EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@H]1C([C@H]2[C@@H]3C[C@H](C4=CC(=O)C=C[C@@]4(C3=CC[C@@]2(C1(CC(=O)O)C(=O)C(CC(=O)O)O)C)C)F)O
InChI: InChI=1S/C26H31FO8/c1-12-22(34)21-14-9-17(27)16-8-13(28)4-6-24(16,2)15(14)5-7-25(21,3)26(12,11-20(32)33)23(35)18(29)10-19(30)31/h4-6,8,12,14,17-18,21-22,29,34H,7,9-11H2,1-3H3,(H,30,31)(H,32,33)/t12-,14-,17-,18?,21-,22?,24-,25+,26?/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)NC(=O)CCCC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C24H30N2O12/c1-13(27)34-12-19-21(35-14(2)28)22(36-15(3)29)23(37-16(4)30)24(38-19)25-20(31)7-5-6-17-8-10-18(11-9-17)26(32)33/h8-11,19,21-24H,5-7,12H2,1-4H3,(H,25,31)/t19-,21+,22+,23-,24-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@@H]([C@@H]3C[C@H]4C5=CC(=C(C=C5CCN4C(=O)C3=CO2)OC(=O)C)OC)C=C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C35H41NO15/c1-8-22-24-12-26-23-13-27(43-7)28(46-17(3)38)11-21(23)9-10-36(26)33(42)25(24)14-45-34(22)51-35-32(49-20(6)41)31(48-19(5)40)30(47-18(4)39)29(50-35)15-44-16(2)37/h8,11,13-14,22,24,26,29-32,34-35H,1,9-10,12,15H2,2-7H3/t22-,24+,26+,29-,30-,31+,32-,34+,35+/m1/s1
SMILES: COC1=C(C=CC(=C1)O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=CC=C(C=C6)F)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)CC8=CC=CS8
InChI: InChI=1S/C38H31ClFN3O6S/c1-49-31-17-24(44)12-13-27(31)33-26-14-15-28-32(36(47)42(34(28)45)19-25-3-2-16-50-25)29(26)18-30-35(46)43(41-23-10-8-22(40)9-11-23)37(48)38(30,33)20-4-6-21(39)7-5-20/h2-14,16-17,28-30,32-33,41,44H,15,18-19H2,1H3/t28-,29+,30-,32-,33+,38+/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@H](OC(O2)(C)C)[C@H]([C@@H](CC=C)NCC3=CC=CC=C3)OCC4=CC=CC=C4)C
InChI: InChI=1S/C29H39NO5/c1-6-13-23(30-18-21-14-9-7-10-15-21)25(31-19-22-16-11-8-12-17-22)27-26(34-29(4,5)35-27)24-20-32-28(2,3)33-24/h6-12,14-17,23-27,30H,1,13,18-20H2,2-5H3/t23-,24-,25+,26-,27-/m1/s1
SMILES: CCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)C.CC(=O)NCCCS(=O)(=O)O.C1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O
InChI: InChI=1S/C20H23NO4.C18H19Cl2NO4.C5H11NO4S/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11;1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20;1-5(7)6-3-2-4-11(8,9)10/h3-4,11,15,18,22,24H,1-2,5-10H2;6-8,15,21H,5H2,1-4H3;2-4H2,1H3,(H,6,7)(H,8,9,10)/t15-,18+,19+,20-;;/m1../s1
SMILES: C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC=O)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)C#CCO
