EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
InChI: InChI=1S/C36H76O18P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31(28-26-24-22-20-18-16-14-12-10-8-6-4-2)29-49-36-35(54-58(46,47)48)34(53-57(43,44)45)33(52-56(40,41)42)32(51-36)30-50-55(37,38)39/h31-36H,3-30H2,1-2H3,(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48)/t32-,33+,34+,35-,36-/m1/s1
SMILES: C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N=[N+]=[N-]
InChI: InChI=1S/C9H11N5O6/c10-13-12-4-1-5(16)11-9(19)14(4)8-7(18)6(17)3(2-15)20-8/h1,3,6-8,15,17-18H,2H2,(H,11,16,19)/t3-,6-,7-,8-/m1/s1
SMILES: CCCCN1[C@H]([C@H](CCC1=O)C(=O)OCC(=O)NCCOC)C2=CC=CC=C2OC
InChI: InChI=1S/C22H32N2O6/c1-4-5-13-24-20(26)11-10-17(21(24)16-8-6-7-9-18(16)29-3)22(27)30-15-19(25)23-12-14-28-2/h6-9,17,21H,4-5,10-15H2,1-3H3,(H,23,25)/t17-,21-/m0/s1
SMILES: C[C@@H]1C=C(C(=O)[C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@@]([C@@H]4[C@H](C(=O)O3)OC(=O)/C=C(\C)/C(C)C)(OC5)C(=O)OC)O)O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
InChI: InChI=1S/C34H46O16/c1-12(2)13(3)8-19(36)50-24-26-33-11-46-34(26,31(44)45-6)28(42)23(40)25(33)32(5)15(9-18(33)49-29(24)43)14(4)7-16(27(32)41)47-30-22(39)21(38)20(37)17(10-35)48-30/h7-8,12,14-15,17-18,20-26,28,30,35,37-40,42H,9-11H2,1-6H3/b13-8+/t14-,15+,17-,18-,20-,21+,22-,23-,24-,25-,26-,28+,30-,32+,33-,34-/m1/s1
SMILES: CN1C2=CC(=C(C=C2N=C(C1=O)CCN3C(=O)N4CC=C5[C@H](N4C3=O)C[C@H]6C(=O)N(C(=O)[C@]6([C@H]5C7=C(C(=CC=C7)F)O)C8=CC=C(C=C8)Cl)NC9=C(C=C(C=N9)C(F)(F)F)Cl)OC)OC
InChI: InChI=1S/C43H34Cl2F4N8O8/c1-53-31-18-33(65-3)32(64-2)17-29(31)51-28(38(53)60)12-13-54-40(62)55-14-11-23-30(57(55)41(54)63)16-25-37(59)56(52-36-26(45)15-21(19-50-36)43(47,48)49)39(61)42(25,20-7-9-22(44)10-8-20)34(23)24-5-4-6-27(46)35(24)58/h4-11,15,17-19,25,30,34,58H,12-14,16H2,1-3H3,(H,50,52)/t25-,30+,34+,42+/m0/s1
SMILES: C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC(=CC5=CC(=C(C(=C5)OC)OC)OC)C4=O)C)O
InChI: InChI=1S/C29H38O5/c1-28-10-8-20(30)16-19(28)6-7-21-22(28)9-11-29(2)23(21)15-18(27(29)31)12-17-13-24(32-3)26(34-5)25(14-17)33-4/h6,12-14,20-23,30H,7-11,15-16H2,1-5H3/t20-,21+,22-,23-,28-,29-/m0/s1
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@H]([C@@H]([C@@]5(C)CO)O)O)C)C)C2[C@]1(C)O)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
InChI: InChI=1S/C36H58O11/c1-18-9-12-36(30(44)47-29-26(42)25(41)24(40)21(16-37)46-29)14-13-33(4)19(27(36)35(18,6)45)7-8-23-31(2)15-20(39)28(43)32(3,17-38)22(31)10-11-34(23,33)5/h7,18,20-29,37-43,45H,8-17H2,1-6H3/t18-,20-,21-,22-,23-,24-,25+,26-,27?,28+,29+,31+,32+,33-,34-,35-,36+/m1/s1
SMILES: COC(=O)C1CCCC1NC(=O)OC[C@@H]2[C@H](C(C(O2)N3C=NC4=C(N=CN=C43)NC5CCOC5)O)O
InChI: InChI=1S/C22H30N6O8/c1-33-21(31)12-3-2-4-13(12)27-22(32)35-8-14-16(29)17(30)20(36-14)28-10-25-15-18(23-9-24-19(15)28)26-11-5-6-34-7-11/h9-14,16-17,20,29-30H,2-8H2,1H3,(H,27,32)(H,23,24,26)/t11?,12?,13?,14-,16-,17?,20?/m1/s1
SMILES: C[C@@]12CC(=O)O[C@@H]3[C@@]14[C@@H](CC[C@H]4[C@](C2)(C)CO)C(=O)O3
InChI: InChI=1S/C15H20O5/c1-13(7-16)6-14(2)5-10(17)19-12-15(14)8(11(18)20-12)3-4-9(13)15/h8-9,12,16H,3-7H2,1-2H3/t8-,9-,12-,13-,14-,15-/m0/s1
