EdisonScientific/glyph-datasets huggingface dataset:
SMILES: [N-]=[N+]=Nc1cnn(-c2ccc(Cl)cc2)c(=O)c1Oc1ccc(-c2ccc(F)cc2F)cc1
SELFIES: [N-1][=N+1][=N][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][=C][O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][Ring1][=C]
InChI: InChI=1S/C22H12ClF2N5O2/c23-14-3-6-16(7-4-14)30-22(31)21(20(12-27-30)28-29-26)32-17-8-1-13(2-9-17)18-10-5-15(24)11-19(18)25/h1-12H
SMILES: C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1
SELFIES: [C][C@@H1][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][N][Ring1][=N]
InChI: InChI=1S/C10H20N2O2/c1-8-7-12(6-5-11-8)9(13)14-10(2,3)4/h8,11H,5-7H2,1-4H3/t8-/m1/s1
SMILES: CC(C)(C)OC(=O)NC1CCNCC1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][N][C][C][Ring1][=Branch1]
InChI: InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-4-6-11-7-5-8/h8,11H,4-7H2,1-3H3,(H,12,13)
SMILES: O=c1c(Cl)c(N2CCC3(CC2)OCCO3)cnn1-c1ccc(Cl)cc1
SELFIES: [O][=C][C][Branch1][C][Cl][=C][Branch1][P][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=N][N][Ring1][P][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C17H17Cl2N3O3/c18-12-1-3-13(4-2-12)22-16(23)15(19)14(11-20-22)21-7-5-17(6-8-21)24-9-10-25-17/h1-4,11H,5-10H2
SMILES: O=c1c(Oc2ccc(Br)cc2)c(N2CCN(CCO)CC2)cnn1-c1ccc(Cl)cc1
SELFIES: [O][=C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][Branch1][=C][N][C][C][N][Branch1][Ring2][C][C][O][C][C][Ring1][=Branch2][C][=N][N][Ring2][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C22H22BrClN4O3/c23-16-1-7-19(8-2-16)31-21-20(27-11-9-26(10-12-27)13-14-29)15-25-28(22(21)30)18-5-3-17(24)4-6-18/h1-8,15,29H,9-14H2
SMILES: O=c1c(Cl)c(-n2ccnc2)cnn1-c1cccc(C(F)(F)F)c1
SELFIES: [O][=C][C][Branch1][C][Cl][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=N][N][Ring1][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2]
InChI: InChI=1S/C14H8ClF3N4O/c15-12-11(21-5-4-19-8-21)7-20-22(13(12)23)10-3-1-2-9(6-10)14(16,17)18/h1-8H
SMILES: O=c1c(Cl)c(-n2ccnc2)cnn1-c1ccccc1
SELFIES: [O][=C][C][Branch1][C][Cl][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=N][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
InChI: InChI=1S/C13H9ClN4O/c14-12-11(17-7-6-15-9-17)8-16-18(13(12)19)10-4-2-1-3-5-10/h1-9H
SMILES: Cc1ccc(-n2ncc(-n3ccnc3)c(Cl)c2=O)cc1
SELFIES: [C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][N][=C][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=C][Branch1][C][Cl][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C14H11ClN4O/c1-10-2-4-11(5-3-10)19-14(20)13(15)12(8-17-19)18-7-6-16-9-18/h2-9H,1H3
SMILES: O=c1c(Cl)c(-n2ccnc2)cnn1-c1ccc(Cl)cc1
SELFIES: [O][=C][C][Branch1][C][Cl][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=N][N][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C13H8Cl2N4O/c14-9-1-3-10(4-2-9)19-13(20)12(15)11(7-17-19)18-6-5-16-8-18/h1-8H
SMILES: O=c1c(Cl)c(-n2ccnc2)cnn1-c1cccc(Cl)c1