InChI: InChI=1S/C24H20N2O5S/c27-13-7-12-18-14-32-23-19(25-15-28)22(29)26(23)20(18)24(30)31-21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,15,19,21,23,27H,13-14H2,(H,25,28)/t19-,23-/m1/s1
SMILES: C[C@@H](CO)C1=CC=C(C=C1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C16H24O7/c1-9(6-17)11-4-2-10(3-5-11)8-22-16-15(21)14(20)13(19)12(7-18)23-16/h2-5,9,12-21H,6-8H2,1H3/t9-,12+,13+,14-,15+,16+/m0/s1
SMILES: CC1=CSC2=NC(=CC(=O)N12)COC(=O)CCN3C(=O)[C@@H]4CC=CC[C@H]4C3=O
InChI: InChI=1S/C19H19N3O5S/c1-11-10-28-19-20-12(8-15(23)22(11)19)9-27-16(24)6-7-21-17(25)13-4-2-3-5-14(13)18(21)26/h2-3,8,10,13-14H,4-7,9H2,1H3/t13-,14-/m1/s1
SMILES: C[C@H]1CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)[C@H]3C[NH+]4CCCC(C4)(C)C)C
InChI: InChI=1S/C22H35NO2/c1-15-7-5-9-22(4)12-19-16(11-18(15)22)17(20(24)25-19)13-23-10-6-8-21(2,3)14-23/h11,15-17,19H,5-10,12-14H2,1-4H3/p+1/t15-,16+,17-,19+,22+/m0/s1
SMILES: C1CN(CC[NH+]1C[C@@H]2C[C@H]3C[C@@H]2C=C3)C4=CC(=CC=C4)Cl
InChI: InChI=1S/C18H23ClN2/c19-17-2-1-3-18(12-17)21-8-6-20(7-9-21)13-16-11-14-4-5-15(16)10-14/h1-5,12,14-16H,6-11,13H2/p+1/t14-,15+,16+/m1/s1
SMILES: CC1=CN2[C@@H]3[C@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=O
InChI: InChI=1S/C10H12N2O5/c1-4-2-12-9-7(6(14)5(3-13)16-9)17-10(12)11-8(4)15/h2,5-7,9,13-14H,3H2,1H3/t5-,6-,7+,9+/m1/s1
SMILES: C1C2=C(C(=CC(=C2)Br)[C@H]3[C@H](O3)C(=O)C4=C(C=CC(=C4)Cl)OCC5=CC=CC=C5)OCO1
InChI: InChI=1S/C24H18BrClO5/c25-16-8-15-12-28-13-30-22(15)19(9-16)23-24(31-23)21(27)18-10-17(26)6-7-20(18)29-11-14-4-2-1-3-5-14/h1-10,23-24H,11-13H2/t23-,24+/m0/s1
SMILES: CC1(O[C@H]2[C@@H](O[C@@H]([C@H]2O1)N3C(=C(C=N3)C#N)N)CO)C
InChI: InChI=1S/C12H16N4O4/c1-12(2)19-8-7(5-17)18-11(9(8)20-12)16-10(14)6(3-13)4-15-16/h4,7-9,11,17H,5,14H2,1-2H3/t7-,8-,9-,11-/m0/s1
SMILES: C[C@H]1CC[C@@H](C2=C1C(=C(C(=C2)C)O[C@@H]3[C@H]([C@@H]([C@H](CO3)O)O)O)OC)[C@@H](C)CCC=C(C)C
InChI: InChI=1S/C26H40O6/c1-14(2)8-7-9-15(3)18-11-10-16(4)21-19(18)12-17(5)24(25(21)30-6)32-26-23(29)22(28)20(27)13-31-26/h8,12,15-16,18,20,22-23,26-29H,7,9-11,13H2,1-6H3/t15-,16-,18+,20-,22+,23-,26+/m0/s1
SMILES: CC1CCN([C@@H]2[C@H]1CCCC2)CCNC(=O)C3=C(C=CC(=C3)C)O
InChI: InChI=1S/C20H30N2O2/c1-14-7-8-19(23)17(13-14)20(24)21-10-12-22-11-9-15(2)16-5-3-4-6-18(16)22/h7-8,13,15-16,18,23H,3-6,9-12H2,1-2H3,(H,21,24)/t15?,16-,18-/m0/s1
SMILES: C1CCC2(CC1)OC[C@@H](O2)[C@@H]3[C@H](OS(=O)O3)[C@H]4COC5(O4)CCCCC5