SMILES: CC1=C(C(=NN1C2=CC=CC=C2)C)[C@H]3[C@@H]4CCCC=C4[C@H](C(=N)C3(C#N)C#N)C#N
InChI: InChI=1S/C24H22N6/c1-15-21(16(2)30(29-15)17-8-4-3-5-9-17)22-19-11-7-6-10-18(19)20(12-25)23(28)24(22,13-26)14-27/h3-5,8-10,19-20,22,28H,6-7,11H2,1-2H3/t19-,20-,22-/m1/s1
SMILES: C[C@]12CCCC([C@@H]1CC[C@@H]3[C@@]24CCC(C4)([C@@H](C3)O)C)(C)C
InChI: InChI=1S/C20H34O/c1-17(2)8-5-9-19(4)15(17)7-6-14-12-16(21)18(3)10-11-20(14,19)13-18/h14-16,21H,5-13H2,1-4H3/t14-,15-,16+,18?,19-,20-/m0/s1
SMILES: COC1=CC=C(C=C1)C(=O)[C@H]2[C@H]3[C@@H]([C@@H]4N2C=CC5=CC=CC=C45)C(=O)NC3=O
InChI: InChI=1S/C22H18N2O4/c1-28-14-8-6-13(7-9-14)20(25)19-17-16(21(26)23-22(17)27)18-15-5-3-2-4-12(15)10-11-24(18)19/h2-11,16-19H,1H3,(H,23,26,27)/t16-,17+,18+,19+/m0/s1
SMILES: CCOC1=CC(=CC(=C1O)[N+](=O)[O-])[C@@H]2[C@H](C(=C)NC(=S)N2)C(=O)NC3=CC=CC=C3Cl
InChI: InChI=1S/C20H19ClN4O5S/c1-3-30-15-9-11(8-14(18(15)26)25(28)29)17-16(10(2)22-20(31)24-17)19(27)23-13-7-5-4-6-12(13)21/h4-9,16-17,26H,2-3H2,1H3,(H,23,27)(H2,22,24,31)/t16-,17+/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CO)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
InChI: InChI=1S/C10H17N2O15P3/c13-3-5-2-12(10(16)11-9(5)15)8-1-6(14)7(25-8)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2,6-8,13-14H,1,3-4H2,(H,20,21)(H,22,23)(H,11,15,16)(H2,17,18,19)/t6-,7+,8+/m0/s1
SMILES: [2H][C@]1([C@H](O[C@]([C@@]([C@@]1([2H])OC(=O)C)([2H])OC(=O)C)([2H])OC)C([2H])([2H])OC(=O)C)OC(=O)C
InChI: InChI=1S/C15H22O10/c1-7(16)21-6-11-12(22-8(2)17)13(23-9(3)18)14(24-10(4)19)15(20-5)25-11/h11-15H,6H2,1-5H3/t11-,12-,13+,14+,15+/m1/s1/i6D2,12D,13D,14D,15D
SMILES: C1=CC(=CC=C1C(=O)[O-])N[C@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O
InChI: InChI=1S/C13H17NO7/c15-5-8-9(16)10(17)11(18)12(21-8)14-7-3-1-6(2-4-7)13(19)20/h1-4,8-12,14-18H,5H2,(H,19,20)/p-1/t8-,9+,10+,11+,12+/m0/s1
SMILES: COC1=CC(=C(C=C1)CN2[C@H]([C@H](C2=O)NC(=O)OCC3=CC=CC=C3)COS(=O)(=O)C)OC
InChI: InChI=1S/C22H26N2O8S/c1-29-17-10-9-16(19(11-17)30-2)12-24-18(14-32-33(3,27)28)20(21(24)25)23-22(26)31-13-15-7-5-4-6-8-15/h4-11,18,20H,12-14H2,1-3H3,(H,23,26)/t18-,20+/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)[NH2+][C@@H](C)C(=O)NC2=CC3=C(C=C2)OCCO3
InChI: InChI=1S/C19H28N2O3/c1-12-5-4-6-16(13(12)2)20-14(3)19(22)21-15-7-8-17-18(11-15)24-10-9-23-17/h7-8,11-14,16,20H,4-6,9-10H2,1-3H3,(H,21,22)/p+1/t12-,13-,14+,16-/m1/s1
SMILES: CCCC1=CC(=O)NC2=C1C3=C(CCC(O3)(C)C)C4=C2[C@H]([C@@H]([C@H](O4)C)C)O
InChI: InChI=1S/C22H29NO4/c1-6-7-13-10-15(24)23-18-16(13)21-14(8-9-22(4,5)27-21)20-17(18)19(25)11(2)12(3)26-20/h10-12,19,25H,6-9H2,1-5H3,(H,23,24)/t11-,12-,19+/m1/s1
SMILES: C1[C@@H]([C@@H](C(=O)N1)C(=O)NN=CC2=CC=CC=C2F)C3=CC=CC=C3
InChI: InChI=1S/C18H16FN3O2/c19-15-9-5-4-8-13(15)10-21-22-18(24)16-14(11-20-17(16)23)12-6-2-1-3-7-12/h1-10,14,16H,11H2,(H,20,23)(H,22,24)/t14-,16+/m1/s1
SMILES: C[C@]12[C@H](C3C4=CC=CC=C4C1C5=CC=CC=C35)C(=O)N(C2=O)C[C@@H]6CCCO6
InChI: InChI=1S/C24H23NO3/c1-24-20-17-10-4-2-8-15(17)19(16-9-3-5-11-18(16)20)21(24)22(26)25(23(24)27)13-14-7-6-12-28-14/h2-5,8-11,14,19-21H,6-7,12-13H2,1H3/t14-,19?,20?,21+,24+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1N2C(=O)C(=O)N(C2=O)CC(=O)NCCC3=CC=C(C=C3)F