SELFIES: [O][=C][C][Branch1][C][Cl][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=N][N][Ring1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]
InChI: InChI=1S/C13H8Cl2N4O/c14-9-2-1-3-10(6-9)19-13(20)12(15)11(7-17-19)18-5-4-16-8-18/h1-8H
SMILES: CCOC(=O)c1ccc(-n2ncc(-n3ccnc3)c(Cl)c2=O)cc1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][N][=C][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=C][Branch1][C][Cl][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C16H13ClN4O3/c1-2-24-16(23)11-3-5-12(6-4-11)21-15(22)14(17)13(9-19-21)20-8-7-18-10-20/h3-10H,2H2,1H3
SMILES: CC(C)(C)c1ccc(-n2ncc(-n3ccnc3)c(Cl)c2=O)cc1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][N][=C][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=C][Branch1][C][Cl][C][Ring1][N][=O][C][=C][Ring2][Ring1][Ring1]
InChI: InChI=1S/C17H17ClN4O/c1-17(2,3)12-4-6-13(7-5-12)22-16(23)15(18)14(10-20-22)21-9-8-19-11-21/h4-11H,1-3H3
SMILES: O=c1c(Cl)c(-n2ccnc2)cnn1-c1ccccc1Cl
SELFIES: [O][=C][C][Branch1][C][Cl][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=N][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl]
InChI: InChI=1S/C13H8Cl2N4O/c14-9-3-1-2-4-10(9)19-13(20)12(15)11(7-17-19)18-6-5-16-8-18/h1-8H
SMILES: O=c1c(Cl)c(-n2ccnc2)cnn1-c1cccc(F)c1
SELFIES: [O][=C][C][Branch1][C][Cl][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=N][N][Ring1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1]
InChI: InChI=1S/C13H8ClFN4O/c14-12-11(18-5-4-16-8-18)7-17-19(13(12)20)10-3-1-2-9(15)6-10/h1-8H
SMILES: O=c1c(Cl)c(-n2ccnc2)cnn1-c1ccc(F)cc1
SELFIES: [O][=C][C][Branch1][C][Cl][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=N][N][Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C13H8ClFN4O/c14-12-11(18-6-5-16-8-18)7-17-19(13(12)20)10-3-1-9(15)2-4-10/h1-8H
SMILES: O=c1c(Cl)c(-n2ccnc2)cnn1-c1ccc([N+](=O)[O-])cc1
SELFIES: [O][=C][C][Branch1][C][Cl][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=N][N][Ring1][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]
InChI: InChI=1S/C13H8ClN5O3/c14-12-11(17-6-5-15-8-17)7-16-18(13(12)20)9-1-3-10(4-2-9)19(21)22/h1-8H
SMILES: O=c1c(Oc2ccc(Br)cc2)c(-n2ccnc2)cnn1-c1ccc(Cl)cc1
SELFIES: [O][=C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=N][N][Ring2][Ring1][Ring1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C19H12BrClN4O2/c20-13-1-7-16(8-2-13)27-18-17(24-10-9-22-12-24)11-23-25(19(18)26)15-5-3-14(21)4-6-15/h1-12H
SMILES: Cc1ccc(-n2ncc(-n3ccnc3)c(Oc3ccc(Br)cc3)c2=O)cc1
SELFIES: [C][C][=C][C][=C][Branch2][Ring2][C][N][N][=C][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring1][=O][C][=C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C20H15BrN4O2/c1-14-2-6-16(7-3-14)25-20(26)19(27-17-8-4-15(21)5-9-17)18(12-23-25)24-11-10-22-13-24/h2-13H,1H3
SMILES: CCOC(=O)c1ccc(-n2ncc(-n3ccnc3)c(Oc3ccc(Br)cc3)c2=O)cc1