InChI: InChI=1S/C18H28O7S/c19-26-24-15(13-11-20-17(22-13)7-3-1-4-8-17)16(25-26)14-12-21-18(23-14)9-5-2-6-10-18/h13-16H,1-12H2/t13-,14-,15-,16-/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=CC(=C5)OC)O)C(=O)N(C4=O)C(C)(C)C)C(=O)N(C2=O)C6=CC(=C(C=C6)F)Cl
InChI: InChI=1S/C32H32ClFN2O6/c1-31(2,3)36-27(38)18-9-8-17-19(25(18)29(36)40)14-21-28(39)35(15-6-10-23(34)22(33)12-15)30(41)32(21,4)26(17)20-13-16(42-5)7-11-24(20)37/h6-8,10-13,18-19,21,25-26,37H,9,14H2,1-5H3/t18-,19+,21-,25-,26+,32+/m0/s1
SMILES: CC1(O[C@@H]2CN([C@@H]([C@@H]2O1)[C@@H](CF)O)C3(C4=CC=CC=C4C5=CC=CC=C53)C6=CC=CC=C6)C
InChI: InChI=1S/C28H28FNO3/c1-27(2)32-24-17-30(25(23(31)16-29)26(24)33-27)28(18-10-4-3-5-11-18)21-14-8-6-12-19(21)20-13-7-9-15-22(20)28/h3-15,23-26,31H,16-17H2,1-2H3/t23-,24-,25-,26-/m1/s1
SMILES: COC1([C@]2([C@H]3CC=CC[C@@H]3[C@@]1(C(=C2Cl)Cl)Cl)Cl)OC
InChI: InChI=1S/C13H14Cl4O2/c1-18-13(19-2)11(16)7-5-3-4-6-8(7)12(13,17)10(15)9(11)14/h3-4,7-8H,5-6H2,1-2H3/t7-,8-,11-,12+/m0/s1
SMILES: CCOC1=C(C=CC(=C1)[C@@H]2[C@@H]3CCCC[C@]3(CCN2C(=O)/C=C/C4=CC(=C(C(=C4)OC)OC)OC)O)O
InChI: InChI=1S/C29H37NO7/c1-5-37-23-18-20(10-11-22(23)31)27-21-8-6-7-13-29(21,33)14-15-30(27)26(32)12-9-19-16-24(34-2)28(36-4)25(17-19)35-3/h9-12,16-18,21,27,31,33H,5-8,13-15H2,1-4H3/b12-9+/t21-,27+,29+/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1C2=CN=C(C=C2)C3=CC=CC=N3)CO)O
InChI: InChI=1S/C15H16N2O3/c18-9-15-13(19)7-14(20-15)10-4-5-12(17-8-10)11-3-1-2-6-16-11/h1-6,8,13-15,18-19H,7,9H2/t13-,14+,15+/m0/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC=C4CNC(=O)CCCCCNC(=O)C)CSC5=CC=CC=C5OC
InChI: InChI=1S/C41H48N2O6S/c1-28-37(27-50-38-14-9-8-13-36(38)47-3)48-41(49-40(28)32-18-16-30(26-44)17-19-32)33-22-20-31(21-23-33)35-12-7-6-11-34(35)25-43-39(46)15-5-4-10-24-42-29(2)45/h6-9,11-14,16-23,28,37,40-41,44H,4-5,10,15,24-27H2,1-3H3,(H,42,45)(H,43,46)/t28-,37+,40+,41+/m0/s1
SMILES: COC1=CC(=CC(=C1OC)OC)[C@H]2[C@H]([C@@H]([C@H](C3=CC4=C(C=C23)OCO4)O)C(=O)OC)C(=O)OC
InChI: InChI=1S/C24H26O10/c1-28-16-6-11(7-17(29-2)22(16)30-3)18-12-8-14-15(34-10-33-14)9-13(12)21(25)20(24(27)32-5)19(18)23(26)31-4/h6-9,18-21,25H,10H2,1-5H3/t18-,19-,20+,21+/m1/s1
SMILES: CC1=CC=C(C=C1)OC2=CC3=C(C=C2)NC(=O)[C@@H]([C@@H](S3)C4=CC=C(C=C4)OC)O
InChI: InChI=1S/C23H21NO4S/c1-14-3-7-17(8-4-14)28-18-11-12-19-20(13-18)29-22(21(25)23(26)24-19)15-5-9-16(27-2)10-6-15/h3-13,21-22,25H,1-2H3,(H,24,26)/t21-,22+/m1/s1
