)/C(=C/c1cc(C)c2[nH]cc(C#N)c2c1)NC(=O)OCc1ccccc1
SELFIES: [C][O][C][=Branch1][C][=O][/C][=Branch2][Ring1][=Branch1][=C][/C][=C][C][Branch1][C][C][=C][NH1][C][=C][Branch1][Ring1][C][#N][C][Ring1][#Branch1][=C][Ring1][N][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C22H19N3O4/c1-14-8-16(9-18-17(11-23)12-24-20(14)18)10-19(21(26)28-2)25-22(27)29-13-15-6-4-3-5-7-15/h3-10,12,24H,13H2,1-2H3,(H,25,27)/b19-10-
SMILES: COC(=O)C(N)Cc1cc(C)c2[nH]cc(C#N)c2c1
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][C][Branch1][C][C][=C][NH1][C][=C][Branch1][Ring1][C][#N][C][Ring1][#Branch1][=C][Ring1][N]
InChI: InChI=1S/C14H15N3O2/c1-8-3-9(5-12(16)14(18)19-2)4-11-10(6-15)7-17-13(8)11/h3-4,7,12,17H,5,16H2,1-2H3
SMILES: Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2c(C#N)c[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][#Branch2][C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][C][Branch1][Ring1][C][#N][=C][NH1][C][Ring2][Ring2][#C][=Ring1][#Branch1]
InChI: InChI=1S/C37H46N8O3/c1-25-19-26(20-31-28(22-38)23-39-34(25)31)21-33(35(46)43-15-9-29(10-16-43)42-13-5-2-6-14-42)41-36(47)44-17-11-30(12-18-44)45-24-27-7-3-4-8-32(27)40-37(45)48/h3-4,7-8,19-20,23,29-30,33,39H,2,5-6,9-18,21,24H2,1H3,(H,40,48)(H,41,47)
SMILES: Cc1cc(Br)cc(C(C)C)c1N
SELFIES: [C][C][=C][C][Branch1][C][Br][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][#Branch2][N]
InChI: InChI=1S/C10H14BrN/c1-6(2)9-5-8(11)4-7(3)10(9)12/h4-6H,12H2,1-3H3
SMILES: Cc1cc(Br)cc(C(C)C)c1/N=N/SC(C)(C)C
SELFIES: [C][C][=C][C][Branch1][C][Br][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][#Branch2][/N][=N][/S][C][Branch1][C][C][Branch1][C][C][C]
InChI: InChI=1S/C14H21BrN2S/c1-9(2)12-8-11(15)7-10(3)13(12)16-17-18-14(4,5)6/h7-9H,1-6H3/b17-16+
SMILES: CC(C)c1cc(Br)cc2cn[nH]c12
SELFIES: [C][C][Branch1][C][C][C][=C][C][Branch1][C][Br][=C][C][C][=N][NH1][C][Ring1][#Branch2][=Ring1][Branch1]
InChI: InChI=1S/C10H11BrN2/c1-6(2)9-4-8(11)3-7-5-12-13-10(7)9/h3-6H,1-2H3,(H,12,13)
SMILES: CC(C)c1cc(C=O)cc2cn[nH]c12
SELFIES: [C][C][Branch1][C][C][C][=C][C][Branch1][Ring1][C][=O][=C][C][C][=N][NH1][C][Ring1][O][=Ring1][Branch1]
InChI: InChI=1S/C11H12N2O/c1-7(2)10-4-8(6-14)3-9-5-12-13-11(9)10/h3-7H,1-2H3,(H,12,13)
SMILES: COC(=O)/C(=C/c1cc(C(C)C)c2[nH]ncc2c1)NC(=O)OCc1ccccc1
SELFIES: [C][O][C][=Branch1][C][=O][/C][=Branch2][Ring1][=Branch1][=C][/C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][N][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C22H23N3O4/c1-14(2)18-10-16(9-17-12-23-25-20(17)18)11-19(21(26)28-3)24-22(27)29-13-15-7-5-4-6-8-15/h4-12,14H,13H2,1-3H3,(H,23,25)(H,24,27)/b19-11-
SMILES: COC(=O)C(N)Cc1cc(C(C)C)c2[nH]ncc2c1
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][N]
InChI: InChI=1S/C14H19N3O2/c1-8(2)11-5-9(6-12(15)14(18)19-3)4-10-7-16-17-13(10)11/h4-5,7-8,12H,6,15H2,1-3H3,(H,16,17)
SMILES: COC(=O)C(Cc1cc(C(C)C)c2[nH]ncc2c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch1][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][N][N][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P]