SELFIES: [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][C][N][N][=C][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring1][=O][C][=C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C22H17BrN4O4/c1-2-30-22(29)15-3-7-17(8-4-15)27-21(28)20(31-18-9-5-16(23)6-10-18)19(13-25-27)26-12-11-24-14-26/h3-14H,2H2,1H3
SMILES: O=c1c(Oc2ccc(Br)cc2)c(-n2ccnc2)cnn1-c1cccc(C(F)(F)F)c1
SELFIES: [O][=C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=N][N][Ring2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2]
InChI: InChI=1S/C20H12BrF3N4O2/c21-14-4-6-16(7-5-14)30-18-17(27-9-8-25-12-27)11-26-28(19(18)29)15-3-1-2-13(10-15)20(22,23)24/h1-12H
SMILES: CC(C)(C)c1ccc(-n2ncc(-n3ccnc3)c(Oc3ccc(Br)cc3)c2=O)cc1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][C][N][N][=C][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring1][=O][C][=C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C23H21BrN4O2/c1-23(2,3)16-4-8-18(9-5-16)28-22(29)21(30-19-10-6-17(24)7-11-19)20(14-26-28)27-13-12-25-15-27/h4-15H,1-3H3
SMILES: O=c1c(Oc2ccc(Br)cc2)c(-n2ccnc2)cnn1-c1ccc(F)cc1
SELFIES: [O][=C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=N][N][Ring2][Ring1][Ring1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C19H12BrFN4O2/c20-13-1-7-16(8-2-13)27-18-17(24-10-9-22-12-24)11-23-25(19(18)26)15-5-3-14(21)4-6-15/h1-12H
SMILES: CC(C)(C)OC(=O)N1CCN(c2cnn(-c3ccc(Cl)cc3)c(=O)c2Oc2ccc(Br)cc2)CC1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][Branch1][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][=C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][N]
InChI: InChI=1S/C25H26BrClN4O4/c1-25(2,3)35-24(33)30-14-12-29(13-15-30)21-16-28-31(19-8-6-18(27)7-9-19)23(32)22(21)34-20-10-4-17(26)5-11-20/h4-11,16H,12-15H2,1-3H3
SMILES: O=c1c(Oc2ccc(Br)cc2)c(N2CCNCC2)cnn1-c1ccc(Cl)cc1
SELFIES: [O][=C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][=N][N][Ring2][Ring1][Ring2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C20H18BrClN4O2/c21-14-1-7-17(8-2-14)28-19-18(25-11-9-23-10-12-25)13-24-26(20(19)27)16-5-3-15(22)4-6-16/h1-8,13,23H,9-12H2
SMILES: O=C1CN(c2cnn(-c3ccc(Cl)cc3)c(=O)c2Oc2ccc(Br)cc2)CCN1
SELFIES: [O][=C][C][N][Branch2][Ring2][Branch1][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][=C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][N][Ring2][Ring1][N]
InChI: InChI=1S/C20H16BrClN4O3/c21-13-1-7-16(8-2-13)29-19-17(25-10-9-23-18(27)12-25)11-24-26(20(19)28)15-5-3-14(22)4-6-15/h1-8,11H,9-10,12H2,(H,23,27)
SMILES: CC(=O)N1CCN(c2cnn(-c3ccc(Cl)cc3)c(=O)c2Oc2ccc(Br)cc2)CC1
SELFIES: [C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][Branch1][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][=C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][N]
InChI: InChI=1S/C22H20BrClN4O3/c1-15(29)26-10-12-27(13-11-26)20-14-25-28(18-6-4-17(24)5-7-18)22(30)21(20)31-19-8-2-16(23)3-9-19/h2-9,14H,10-13H2,1H3
SMILES: O=c1c(Oc2ccc(Br)cc2)c(-n2cc(CO)nn2)cnn1-c1ccc(Cl)cc1