SMILES: CCOC(=O)CNC(=O)NCC1=CC=CC=C1C2=CC=C(C=C2)[C@H]3O[C@H]([C@H]([C@H](O3)C4=CC=C(C=C4)CO)C)CSC5=NN=CN5C
InChI: InChI=1S/C34H39N5O6S/c1-4-43-30(41)18-36-33(42)35-17-27-7-5-6-8-28(27)24-13-15-26(16-14-24)32-44-29(20-46-34-38-37-21-39(34)3)22(2)31(45-32)25-11-9-23(19-40)10-12-25/h5-16,21-22,29,31-32,40H,4,17-20H2,1-3H3,(H2,35,36,42)/t22-,29+,31+,32+/m1/s1
SMILES: C[C@H]1[C@@H](C(=O)O[C@H]2[C@@H]([C@@H]([C@]3([C@@H](C(=O)[C@@H]4[C@H]([C@@]3(C2(C)O)O[C@]4(COC(=O)C5=C1N=CC=C5)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C
InChI: InChI=1S/C36H43NO17/c1-15-16(2)31(44)53-29-26(49-18(4)39)30(52-21(7)42)35(14-47-17(3)38)28(51-20(6)41)25(43)23-27(50-19(5)40)36(35,34(29,9)46)54-33(23,8)13-48-32(45)22-11-10-12-37-24(15)22/h10-12,15-16,23,26-30,46H,13-14H2,1-9H3/t15-,16-,23+,26-,27+,28+,29-,30-,33-,34?,35+,36-/m0/s1
SMILES: CN1[C@H]2CC=C([C@@H]1C3=C(C4=CC=CC=C4N3[C@H]2C(=O)OC)CCO)/C=C/C(=O)OC
InChI: InChI=1S/C23H26N2O5/c1-24-18-10-8-14(9-11-19(27)29-2)20(24)21-16(12-13-26)15-6-4-5-7-17(15)25(21)22(18)23(28)30-3/h4-9,11,18,20,22,26H,10,12-13H2,1-3H3/b11-9+/t18-,20+,22+/m0/s1
SMILES: C1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O)O
InChI: InChI=1S/C21H20O8/c22-9-16-18(24)19(25)20(26)21(29-16)28-12-6-7-13-15(8-12)27-10-14(17(13)23)11-4-2-1-3-5-11/h1-8,10,16,18-22,24-26H,9H2/t16-,18+,19+,20-,21+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)C23CC4CC(C2)CC(C4)C3
InChI: InChI=1S/C21H33NO3/c1-13-5-3-4-6-18(13)22-19(23)14(2)25-20(24)21-10-15-7-16(11-21)9-17(8-15)12-21/h13-18H,3-12H2,1-2H3,(H,22,23)/t13-,14-,15?,16?,17?,18-,21?/m1/s1
SMILES: COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@H]3C[C@@H]4CCN3C[C@H]4C=C)O.Cl
InChI: InChI=1S/C20H24N2O2.ClH/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1H/t13-,14+,19-,20-;/m1./s1
SMILES: CC(=O)O[C@@H]1[C@H]([C@H](CO[C@@H]1OCC=C)O)OC(=O)C2=CC=CC=C2
InChI: InChI=1S/C17H20O7/c1-3-9-21-17-15(23-11(2)18)14(13(19)10-22-17)24-16(20)12-7-5-4-6-8-12/h3-8,13-15,17,19H,1,9-10H2,2H3/t13-,14-,15+,17-/m0/s1
SMILES: CC1([C@@H]2CC[C@]1([C@@H](C2)O[C@@H]3C[C@@H](C(=C=[N-])[N+](=O)O3)C4=CC=CC=C4)CS(=O)(=O)N(C5CCCCC5)C6CCCCC6)C
InChI: InChI=1S/C33H47N3O5S/c1-32(2)25-18-19-33(32,23-42(38,39)35(26-14-8-4-9-15-26)27-16-10-5-11-17-27)30(20-25)40-31-21-28(24-12-6-3-7-13-24)29(22-34)36(37)41-31/h3,6-7,12-13,25-28,30-31H,4-5,8-11,14-21,23H2,1-2H3/t25-,28-,30-,31+,33-/m1/s1