InChI: InChI=1S/C20H24FN3O4/c1-13-4-2-3-5-16(13)24-19(27)18(26)23(20(24)28)12-17(25)22-11-10-14-6-8-15(21)9-7-14/h6-9,13,16H,2-5,10-12H2,1H3,(H,22,25)/t13-,16+/m0/s1
SMILES: C[C@@H]([C@@H]1CN2CC[C@]34[C@H]2C[C@H]1C(=C3NC5=CC=CC=C45)C(=O)OC)O
InChI: InChI=1S/C20H24N2O3/c1-11(23)13-10-22-8-7-20-14-5-3-4-6-15(14)21-18(20)17(19(24)25-2)12(13)9-16(20)22/h3-6,11-13,16,21,23H,7-10H2,1-2H3/t11-,12+,13-,16+,20-/m0/s1
SMILES: CCOC1=C(C=CC(=C1)[C@@H]2[C@H]3[C@H](CCCC3=O)OC(=C2C#N)N)OCCN4CCOCC4
InChI: InChI=1S/C24H31N3O5/c1-2-30-21-14-16(6-7-19(21)31-13-10-27-8-11-29-12-9-27)22-17(15-25)24(26)32-20-5-3-4-18(28)23(20)22/h6-7,14,20,22-23H,2-5,8-13,26H2,1H3/t20-,22-,23+/m0/s1
SMILES: CC(C)(C)OC(=O)N1[C@@H](C[C@@H]([C@H]1P(=O)(OC)OC)CC=C)C(=O)OC
InChI: InChI=1S/C16H28NO7P/c1-8-9-11-10-12(14(18)21-5)17(15(19)24-16(2,3)4)13(11)25(20,22-6)23-7/h8,11-13H,1,9-10H2,2-7H3/t11-,12-,13+/m0/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)O)C4=CC=CC=C4
InChI: InChI=1S/C20H22O5/c1-22-20-16(13-8-4-2-5-9-13)17(21)18-15(24-20)12-23-19(25-18)14-10-6-3-7-11-14/h2-11,15-21H,12H2,1H3/t15-,16-,17-,18-,19-,20+/m1/s1
SMILES: C[C@@H]1CC[C@@H]([C@@H](C1)OC(=O)C[N+](C)(C)CCOCC2(COC2)COCC[N+](C)(C)CC(=O)O[C@@H]3C[C@H](CC[C@H]3C(C)C)C)C(C)C
InChI: InChI=1S/C37H70N2O7/c1-27(2)31-13-11-29(5)19-33(31)45-35(40)21-38(7,8)15-17-42-23-37(25-44-26-37)24-43-18-16-39(9,10)22-36(41)46-34-20-30(6)12-14-32(34)28(3)4/h27-34H,11-26H2,1-10H3/q+2/t29-,30+,31-,32+,33-,34-/m1/s1
SMILES: CCCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C5=CC(=C(C=C5)O)OC)C)C6=CC(=C(C=C6)F)Cl
InChI: InChI=1S/C31H30ClFN2O6/c1-4-11-34-27(37)18-8-7-17-19(25(18)29(34)39)14-20-28(38)35(16-6-9-22(33)21(32)13-16)30(40)31(20,2)26(17)15-5-10-23(36)24(12-15)41-3/h5-7,9-10,12-13,18-20,25-26,36H,4,8,11,14H2,1-3H3/t18-,19+,20-,25-,26-,31+/m0/s1
SMILES: CC(=O)O[C@H]1CCC([C@@H]2[C@@]1([C@@H]3CC[C@@H]4[C@H](C3=CC2)OC(=O)C4=C)C)(C)C
InChI: InChI=1S/C22H30O4/c1-12-14-6-8-16-15(19(14)26-20(12)24)7-9-17-21(3,4)11-10-18(22(16,17)5)25-13(2)23/h7,14,16-19H,1,6,8-11H2,2-5H3/t14-,16+,17+,18-,19+,22-/m0/s1
SMILES: C[C@H]([C@]1(CCC2[C@@]1(CCC3C2CCC4[C@@]3(CC[C@H](C4)O[Si](C)(C)C)C)C)O[Si](C)(C)C)O[Si](C)(C)C
InChI: InChI=1S/C30H60O3Si3/c1-22(31-34(4,5)6)30(33-36(10,11)12)20-17-27-25-14-13-23-21-24(32-35(7,8)9)15-18-28(23,2)26(25)16-19-29(27,30)3/h22-27H,13-21H2,1-12H3/t22-,23?,24-,25?,26?,27?,28+,29+,30+/m1/s1
SMILES: CC1=CC(=CC=C1)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]3C2=O)C4=C5C6CC7CC(C6)CC5C7
InChI: InChI=1S/C26H27NO2/c1-13-3-2-4-18(7-13)27-25(28)23-19-5-6-20(24(23)26(27)29)22(19)21-16-9-14-8-15(11-16)12-17(21)10-14/h2-7,14-17,19-20,23-24H,8-12H2,1H3/t14?,15?,16?,17?,19-,20+,23-,24+
SMILES: C1[C@@H]([C@H]1N(CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C29H25NO/c31-29(26-18-16-24(17-19-26)23-12-6-2-7-13-23)30(21-22-10-4-1-5-11-22)28-20-27(28)25-14-8-3-9-15-25/h1-19,27-28H,20-21H2/t27-,28+/m1/s1
SMILES: CC1=C[C@@H]([C@H]([C@]2([C@H]1C[C@@H]3[C@]45[C@@H]2[C@H]([C@@H]([C@@]([C@@H]4[C@H](C(=O)O3)OC(=O)C)(OC5)C(=O)OC)O)O)C)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O