SELFIES: [O][=C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][Branch1][N][N][C][=C][Branch1][Ring1][C][O][N][=N][Ring1][#Branch1][C][=N][N][Ring2][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C19H13BrClN5O3/c20-12-1-7-16(8-2-12)29-18-17(25-10-14(11-27)23-24-25)9-22-26(19(18)28)15-5-3-13(21)4-6-15/h1-10,27H,11H2
SMILES: CS(=O)(=O)N1CCN(c2cnn(-c3ccc(Cl)cc3)c(=O)c2Oc2ccc(Br)cc2)CC1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][Branch1][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][=C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][N]
InChI: InChI=1S/C21H20BrClN4O4S/c1-32(29,30)26-12-10-25(11-13-26)19-14-24-27(17-6-4-16(23)5-7-17)21(28)20(19)31-18-8-2-15(22)3-9-18/h2-9,14H,10-13H2,1H3
SMILES: O=C(C1CC1)N1CCN(c2cnn(-c3ccc(Cl)cc3)c(=O)c2Oc2ccc(Br)cc2)CC1
SELFIES: [O][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][C][N][Branch2][Ring2][Branch1][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][=C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][N]
InChI: InChI=1S/C24H22BrClN4O3/c25-17-3-9-20(10-4-17)33-22-21(28-11-13-29(14-12-28)23(31)16-1-2-16)15-27-30(24(22)32)19-7-5-18(26)6-8-19/h3-10,15-16H,1-2,11-14H2
SMILES: CC(=O)N1CCN(c2cnn(-c3ccc(C)cc3)c(=O)c2Oc2ccc(Br)cc2)CC1
SELFIES: [C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][Branch1][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][=C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][N]
InChI: InChI=1S/C23H23BrN4O3/c1-16-3-7-19(8-4-16)28-23(30)22(31-20-9-5-18(24)6-10-20)21(15-25-28)27-13-11-26(12-14-27)17(2)29/h3-10,15H,11-14H2,1-2H3
SMILES: Cc1ccc(-n2ncc(-n3ccnc3)c(Oc3cccc(Br)c3)c2=O)cc1
SELFIES: [C][C][=C][C][=C][Branch2][Ring2][C][N][N][=C][C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][=C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring1][=O][C][=C][Ring2][Ring1][#Branch2]
InChI: InChI=1S/C20H15BrN4O2/c1-14-5-7-16(8-6-14)25-20(26)19(27-17-4-2-3-15(21)11-17)18(12-23-25)24-10-9-22-13-24/h2-13H,1H3
SMILES: O=c1c(Oc2cccc(Br)c2)c(-n2ccnc2)cnn1-c1ccc(Cl)cc1
SELFIES: [O][=C][C][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=N][N][Ring2][Ring1][Ring1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C19H12BrClN4O2/c20-13-2-1-3-16(10-13)27-18-17(24-9-8-22-12-24)11-23-25(19(18)26)15-6-4-14(21)5-7-15/h1-12H
SMILES: O=c1c(Oc2ccc(Br)cc2)c(Oc2ccc(Br)cc2)cnn1-c1ccc(Cl)cc1
SELFIES: [O][=C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=N][N][Ring2][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C22H13Br2ClN2O3/c23-14-1-9-18(10-2-14)29-20-13-26-27(17-7-5-16(25)6-8-17)22(28)21(20)30-19-11-3-15(24)4-12-19/h1-13H
SMILES: O=c1c(Oc2ccc(Br)cc2)c(N2CCC3(CC2)OCCO3)cnn1-c1ccc(Cl)cc1
SELFIES: [O][=C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][Branch1][P][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=N][N][Ring2][Ring1][Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C23H21BrClN3O4/c24-16-1-7-19(8-2-16)32-21-20(27-11-9-23(10-12-27)30-13-14-31-23)15-26-28(22(21)29)18-5-3-17(25)4-6-18/h1-8,15H,9-14H2