SMILES: C1[C@H]2[C@H](CS1(=O)=O)SC(=NC(=O)CCCC(=O)O)N2CC3=CC=C(C=C3)F
InChI: InChI=1S/C17H19FN2O5S2/c18-12-6-4-11(5-7-12)8-20-13-9-27(24,25)10-14(13)26-17(20)19-15(21)2-1-3-16(22)23/h4-7,13-14H,1-3,8-10H2,(H,22,23)/t13-,14-/m0/s1
SMILES: [2H][C@]1([C@@H](O[C@]([C@@]1([2H])OCC2=CC=CC=C2)([2H])C([2H])([2H])OCC3=CC=CC=C3)OC)O
InChI: InChI=1S/C20H24O5/c1-22-20-18(21)19(24-13-16-10-6-3-7-11-16)17(25-20)14-23-12-15-8-4-2-5-9-15/h2-11,17-21H,12-14H2,1H3/t17-,18+,19-,20-/m1/s1/i14D2,17D,18D,19D
SMILES: CCOC1=C(C=C2C(=C1)CCN[C@]23CS[C@H]4C5[C@H]6C7=C(C[C@H](N6C)[C@@H](N5[C@@H](COC3=O)C8=C9C(=C(C(=C48)OC(=O)C)C)OCO9)O)C=C(C(=C7O)OC)C)OC
InChI: InChI=1S/C41H47N3O11S/c1-8-51-27-13-21-9-10-42-41(23(21)14-26(27)49-6)16-56-38-30-29(37-36(53-17-54-37)19(3)35(30)55-20(4)45)25(15-52-40(41)48)44-32(38)31-28-22(12-24(39(44)47)43(31)5)11-18(2)34(50-7)33(28)46/h11,13-14,24-25,31-32,38-39,42,46-47H,8-10,12,15-17H2,1-7H3/t24-,25-,31+,32?,38+,39-,41+/m0/s1
SMILES: CCCCC#CC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCC)O)O)NC(=O)NC4=CC(=CC=C4)Cl
InChI: InChI=1S/C25H28ClN7O5/c1-3-5-6-7-11-16-30-21(32-25(37)29-15-10-8-9-14(26)12-15)17-22(31-16)33(13-28-17)24-19(35)18(34)20(38-24)23(36)27-4-2/h8-10,12-13,18-20,24,34-35H,3-6H2,1-2H3,(H,27,36)(H2,29,30,31,32,37)/t18-,19+,20-,24+/m0/s1
SMILES: C1=CC=C(C=C1)COC(=O)N[C@H]2[C@H](N(C2=O)S(=O)(=O)O)N3C(=O)C4=CC=CC=C4C3=O
InChI: InChI=1S/C19H15N3O8S/c23-16-12-8-4-5-9-13(12)17(24)21(16)15-14(18(25)22(15)31(27,28)29)20-19(26)30-10-11-6-2-1-3-7-11/h1-9,14-15H,10H2,(H,20,26)(H,27,28,29)/t14-,15-/m0/s1
SMILES: CC1(O[C@H]2[C@H](O[C@H]([C@@H]([C@H]2O1)OC(=O)C3=CC=CC=C3)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)N=[N+]=[N-])COC(=O)C7=CC=CC=C7)COC(=O)C8=CC=CC=C8)C
InChI: InChI=1S/C50H45N3O15/c1-50(2)67-38-36(29-60-45(55)31-20-10-4-11-21-31)62-49(42(40(38)68-50)65-48(58)34-26-16-7-17-27-34)66-37-35(28-59-44(54)30-18-8-3-9-19-30)61-43(52-53-51)41(64-47(57)33-24-14-6-15-25-33)39(37)63-46(56)32-22-12-5-13-23-32/h3-27,35-43,49H,28-29H2,1-2H3/t35-,36-,37-,38+,39+,40+,41-,42-,43-,49+/m1/s1
SMILES: CC[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=C(C=C34)CCC5=CC=CC=C5)O
InChI: InChI=1S/C27H32O2/c1-2-27-15-14-21-22(24(27)12-13-26(27)29)11-10-19-17-25(28)20(16-23(19)21)9-8-18-6-4-3-5-7-18/h3-7,16-17,21-22,24,28H,2,8-15H2,1H3/t21-,22+,24-,27-/m0/s1
SMILES: C[C@@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@@]4([C@@H]3CC[C@@H]4O)C