InChI: InChI=1S/C28H34N6O4/c1-17(2)22-13-18(12-20-15-29-32-25(20)22)14-24(26(35)38-3)31-27(36)33-10-8-21(9-11-33)34-16-19-6-4-5-7-23(19)30-28(34)37/h4-7,12-13,15,17,21,24H,8-11,14,16H2,1-3H3,(H,29,32)(H,30,37)(H,31,36)
SMILES: CC(C)c1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12
SELFIES: [C][C][Branch1][C][C][C][=C][C][Branch2][Branch1][#Branch2][C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][C][=N][NH1][C][Ring2][Ring2][=N][=Ring1][Branch1]
InChI: InChI=1S/C37H50N8O3/c1-25(2)31-21-26(20-28-23-38-41-34(28)31)22-33(35(46)43-16-10-29(11-17-43)42-14-6-3-7-15-42)40-36(47)44-18-12-30(13-19-44)45-24-27-8-4-5-9-32(27)39-37(45)48/h4-5,8-9,20-21,23,25,29-30,33H,3,6-7,10-19,22,24H2,1-2H3,(H,38,41)(H,39,48)(H,40,47)
SMILES: CCc1cc(Br)cc(CC)c1/N=N/SC(C)(C)C
SELFIES: [C][C][C][=C][C][Branch1][C][Br][=C][C][Branch1][Ring1][C][C][=C][Ring1][=Branch2][/N][=N][/S][C][Branch1][C][C][Branch1][C][C][C]
InChI: InChI=1S/C14H21BrN2S/c1-6-10-8-12(15)9-11(7-2)13(10)16-17-18-14(3,4)5/h8-9H,6-7H2,1-5H3/b17-16+
SMILES: CCc1cc(Br)cc2c(C)n[nH]c12
SELFIES: [C][C][C][=C][C][Branch1][C][Br][=C][C][C][Branch1][C][C][=N][NH1][C][Ring1][O][=Ring1][=Branch1]
InChI: InChI=1S/C10H11BrN2/c1-3-7-4-8(11)5-9-6(2)12-13-10(7)9/h4-5H,3H2,1-2H3,(H,12,13)
SMILES: CCc1cc(C=O)cc2c(C)n[nH]c12
SELFIES: [C][C][C][=C][C][Branch1][Ring1][C][=O][=C][C][C][Branch1][C][C][=N][NH1][C][Ring1][N][=Ring1][=Branch1]
InChI: InChI=1S/C11H12N2O/c1-3-9-4-8(6-14)5-10-7(2)12-13-11(9)10/h4-6H,3H2,1-2H3,(H,12,13)
SMILES: CCc1cc(/C=C(\NC(=O)OCc2ccccc2)C(=O)OC)cc2c(C)n[nH]c12
SELFIES: [C][C][C][=C][C][Branch2][Ring1][#Branch2][/C][=C][Branch1][S][\N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][C][Branch1][C][C][=N][NH1][C][Ring2][Ring1][O][=Ring1][=Branch1]
InChI: InChI=1S/C22H23N3O4/c1-4-17-10-16(11-18-14(2)24-25-20(17)18)12-19(21(26)28-3)23-22(27)29-13-15-8-6-5-7-9-15/h5-12H,4,13H2,1-3H3,(H,23,27)(H,24,25)/b19-12-
SMILES: CCc1cc(CC(N)C(=O)OC)cc2c(C)n[nH]c12
SELFIES: [C][C][C][=C][C][Branch1][N][C][C][Branch1][C][N][C][=Branch1][C][=O][O][C][=C][C][C][Branch1][C][C][=N][NH1][C][Ring1][P][=Ring1][=Branch1]
InChI: InChI=1S/C14H19N3O2/c1-4-10-5-9(7-12(15)14(18)19-3)6-11-8(2)16-17-13(10)11/h5-6,12H,4,7,15H2,1-3H3,(H,16,17)
SMILES: CCc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2c(C)n[nH]c12
SELFIES: [C][C][C][=C][C][Branch2][Branch1][#Branch2][C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][#Branch2][=O][C][C][Ring1][P][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][C][Branch1][C][C][=N][NH1][C][Ring2][Ring2][=C][=Ring1][=Branch1]
InChI: InChI=1S/C37H50N8O3/c1-3-27-21-26(22-31-25(2)40-41-34(27)31)23-33(35(46)43-17-11-29(12-18-43)42-15-7-4-8-16-42)39-36(47)44-19-13-30(14-20-44)45-24-28-9-5-6-10-32(28)38-37(45)48/h5-6,9-10,21-22,29-30,33H,3-4,7-8,11-20,23-24H2,1-2H3,(H,38,48)(H,39,47)(H,40,41)
SMILES: Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NS3(=O)=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][#C][C][C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][Ring1][#Branch2][=Branch1][C][=O][=O][C][C][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][C][=N][NH1][C][Ring2][Ring2][=C][=Ring1][Branch1]