InChI: InChI=1S/C29H40O16/c1-9-5-12(43-25-17(34)16(33)15(32)13(7-30)44-25)22(36)27(3)11(9)6-14-28-8-41-29(26(39)40-4,23(37)18(35)20(27)28)21(28)19(24(38)45-14)42-10(2)31/h5,11-23,25,30,32-37H,6-8H2,1-4H3/t11-,12-,13+,14+,15+,16-,17+,18+,19+,20+,21+,22+,23-,25+,27-,28+,29+/m0/s1
SMILES: C1CCC(CC1)NC(=O)O[C@H]2[C@H]3[C@@H](CO[C@@H]2OCCCl)O[C@@H](O3)C(Cl)(Cl)Cl
InChI: InChI=1S/C16H23Cl4NO6/c17-6-7-23-13-12(27-15(22)21-9-4-2-1-3-5-9)11-10(8-24-13)25-14(26-11)16(18,19)20/h9-14H,1-8H2,(H,21,22)/t10-,11-,12+,13+,14+/m1/s1
SMILES: COC1=CC(=C(C=C1)OC)COC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O
InChI: InChI=1S/C20H23NO6/c1-25-14-7-8-17(26-2)13(11-14)12-27-18(22)9-10-21-19(23)15-5-3-4-6-16(15)20(21)24/h3-4,7-8,11,15-16H,5-6,9-10,12H2,1-2H3/t15-,16-/m1/s1
SMILES: COC1=CC(=CC2=C1N[C@@H]([C@@H]3[C@H]2C=CC3)C4=CC=CC=N4)[N+](=O)[O-]
InChI: InChI=1S/C18H17N3O3/c1-24-16-10-11(21(22)23)9-14-12-5-4-6-13(12)17(20-18(14)16)15-7-2-3-8-19-15/h2-5,7-10,12-13,17,20H,6H2,1H3/t12-,13+,17+/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)C)COC(=O)C)OC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)O)OC(=O)C)OC(=O)C)O
InChI: InChI=1S/C40H62O14/c1-23(2)14-11-15-24(3)16-12-17-25(4)18-13-19-26(5)20-21-47-39-34(46)37(35(50-29(8)42)32(53-39)22-48-28(7)41)54-40-38(52-31(10)44)36(51-30(9)43)33(45)27(6)49-40/h14,16,18,20,27,32-40,45-46H,11-13,15,17,19,21-22H2,1-10H3/b24-16+,25-18+,26-20+/t27-,32+,33-,34+,35+,36+,37+,38+,39+,40-/m0/s1
SMILES: CCC1=CC=C(S1)CC2=CNC3=C2C(=CC=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C21H25NO6S/c1-2-12-6-7-13(29-12)8-11-9-22-14-4-3-5-15(17(11)14)27-21-20(26)19(25)18(24)16(10-23)28-21/h3-7,9,16,18-26H,2,8,10H2,1H3/t16-,18-,19+,20-,21-/m1/s1
SMILES: CC(C)C[C@H]([C@H]1C[C@H]1CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)O
InChI: InChI=1S/C25H36O2Si/c1-19(2)16-24(26)23-17-20(23)18-27-28(25(3,4)5,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,19-20,23-24,26H,16-18H2,1-5H3/t20-,23-,24+/m0/s1
SMILES: CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NC(=O)NC4=CC=CC=C4OC)O)O
InChI: InChI=1S/C20H23N7O6/c1-3-21-18(30)15-13(28)14(29)19(33-15)27-9-24-12-16(22-8-23-17(12)27)26-20(31)25-10-6-4-5-7-11(10)32-2/h4-9,13-15,19,28-29H,3H2,1-2H3,(H,21,30)(H2,22,23,25,26,31)/t13-,14+,15-,19+/m0/s1
SMILES: CC(=O)O[C@@H]1[C@H](O[C@H]([C@@H]1OC(=O)C)N2C3=CC(=C(C=C3N=N2)Cl)OC4=C(C=C(C=N4)C(F)(F)F)Cl)COS(=O)(=O)N
InChI: InChI=1S/C21H18Cl2F3N5O9S/c1-8(32)37-17-16(7-36-41(27,34)35)40-20(18(17)38-9(2)33)31-14-5-15(11(22)4-13(14)29-30-31)39-19-12(23)3-10(6-28-19)21(24,25)26/h3-6,16-18,20H,7H2,1-2H3,(H2,27,34,35)/t16-,17-,18-,20-/m1/s1
SMILES: C[C@H]1C[C@H]1C2=CC=C(O2)/C=N\N3C=NN=C3SCC4=CC=C(C=C4)Cl
InChI: InChI=1S/C18H17ClN4OS/c1-12-8-16(12)17-7-6-15(24-17)9-21-23-11-20-22-18(23)25-10-13-2-4-14(19)5-3-13/h2-7,9,11-12,16H,8,10H2,1H3/b21-9-/t12-,16+/m0/s1
SMILES: CC(C)(C)NC(=O)C1C[C@@H]2CCCC[C@@H]2CN1CC(CN3[C@H](CC(C3=O)CC4=CC=CC=C4N)CC5=CC=CC=C5)O
InChI: InChI=1S/C35H50N4O3/c1-35(2,3)37-33(41)32-20-25-13-7-8-15-27(25)21-38(32)22-30(40)23-39-29(17-24-11-5-4-6-12-24)19-28(34(39)42)18-26-14-9-10-16-31(26)36/h4-6,9-12,14,16,25,27-30,32,40H,7-8,13,15,17-23,36H2,1-3H3,(H,37,41)/t25-,27+,28?,29-,30?,32?/m0/s1