SMILES: O=c1c(Oc2ccc(Br)cc2)c(N2CCC(O)CC2)cnn1-c1ccc(Cl)cc1
SELFIES: [O][=C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][Branch1][N][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][=N][N][Ring2][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C21H19BrClN3O3/c22-14-1-7-18(8-2-14)29-20-19(25-11-9-17(27)10-12-25)13-24-26(21(20)28)16-5-3-15(23)4-6-16/h1-8,13,17,27H,9-12H2
SMILES: NC(=O)N1CCN(c2cnn(-c3ccc(Cl)cc3)c(=O)c2Oc2ccc(Br)cc2)CC1
SELFIES: [N][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][Branch1][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][=C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][N]
InChI: InChI=1S/C21H19BrClN5O3/c22-14-1-7-17(8-2-14)31-19-18(26-9-11-27(12-10-26)21(24)30)13-25-28(20(19)29)16-5-3-15(23)4-6-16/h1-8,13H,9-12H2,(H2,24,30)
SMILES: O=c1c(Oc2ccc(Br)cc2)c(-n2ccnc2)cnn1-c1ccc([N+](=O)[O-])cc1
SELFIES: [O][=C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=N][N][Ring2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]
InChI: InChI=1S/C19H12BrN5O4/c20-13-1-7-16(8-2-13)29-18-17(23-10-9-21-12-23)11-22-24(19(18)26)14-3-5-15(6-4-14)25(27)28/h1-12H
SMILES: CS(=O)(=O)N(c1ccccc1-c1ccc(Oc2c(-n3ccnc3)cnn(-c3ccc(Cl)cc3)c2=O)cc1)S(C)(=O)=O
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Branch1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring2][C][O][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring2][Ring1][C][=O][C][=C][Ring2][Ring1][#Branch2][S][Branch1][C][C][=Branch1][C][=O][=O]
InChI: InChI=1S/C27H22ClN5O6S2/c1-40(35,36)33(41(2,37)38)24-6-4-3-5-23(24)19-7-13-22(14-8-19)39-26-25(31-16-15-29-18-31)17-30-32(27(26)34)21-11-9-20(28)10-12-21/h3-18H,1-2H3
SMILES: Cc1ccc(-n2ncc(N3CCN(C(=O)OC(C)(C)C)CC3)c(Oc3ccc(-c4ccc(OC(=O)C(C)(C)C)cc4)cc3)c2=O)cc1
SELFIES: [C][C][=C][C][=C][Branch2][=Branch1][N][N][N][=C][C][Branch2][Ring1][Branch2][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][=C][Branch2][Ring2][Branch1][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N][C][=C][Ring2][Ring1][Ring1][C][Ring2][Ring2][#Branch1][=O][C][=C][Ring2][Ring2][=C]
InChI: InChI=1S/C37H42N4O6/c1-25-8-14-28(15-9-25)41-33(42)32(31(24-38-41)39-20-22-40(23-21-39)35(44)47-37(5,6)7)45-29-16-10-26(11-17-29)27-12-18-30(19-13-27)46-34(43)36(2,3)4/h8-19,24H,20-23H2,1-7H3
SMILES: Cc1ccc(-n2ncc(N3CCNCC3)c(Oc3ccc(-c4ccc(OC(=O)C(C)(C)C)cc4)cc3)c2=O)cc1
SELFIES: [C][C][=C][C][=C][Branch2][Branch1][N][N][N][=C][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][=C][Branch2][Ring2][Branch1][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N][C][=C][Ring2][Ring1][Ring1][C][Ring2][Ring1][S][=O][C][=C][Ring2][Ring2][#Branch1]
InChI: InChI=1S/C32H34N4O4/c1-22-5-11-25(12-6-22)36-30(37)29(28(21-34-36)35-19-17-33-18-20-35)39-26-13-7-23(8-14-26)24-9-15-27(16-10-24)40-31(38)32(2,3)4/h5-16,21,33H,17-20H2,1-4H3
SMILES: CCN1CCN(c2cnn(-c3ccc(C)cc3)c(=O)c2Oc2ccc(-c3ccc(OC(=O)C(C)(C)C)cc3)cc2)CC1