InChI: InChI=1S/C34H46N8O4S/c1-24-19-25(20-27-22-35-37-32(24)27)21-31(33(43)40-15-9-28(10-16-40)39-13-5-2-6-14-39)36-34(44)41-17-11-29(12-18-41)42-23-26-7-3-4-8-30(26)38-47(42,45)46/h3-4,7-8,19-20,22,28-29,31,38H,2,5-6,9-18,21,23H2,1H3,(H,35,37)(H,36,44)
SMILES: CCc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NS3(=O)=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2c(C)n[nH]c12
SELFIES: [C][C][C][=C][C][Branch2][Branch1][#C][C][C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][Ring1][#Branch2][=Branch1][C][=O][=O][C][C][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][C][Branch1][C][C][=N][NH1][C][Ring2][Ring2][#C][=Ring1][=Branch1]
InChI: InChI=1S/C36H50N8O4S/c1-3-27-21-26(22-31-25(2)38-39-34(27)31)23-33(35(45)42-17-11-29(12-18-42)41-15-7-4-8-16-41)37-36(46)43-19-13-30(14-20-43)44-24-28-9-5-6-10-32(28)40-49(44,47)48/h5-6,9-10,21-22,29-30,33,40H,3-4,7-8,11-20,23-24H2,1-2H3,(H,37,46)(H,38,39)
SMILES: COC(=O)C(Cc1cc(C)c2[nH]ncc2c1)NC(=O)N1CCC(N2Cc3cc(C#N)ccc3NC2=O)CC1
SELFIES: [C][O][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][C][=C][C][Branch1][C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring2][N][C][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][N][C][Ring1][N][=O][C][C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C27H29N7O4/c1-16-9-18(11-19-14-29-32-24(16)19)12-23(25(35)38-2)31-26(36)33-7-5-21(6-8-33)34-15-20-10-17(13-28)3-4-22(20)30-27(34)37/h3-4,9-11,14,21,23H,5-8,12,15H2,1-2H3,(H,29,32)(H,30,37)(H,31,36)
SMILES: Cc1cc(CC(NC(=O)N2CCC(N3Cc4cc(C#N)ccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][S][C][C][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring2][N][C][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][N][C][Ring1][N][=O][C][C][Ring2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][C][=N][NH1][C][Ring2][Ring2][#C][=Ring1][Branch1]
InChI: InChI=1S/C36H45N9O3/c1-24-17-26(19-27-22-38-41-33(24)27)20-32(34(46)43-13-7-29(8-14-43)42-11-3-2-4-12-42)40-35(47)44-15-9-30(10-16-44)45-23-28-18-25(21-37)5-6-31(28)39-36(45)48/h5-6,17-19,22,29-30,32H,2-4,7-16,20,23H2,1H3,(H,38,41)(H,39,48)(H,40,47)
SMILES: Cc1cc(CC(NC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][N][C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][N][C][C][C][Branch1][P][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][O][=O][C][C][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][C][=N][NH1][C][Ring2][Ring2][=C][=Ring1][Branch1]
InChI: InChI=1S/C36H48N8O3/c1-25-21-26(22-28-24-37-40-33(25)28)23-32(34(45)42-16-10-29(11-17-42)41-14-5-2-6-15-41)39-35(46)43-18-12-30(13-19-43)44-20-9-27-7-3-4-8-31(27)38-36(44)47/h3-4,7-8,21-22,24,29-30,32H,2,5-6,9-20,23H2,1H3,(H,37,40)(H,38,47)(H,39,46)
SMILES: Cc1cc(CC(NC(=O)N2CCC(N3Cc4cc(O)ccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][#C][C][C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][N][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][N][C][Ring1][O][=O][C][C][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][C][=N][NH1][C][Ring2][Ring2][=C][=Ring1][Branch1]