SMILES: C[C@@H]1CNC(=O)[C@H](NC(=O)/C=C\C[C@H](OC(=O)[C@@H](OC1=O)CC(C)C)[C@H](C)[C@@H]2[C@H](O2)C3=CC=CC=C3)CC4=CC(=C(C=C4)OC)Cl
InChI: InChI=1S/C35H43ClN2O8/c1-20(2)16-29-35(42)44-27(22(4)31-32(46-31)24-10-7-6-8-11-24)12-9-13-30(39)38-26(33(40)37-19-21(3)34(41)45-29)18-23-14-15-28(43-5)25(36)17-23/h6-11,13-15,17,20-22,26-27,29,31-32H,12,16,18-19H2,1-5H3,(H,37,40)(H,38,39)/b13-9-/t21-,22+,26-,27+,29+,31-,32-/m1/s1
SMILES: CC(C)NC1=NC2=C(N1[C@@H]3[C@H]([C@H]([C@@H](O3)CO)O)O)C=C(C=C2Cl)Cl
InChI: InChI=1S/C15H19Cl2N3O4/c1-6(2)18-15-19-11-8(17)3-7(16)4-9(11)20(15)14-13(23)12(22)10(5-21)24-14/h3-4,6,10,12-14,21-23H,5H2,1-2H3,(H,18,19)/t10-,12-,13-,14-/m0/s1
SMILES: C1CNC(=[NH+]C1)/C=C(\C2=CC=C(C=C2)Cl)/O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7.C(F)(F)(F)S(=O)(=O)[O-]
InChI: InChI=1S/C46H47ClN2O6.CHF3O3S/c47-39-24-22-38(23-25-39)40(28-42-48-26-13-27-49-42)54-46-45(53-32-37-20-11-4-12-21-37)44(52-31-36-18-9-3-10-19-36)43(51-30-35-16-7-2-8-17-35)41(55-46)33-50-29-34-14-5-1-6-15-34;2-1(3,4)8(5,6)7/h1-12,14-25,28,41,43-46H,13,26-27,29-33H2,(H,48,49);(H,5,6,7)/b40-28+;/t41-,43-,44+,45-,46+;/m1./s1
SMILES: CC1=C(C=C(C=C1)C(=O)COC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)[N+](=O)[O-]
InChI: InChI=1S/C19H20N2O7/c1-11-6-7-12(8-15(11)21(26)27)16(22)10-28-17(23)9-20-18(24)13-4-2-3-5-14(13)19(20)25/h6-8,13-14H,2-5,9-10H2,1H3/t13-,14-/m1/s1
SMILES: CNC(=O)CN(C)C(=O)COC(=O)[C@@H]1CCCC[C@@H]1C2=NC3=CC=CC=C3S2
InChI: InChI=1S/C20H25N3O4S/c1-21-17(24)11-23(2)18(25)12-27-20(26)14-8-4-3-7-13(14)19-22-15-9-5-6-10-16(15)28-19/h5-6,9-10,13-14H,3-4,7-8,11-12H2,1-2H3,(H,21,24)/t13-,14+/m0/s1
SMILES: CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC=C(C=C3)Br)OC(=O)C4=CC=C(C=C4)Br)OC(=O)C5=CC=C(C=C5)Br)OC(=O)C6=CC=C(C=C6)Br)O
InChI: InChI=1S/C41H36Br4O15/c1-53-40-31(48)33(30(47)28(18-46)55-40)60-41-35(59-39(52)23-8-16-27(45)17-9-23)34(58-38(51)22-6-14-26(44)15-7-22)32(57-37(50)21-4-12-25(43)13-5-21)29(56-41)19-54-36(49)20-2-10-24(42)11-3-20/h2-17,28-35,40-41,46-48H,18-19H2,1H3/t28-,29-,30-,31-,32-,33+,34+,35-,40-,41+/m1/s1
SMILES: CC(C)[Si]1(O[C@H]2C[C@@H]3[C@H](CCCO3)O[C@@H]([C@H]2O[Si](O1)(C(C)C)C(C)C)/C=C/[C@@H](CO)O)C(C)C.CC(C)(C)CCN1CCC[C@H]1[C@@H]2CCCN2CCC(C)(C)C.O=[Os]=O
InChI: InChI=1S/C25H48O7Si2.C20H40N2.2O.Os/c1-16(2)33(17(3)4)30-24-14-23-21(10-9-13-28-23)29-22(12-11-20(27)15-26)25(24)31-34(32-33,18(5)6)19(7)8;1-19(2,3)11-15-21-13-7-9-17(21)18-10-8-14-22(18)16-12-20(4,5)6;;;/h11-12,16-27H,9-10,13-15H2,1-8H3;17-18H,7-16H2,1-6H3;;;/b12-11+;;;;/t20-,21-,22+,23+,24-,25+;17-,18-;;;/m00.../s1
SMILES: CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)O)C)[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)NC(=O)C.[Cl-]
InChI: InChI=1S/C25H27N3O6.ClH/c1-11-17-9-28(25-22(26-13(3)30)24(33)23(32)19(10-29)34-25)7-6-15(17)12(2)21-20(11)16-8-14(31)4-5-18(16)27-21;/h4-9,19,22-25,29,32-33H,10H2,1-3H3,(H2,26,30,31);1H/t19-,22-,23+,24-,25-;/m1./s1
SMILES: C1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)CC(=O)NC3=CC=C(C=C3)OC(F)F