SELFIES: [C][C][N][C][C][N][Branch2][Branch1][=N][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][=C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N][C][=C][Ring2][Ring1][Ring1][C][C][Ring2][Ring2][Branch2]
InChI: InChI=1S/C34H38N4O4/c1-6-36-19-21-37(22-20-36)30-23-35-38(27-13-7-24(2)8-14-27)32(39)31(30)41-28-15-9-25(10-16-28)26-11-17-29(18-12-26)42-33(40)34(3,4)5/h7-18,23H,6,19-22H2,1-5H3
SMILES: Cc1ccc(-n2ncc(N3CCN(C)CC3)c(Oc3ccc(-c4ccc(O)cc4)cc3)c2=O)cc1
SELFIES: [C][C][=C][C][=C][Branch2][Ring2][P][N][N][=C][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][Branch2][Ring1][#Branch1][O][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring1][=N][C][Ring2][Ring1][O][=O][C][=C][Ring2][Ring2][C]
InChI: InChI=1S/C28H28N4O3/c1-20-3-9-23(10-4-20)32-28(34)27(26(19-29-32)31-17-15-30(2)16-18-31)35-25-13-7-22(8-14-25)21-5-11-24(33)12-6-21/h3-14,19,33H,15-18H2,1-2H3
SMILES: CS(=O)(=O)N1CCN(c2cnn(-c3ccc(Cl)cc3)c(=O)c2Oc2ccc(-c3ccc(F)c(CN)c3)cc2)CC1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Branch1][Ring1][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][=C][O][C][=C][C][=C][Branch1][S][C][=C][C][=C][Branch1][C][F][C][Branch1][Ring1][C][N][=C][Ring1][=Branch2][C][=C][Ring1][#C][C][C][Ring2][Ring2][Ring2]
InChI: InChI=1S/C28H27ClFN5O4S/c1-40(37,38)34-14-12-33(13-15-34)26-18-32-35(23-7-5-22(29)6-8-23)28(36)27(26)39-24-9-2-19(3-10-24)20-4-11-25(30)21(16-20)17-31/h2-11,16,18H,12-15,17,31H2,1H3
SMILES: CS(=O)(=O)N1CCN(c2cnn(-c3ccc(Cl)cc3)c(=O)c2Oc2ccc(-c3ccc(F)c(CO)c3)cc2)CC1
SELFIES: [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Branch1][Ring1][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][=C][O][C][=C][C][=C][Branch1][S][C][=C][C][=C][Branch1][C][F][C][Branch1][Ring1][C][O][=C][Ring1][=Branch2][C][=C][Ring1][#C][C][C][Ring2][Ring2][Ring2]
InChI: InChI=1S/C28H26ClFN4O5S/c1-40(37,38)33-14-12-32(13-15-33)26-17-31-34(23-7-5-22(29)6-8-23)28(36)27(26)39-24-9-2-19(3-10-24)20-4-11-25(30)21(16-20)18-35/h2-11,16-17,35H,12-15,18H2,1H3
SMILES: O=c1c(Oc2ccc(-c3ccncc3)cc2)c(-n2ccnc2)cnn1-c1ccc(Cl)cc1
SELFIES: [O][=C][C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][N][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=N][N][Ring2][Ring1][Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C24H16ClN5O2/c25-19-3-5-20(6-4-19)30-24(31)23(22(15-28-30)29-14-13-27-16-29)32-21-7-1-17(2-8-21)18-9-11-26-12-10-18/h1-16H
SMILES: CC(C)(C)OC(=O)N1CCN(c2cnn(-c3ccc(Cl)cc3)c(=O)c2Oc2ccc(-c3ccccc3)cc2)CC1
SELFIES: [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][N][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][=C][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][C][Ring2][Ring1][P]
InChI: InChI=1S/C31H31ClN4O4/c1-31(2,3)40-30(38)35-19-17-34(18-20-35)27-21-33-36(25-13-11-24(32)12-14-25)29(37)28(27)39-26-15-9-23(10-16-26)22-7-5-4-6-8-22/h4-16,21H,17-20H2,1-3H3
SMILES: O=c1c(Oc2ccc(-c3ccccc3)cc2)c(N2CCNCC2)cnn1-c1ccc(Cl)cc1