InChI: InChI=1S/C35H46N8O4/c1-23-17-24(18-25-21-36-39-32(23)25)19-31(33(45)41-13-7-27(8-14-41)40-11-3-2-4-12-40)38-34(46)42-15-9-28(10-16-42)43-22-26-20-29(44)5-6-30(26)37-35(43)47/h5-6,17-18,20-21,27-28,31,44H,2-4,7-16,19,22H2,1H3,(H,36,39)(H,37,47)(H,38,46)
SMILES: COc1cccc2c1NC(=O)N(C1CCN(C(=O)NC(Cc3cc(C)c4[nH]ncc4c3)C(=O)N3CCC(N4CCCCC4)CC3)CC1)C2
SELFIES: [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch2][Branch1][=N][C][C][C][N][Branch2][Ring2][P][C][=Branch1][C][=O][N][C][Branch2][Ring1][C][C][C][=C][C][Branch1][C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][C][C][Ring2][Ring2][Ring1][C][Ring2][Ring2][#Branch2]
InChI: InChI=1S/C36H48N8O4/c1-24-19-25(20-27-22-37-40-32(24)27)21-30(34(45)42-15-9-28(10-16-42)41-13-4-3-5-14-41)38-35(46)43-17-11-29(12-18-43)44-23-26-7-6-8-31(48-2)33(26)39-36(44)47/h6-8,19-20,22,28-30H,3-5,9-18,21,23H2,1-2H3,(H,37,40)(H,38,46)(H,39,47)
SMILES: Cc1cc(CC(NC(=O)N2CCC(N3Cc4cccc(Cl)c4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12
SELFIES: [C][C][=C][C][Branch2][Branch1][#C][C][C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring1][N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][Ring1][O][=O][C][C][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][C][=N][NH1][C][Ring2][Ring2][=C][=Ring1][Branch1]
InChI: InChI=1S/C35H45ClN8O3/c1-23-18-24(19-26-21-37-40-31(23)26)20-30(33(45)42-14-8-27(9-15-42)41-12-3-2-4-13-41)38-34(46)43-16-10-28(11-17-43)44-22-25-6-5-7-29(36)32(25)39-35(44)47/h5-7,18-19,21,27-28,30H,2-4,8-17,20,22H2,1H3,(H,37,40)(H,38,46)(H,39,47)
SMILES: CCc1cc(CC(NC(=O)N2CCC3(CC2)NC(=O)Nc2ccccc23)C(=O)N2CCC(N3CCCCC3)CC2)cc2c(C)n[nH]c12
SELFIES: [C][C][C][=C][C][Branch2][Branch1][O][C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][C][Branch1][C][C][=N][NH1][C][Ring2][Ring2][=N][=Ring1][=Branch1]
InChI: InChI=1S/C36H48N8O3/c1-3-26-21-25(22-28-24(2)40-41-32(26)28)23-31(33(45)43-17-11-27(12-18-43)42-15-7-4-8-16-42)38-35(47)44-19-13-36(14-20-44)29-9-5-6-10-30(29)37-34(46)39-36/h5-6,9-10,21-22,27,31H,3-4,7-8,11-20,23H2,1-2H3,(H,38,47)(H,40,41)(H2,37,39,46)
SMILES: CCc1cc(CC(NC(=O)N2CCC3(CC2)OC(=O)Nc2ccccc23)C(=O)N2CCC(N3CCCCC3)CC2)cc2c(C)n[nH]c12
SELFIES: [C][C][C][=C][C][Branch2][Branch1][O][C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][C][Branch1][C][C][=N][NH1][C][Ring2][Ring2][=N][=Ring1][=Branch1]
InChI: InChI=1S/C36H47N7O4/c1-3-26-21-25(22-28-24(2)39-40-32(26)28)23-31(33(44)42-17-11-27(12-18-42)41-15-7-4-8-16-41)37-34(45)43-19-13-36(14-20-43)29-9-5-6-10-30(29)38-35(46)47-36/h5-6,9-10,21-22,27,31H,3-4,7-8,11-20,23H2,1-2H3,(H,37,45)(H,38,46)(H,39,40)
SMILES: CC(C)(C)OC(=O)Nc1ccccc1F
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
InChI: InChI=1S/C11H14FNO2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8(9)12/h4-7H,1-3H3,(H,13,14)
SMILES: CC(C)(C)OC(=O)Nc1c(F)cccc1C(=O)O
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O]
InChI: InChI=1S/C12H14FNO4/c1-12(2,3)18-11(17)14-9-7(10(15)16)5-4-6-8(9)13/h4-6H,1-3H3,(H,14,17)(H,15,16)