InChI: InChI=1S/C17H16F2N2O4/c18-17(19)25-11-7-5-10(6-8-11)20-14(22)9-21-15(23)12-3-1-2-4-13(12)16(21)24/h1-2,5-8,12-13,17H,3-4,9H2,(H,20,22)/t12-,13-/m1/s1
SMILES: CCCS[C@H]1CC[C@@]2(C3CC[C@@]4([C@H](CCC4C3CC=C2C1)C(C)CCCC(C)C)C)C
InChI: InChI=1S/C30H52S/c1-7-19-31-24-15-17-29(5)23(20-24)11-12-25-27-14-13-26(22(4)10-8-9-21(2)3)30(27,6)18-16-28(25)29/h11,21-22,24-28H,7-10,12-20H2,1-6H3/t22?,24-,25?,26+,27?,28?,29-,30+/m0/s1
SMILES: CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@H]2[C@H](O2)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)NC(=O)OCC4=NC5=C(C=CC=C5F)C=C4)NC(=O)OCC6=NC7=C(C=CC=C7F)C=C6
InChI: InChI=1S/C50H52F2N6O7/c1-29(2)41(57-49(61)63-27-35-23-21-33-17-11-19-37(51)43(33)53-35)47(59)55-39(25-31-13-7-5-8-14-31)45-46(65-45)40(26-32-15-9-6-10-16-32)56-48(60)42(30(3)4)58-50(62)64-28-36-24-22-34-18-12-20-38(52)44(34)54-36/h5-24,29-30,39-42,45-46H,25-28H2,1-4H3,(H,55,59)(H,56,60)(H,57,61)(H,58,62)/t39-,40-,41-,42-,45-,46+/m0/s1
SMILES: CCCCCOC(=O)[C@@H]1[C@H]2C=C[C@@]3([C@H]1C(=O)N(C3)C4=CC=C(C=C4)C)O2
InChI: InChI=1S/C21H25NO4/c1-3-4-5-12-25-20(24)17-16-10-11-21(26-16)13-22(19(23)18(17)21)15-8-6-14(2)7-9-15/h6-11,16-18H,3-5,12-13H2,1-2H3/t16-,17-,18-,21-/m1/s1
SMILES: CCCCCCCCCCCCOC(=O)N(CC1=CC=C(C=C1)F)[C@H]2CC(=NOC)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]2(OC5=C4C=C(C=C5)OC6=CC=CC(=C6)C=O)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C55H73FN2O9/c1-4-6-7-8-9-10-11-12-13-18-33-64-54(62)58(38-40-24-26-43(56)27-25-40)51-37-49(57-63-3)47-35-42(21-14-16-30-59)46(23-15-17-31-60)52-48-36-45(66-44-22-19-20-41(34-44)39-61)28-29-50(48)67-55(51,53(47)52)65-32-5-2/h5,19-20,22,24-29,34-36,39,42,46,51-53,59-60H,2,4,6-18,21,23,30-33,37-38H2,1,3H3/t42-,46+,51-,52+,53+,55+/m0/s1
SMILES: C[C@H](COC1=CC=C(C=C1)C[C@H]2CCCC[C@H]2O)OC3=CC=CC=C3
InChI: InChI=1S/C22H28O3/c1-17(25-21-8-3-2-4-9-21)16-24-20-13-11-18(12-14-20)15-19-7-5-6-10-22(19)23/h2-4,8-9,11-14,17,19,22-23H,5-7,10,15-16H2,1H3/t17-,19-,22-/m1/s1
SMILES: CC1(CC(=O)[C@@H]2[C@H](NC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)NC2=C1)C5=CC=CO5)C
InChI: InChI=1S/C26H24N2O3/c1-26(2)14-20-23(21(29)15-26)24(22-9-6-12-31-22)28-18-11-10-17(13-19(18)27-20)25(30)16-7-4-3-5-8-16/h3-14,23-24,27-28H,15H2,1-2H3/t23-,24-/m1/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O[C@H](COCC2=CC=CC=C2)[C@H]([C@H]3[C@H]4[C@H](C[C@@](O3)(C(=O)N4)SC5=CC=CC=C5)OC(=O)C)OC(=O)C)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8
InChI: InChI=1S/C53H57NO12S/c1-35-46(59-31-39-21-11-5-12-22-39)49(60-32-40-23-13-6-14-24-40)50(61-33-41-25-15-7-16-26-41)51(62-35)65-44(34-58-30-38-19-9-4-10-20-38)47(64-37(3)56)48-45-43(63-36(2)55)29-53(66-48,52(57)54-45)67-42-27-17-8-18-28-42/h4-28,35,43-51H,29-34H2,1-3H3,(H,54,57)/t35-,43-,44+,45+,46+,47+,48+,49+,50-,51+,53-/m0/s1
SMILES: CC1CCN(N1C(=O)[C@H]2[C@@H]([C@H](C=C(O2)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)OC(C)(C)C)NC(=O)C)C
InChI: InChI=1S/C32H40N4O7/c1-20-17-18-35(6)36(20)29(38)28-26(33-21(2)37)24(34-31(40)43-32(3,4)5)19-25(41-28)30(39)42-27(22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,19-20,24,26-28H,17-18H2,1-6H3,(H,33,37)(H,34,40)/t20?,24-,26+,28+/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]([C@H]2C(=O)NC3=NC4=CC=CC=C4S3)C(=O)O