SELFIES: [O][=C][C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][=N][N][Ring2][Ring1][=Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C26H23ClN4O2/c27-21-8-10-22(11-9-21)31-26(32)25(24(18-29-31)30-16-14-28-15-17-30)33-23-12-6-20(7-13-23)19-4-2-1-3-5-19/h1-13,18,28H,14-17H2
SMILES: O=c1c(Oc2ccc(-c3ccccc3)cc2)c(N2CCC3(CC2)OCCO3)cnn1-c1ccc(Cl)cc1
SELFIES: [O][=C][C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][=C][Branch1][P][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=N][N][Ring2][Ring1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C29H26ClN3O4/c30-23-8-10-24(11-9-23)33-28(34)27(37-25-12-6-22(7-13-25)21-4-2-1-3-5-21)26(20-31-33)32-16-14-29(15-17-32)35-18-19-36-29/h1-13,20H,14-19H2
SMILES: O=C1CCN(c2cnn(-c3ccc(Cl)cc3)c(=O)c2Oc2ccc(-c3ccccc3)cc2)CC1
SELFIES: [O][=C][C][C][N][Branch2][Ring2][N][C][C][=N][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring1][=C][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][C][Ring2][Ring1][P]
InChI: InChI=1S/C27H22ClN3O3/c28-21-8-10-22(11-9-21)31-27(33)26(25(18-29-31)30-16-14-23(32)15-17-30)34-24-12-6-20(7-13-24)19-4-2-1-3-5-19/h1-13,18H,14-17H2
SMILES: O=c1c(Oc2ccc(-c3ccccc3)cc2)c(N2CCC(O)CC2)cnn1-c1ccc(Cl)cc1
SELFIES: [O][=C][C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][=C][Branch1][N][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][=N][N][Ring2][Ring1][#Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C27H24ClN3O3/c28-21-8-10-22(11-9-21)31-27(33)26(25(18-29-31)30-16-14-23(32)15-17-30)34-24-12-6-20(7-13-24)19-4-2-1-3-5-19/h1-13,18,23,32H,14-17H2
SMILES: O=c1c(Oc2ccc(-c3ccccc3)cc2)c(N2CCC(F)CC2)cnn1-c1ccc(Cl)cc1
SELFIES: [O][=C][C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][=C][Branch1][N][N][C][C][C][Branch1][C][F][C][C][Ring1][#Branch1][C][=N][N][Ring2][Ring1][#Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C27H23ClFN3O2/c28-21-8-10-23(11-9-21)32-27(33)26(25(18-30-32)31-16-14-22(29)15-17-31)34-24-12-6-20(7-13-24)19-4-2-1-3-5-19/h1-13,18,22H,14-17H2
SMILES: O=c1c(Oc2ccc(-c3ccccc3)cc2)c(N2CCC(F)(F)CC2)cnn1-c1ccc(Cl)cc1
SELFIES: [O][=C][C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][=C][Branch1][#C][N][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][C][=N][N][Ring2][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C27H22ClF2N3O2/c28-21-8-10-22(11-9-21)33-26(34)25(24(18-31-33)32-16-14-27(29,30)15-17-32)35-23-12-6-20(7-13-23)19-4-2-1-3-5-19/h1-13,18H,14-17H2
SMILES: O=c1c(Oc2ccc(-c3ccc(F)cc3)cc2)c(N2CCC(Cl)CC2)cnn1-c1ccc(Cl)cc1
SELFIES: [O][=C][C][Branch2][Ring1][#Branch1][O][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][=N][=C][Branch1][N][N][C][C][C][Branch1][C][Cl][C][C][Ring1][#Branch1][C][=N][N][Ring2][Ring1][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
InChI: InChI=1S/C27H22Cl2FN3O2/c28-20-5-9-23(10-6-20)33-27(34)26(25(17-31-33)32-15-13-21(29)14-16-32)35-24-11-3-19(4-12-24)18-1-7-22(30)8-2-18/h1-12,17,21H,13-16H2