InChI: InChI=1S/C16H14N2O3S/c19-14(12-8-5-6-9(7-8)13(12)15(20)21)18-16-17-10-3-1-2-4-11(10)22-16/h1-6,8-9,12-13H,7H2,(H,20,21)(H,17,18,19)/t8-,9+,12-,13-/m0/s1
SMILES: CC1=CC=CC=C1N2C(=O)[C@H]3[C@H](N(O[C@H]3C2=O)C4=CC=CC=C4)C5=CN=CC=C5
InChI: InChI=1S/C23H19N3O3/c1-15-8-5-6-12-18(15)25-22(27)19-20(16-9-7-13-24-14-16)26(29-21(19)23(25)28)17-10-3-2-4-11-17/h2-14,19-21H,1H3/t19-,20+,21+/m0/s1
SMILES: CCCCN(C)C(=O)CCCCC[C@@H]1CC(=O)[C@@]2([C@@H]1[C@@H]3CCC4=C([C@H]3CC2)C=CC(=C4)OC)C
InChI: InChI=1S/C30H45NO3/c1-5-6-18-31(3)28(33)11-9-7-8-10-22-20-27(32)30(2)17-16-25-24-15-13-23(34-4)19-21(24)12-14-26(25)29(22)30/h13,15,19,22,25-26,29H,5-12,14,16-18,20H2,1-4H3/t22-,25-,26-,29+,30-/m1/s1
SMILES: CCCC1CCC(CC1)C(=O)/C=C/[C@H]2[C@@H](C[C@@H]([C@@H]2C/C=C\CCCC(=O)OC)OC(=O)C)OC3CCCCO3
InChI: InChI=1S/C32H50O7/c1-4-11-24-15-17-25(18-16-24)28(34)20-19-27-26(12-7-5-6-8-13-31(35)36-3)29(38-23(2)33)22-30(27)39-32-14-9-10-21-37-32/h5,7,19-20,24-27,29-30,32H,4,6,8-18,21-22H2,1-3H3/b7-5-,20-19+/t24?,25?,26-,27-,29+,30-,32?/m1/s1
SMILES: CC/C=C\[C@H]1[C@H](O1)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C
InChI: InChI=1S/C23H30O2Si/c1-5-6-17-21-22(25-21)18-24-26(23(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h6-17,21-22H,5,18H2,1-4H3/b17-6-/t21-,22+/m0/s1
SMILES: C1CC[N+]2([C@H](C1)[C@@H]3[C@H](O2)[C@H](CCOC3=O)SC4=CC=CC=C4)CC5=CC=CC=C5.[Br-]
InChI: InChI=1S/C24H28NO3S.BrH/c26-24-22-20-13-7-8-15-25(20,17-18-9-3-1-4-10-18)28-23(22)21(14-16-27-24)29-19-11-5-2-6-12-19;/h1-6,9-12,20-23H,7-8,13-17H2;1H/q+1;/p-1/t20-,21+,22-,23-,25?;/m1./s1
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C2=CC(=CC=C2)N3C(=O)[C@@H]4[C@H](C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57
InChI: InChI=1S/C33H26N2O3/c1-18-9-7-10-19(2)30(18)34-31(36)20-11-8-12-21(17-20)35-32(37)28-26-22-13-3-4-14-23(22)27(29(28)33(35)38)25-16-6-5-15-24(25)26/h3-17,26-29H,1-2H3,(H,34,36)/t26?,27?,28-,29+
SMILES: C1CC[C@@H]([C@@H](C1)NS(=O)(=O)C2=CC=C(C=C2)F)NS(=O)(=O)C3=CC=C(C=C3)F
InChI: InChI=1S/C18H20F2N2O4S2/c19-13-5-9-15(10-6-13)27(23,24)21-17-3-1-2-4-18(17)22-28(25,26)16-11-7-14(20)8-12-16/h5-12,17-18,21-22H,1-4H2/t17-,18+
SMILES: CC1=CC2=C([C@@H]3C4[C@H]5C6=C(C(=C7C(=C6[C@@H](N4[C@H]([C@H](C2)N3C)O)COC(=O)[C@@]8(CS5)C9=CC(=C(C=C9CCN8)O)OC)OCO7)C)OC)C(=C1OC)O
InChI: InChI=1S/C38H43N3O10S/c1-16-9-19-10-21-36(44)41-22-13-49-37(45)38(20-12-24(46-4)23(42)11-18(20)7-8-39-38)14-52-35(29(41)28(40(21)3)25(19)30(43)31(16)47-5)27-26(22)34-33(50-15-51-34)17(2)32(27)48-6/h9,11-12,21-22,28-29,35-36,39,42-44H,7-8,10,13-15H2,1-6H3/t21-,22-,28+,29?,35+,36-,38+/m0/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2NC(=S)NNC(=O)C3=NC(=C(C(=C3Cl)N)Cl)Cl
InChI: InChI=1S/C14H16Cl3N5OS/c15-8-10(18)9(16)12(17)20-11(8)13(23)21-22-14(24)19-7-4-5-1-2-6(7)3-5/h5-7H,1-4H2,(H2,18,20)(H,21,23)(H2,19,22,24)/t5-,6+,7-/m0/s1
SMILES: C[C@H]1[C@H](OC(=O)N1[C@@H]2C[C@@H](C=C(O2)C(=O)OC)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C23H23NO5/c1-15-21(17-11-7-4-8-12-17)29-23(26)24(15)20-14-18(16-9-5-3-6-10-16)13-19(28-20)22(25)27-2/h3-13,15,18,20-21H,14H2,1-2H3/t15-,18+,20-,21-/m0/s1
SMILES: C1C=C[C@@H]2[C@@H]1[C@@H](NC3=C2C=CC=C3C(=O)OC4=CC=C(C=C4)C5=CC=CC=C5)C(=O)[O-]
InChI: InChI=1S/C26H21NO4/c28-25(29)24-21-10-4-8-19(21)20-9-5-11-22(23(20)27-24)26(30)31-18-14-12-17(13-15-18)16-6-2-1-3-7-16/h1-9,11-15,19,21,24,27H,10H2,(H,28,29)/p-1/t19-,21+,24+/m0/s1
SMILES: CC(C)C[C@H](C(=O)O)N1C[C@H]2CCN([C@H]2C1=O)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI: InChI=1S/C27H30N2O5/c1-16(2)13-23(26(31)32)29-14-17-11-12-28(24(17)25(29)30)27(33)34-15-22-20-9-5-3-7-18(20)19-8-4-6-10-21(19)22/h3-10,16-17,22-24H,11-15H2,1-2H3,(H,31,32)/t17-,23-,24-/m1/s1
SMILES: C=CCO[C@@]12[C@H](CC(=NOC3CCCCO3)C4=C[C@@H]([C@H]([C@@H]([C@@H]41)C5=C(O2)C=CC(=C5)OC6=CC7=CC=CC=C7C=C6)CCCCO)CCCCO)N(CC8=CC9=C(C=C8)OCO9)C(=O)C=CC1=CC=C(C=C1)[N+](=O)[O-]
InChI: InChI=1S/C59H63N3O12/c1-2-30-71-59-54(61(37-40-18-25-52-53(32-40)70-38-69-52)55(65)27-19-39-16-21-44(22-17-39)62(66)67)36-50(60-74-56-15-7-10-31-68-56)48-34-43(13-5-8-28-63)47(14-6-9-29-64)57(58(48)59)49-35-46(24-26-51(49)73-59)72-45-23-20-41-11-3-4-12-42(41)33-45/h2-4,11-12,16-27,32-35,43,47,54,56-58,63-64H,1,5-10,13-15,28-31,36-38H2/t43-,47+,54-,56?,57+,58+,59+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CCCC[C@H]2NC3=CC=C(C=C3)F
InChI: InChI=1S/C19H23FN2O2S/c1-14-6-12-17(13-7-14)25(23,24)22-19-5-3-2-4-18(19)21-16-10-8-15(20)9-11-16/h6-13,18-19,21-22H,2-5H2,1H3/t18-,19-/m1/s1
SMILES: CC1=CC=CC=C1N2C(=O)[C@@H]3[C@H](N(O[C@H]3C2=O)C4=CC=CC=C4)C5=CC(=CC=C5)Cl
InChI: InChI=1S/C24H19ClN2O3/c1-15-8-5-6-13-19(15)26-23(28)20-21(16-9-7-10-17(25)14-16)27(30-22(20)24(26)29)18-11-3-2-4-12-18/h2-14,20-22H,1H3/t20-,21-,22-/m1/s1
SMILES: COC(=O)C1=CC2=C(C=C1)N[C@H]([C@H]3[C@@H]2C=CC3)C4=CC=C(C=C4)C(=O)[O-]
InChI: InChI=1S/C21H19NO4/c1-26-21(25)14-9-10-18-17(11-14)15-3-2-4-16(15)19(22-18)12-5-7-13(8-6-12)20(23)24/h2-3,5-11,15-16,19,22H,4H2,1H3,(H,23,24)/p-1/t15-,16+,19-/m0/s1
SMILES: C[C@H]1[C@H](O[C@](CC1=C)([C@@H](C(=O)NC[C@@H]2[C@@H]([C@H](C([C@H](O2)C[C@H](CO)O)(C)C)OC)O)O)OC)C
InChI: InChI=1S/C23H41NO9/c1-12-9-23(31-7,33-14(3)13(12)2)19(28)21(29)24-10-16-18(27)20(30-6)22(4,5)17(32-16)8-15(26)11-25/h13-20,25-28H,1,8-11H2,2-7H3,(H,24,29)/t13-,14-,15-,16-,17-,18+,19-,20-,23-/m1/s1
SMILES: CCOC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)[NH2+][C@@H]3CCC[C@@H]([C@@H]3C)C
InChI: InChI=1S/C20H28N2O3/c1-4-25-16-10-8-15(9-11-16)22-19(23)12-18(20(22)24)21-17-7-5-6-13(2)14(17)3/h8-11,13-14,17-18,21H,4-7,12H2,1-3H3/p+1/t13-,14-,17+,18+/m0/s1
SMILES: C1[C@@H]([C@@H]([C@H]([C@@H](C1=O)OCC2=CC=CC=C2)OCC3=CC=CC=C3)COCC4=CC=CC=C4)O
InChI: InChI=1S/C28H30O5/c29-25-16-26(30)28(33-19-23-14-8-3-9-15-23)27(32-18-22-12-6-2-7-13-22)24(25)20-31-17-21-10-4-1-5-11-21/h1-15,24-25,27-29H,16-20H2/t24-,25-,27+,28+/m0/s1
SMILES: C[C@@H]1CC[C@H]2[C@@]([C@@]13CC[C@@](O3)(C)CO)(CC[C@@H]([C@@]2(C)CO)O)C
InChI: InChI=1S/C19H34O4/c1-13-5-6-14-17(3,12-21)15(22)7-8-18(14,4)19(13)10-9-16(2,11-20)23-19/h13-15,20-22H,5-12H2,1-4H3/t13-,14-,15+,16+,17+,18+,19-/m1/s1