InChI: InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14+,15-,16+,17+,18-,19-/m1/s1
SMILES: CC1=CC[C@@]2([C@@]3(C[C@@]4([C@]5([C@]([C@H]([C@@]3([C@]5([C@]2([C@H]1O)O4)O)O)OC(=O)C6=CC=CN6)(C(C)C)O)C)O)CO)O
InChI: InChI=1S/C25H33NO10/c1-12(2)22(32)17(35-16(29)14-6-5-9-26-14)23(33)19(11-27)10-21(31)18(22,4)25(23,34)24(36-21)15(28)13(3)7-8-20(19,24)30/h5-7,9,12,15,17,26-28,30-34H,8,10-11H2,1-4H3/t15-,17+,18-,19+,20-,21+,22+,23+,24+,25+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)([C@H]([C@H]2[C@H]([C@H](OC([C@@H]2O)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC)OC(=O)C
InChI: InChI=1S/C35H49NO22/c1-14(37)36-27-23(51-17(4)40)11-35(34(47)48-10,58-31(27)30(54-20(7)43)25(52-18(5)41)13-50-16(3)39)32(55-21(8)44)26-28(46)33(56-22(9)45)57-24(12-49-15(2)38)29(26)53-19(6)42/h23-33,46H,11-13H2,1-10H3,(H,36,37)/t23-,24+,25+,26+,27+,28+,29-,30+,31+,32-,33?,35-/m0/s1
SMILES: CCCCC(=O)CO[C@@H]1[C@H](CC(O1)N2C=C(C(=O)NC2=O)C)O
InChI: InChI=1S/C15H22N2O6/c1-3-4-5-10(18)8-22-14-11(19)6-12(23-14)17-7-9(2)13(20)16-15(17)21/h7,11-12,14,19H,3-6,8H2,1-2H3,(H,16,20,21)/t11-,12?,14-/m0/s1
SMILES: CC(OC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)/C(=N/OC)/C3=CC=CO3)COC(=O)N)OC(=O)C(C)(C)OC
InChI: InChI=1S/C23H28N4O11S/c1-11(38-21(31)23(2,3)33-4)37-20(30)16-12(9-36-22(24)32)10-39-19-15(18(29)27(16)19)25-17(28)14(26-34-5)13-7-6-8-35-13/h6-8,11,15,19H,9-10H2,1-5H3,(H2,24,32)(H,25,28)/b26-14+/t11?,15-,19-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@H]1[C@H]([C@@H]([C@H](C(=O)N1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C36H81NO6Si5/c1-32(2,3)44(16,17)39-26-27-28(40-45(18,19)33(4,5)6)29(41-46(20,21)34(7,8)9)30(42-47(22,23)35(10,11)12)31(38)37(27)43-48(24,25)36(13,14)15/h27-30H,26H2,1-25H3/t27-,28+,29-,30+/m0/s1
SMILES: COC(=O)[C@]12CNC[C@H]1[C@@]3(CC[C@H]2C4=C3C=CS4)C5=CC=CC=C5
InChI: InChI=1S/C20H21NO2S/c1-23-18(22)20-12-21-11-16(20)19(13-5-3-2-4-6-13)9-7-14(20)17-15(19)8-10-24-17/h2-6,8,10,14,16,21H,7,9,11-12H2,1H3/t14-,16-,19-,20-/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)CN2C(=O)[C@@](NC2=O)(C)C3=C(C=CC(=C3)F)F
InChI: InChI=1S/C20H25F2N3O3/c1-11-5-4-6-16(12(11)2)23-17(26)10-25-18(27)20(3,24-19(25)28)14-9-13(21)7-8-15(14)22/h7-9,11-12,16H,4-6,10H2,1-3H3,(H,23,26)(H,24,28)/t11-,12+,16-,20+/m0/s1
SMILES: CCOC(=O)C(=[N+]=[N-])C(=O)OOP(=O)(O)OC[C@@H]1C[C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O
InChI: InChI=1S/C15H18N7O10P/c1-2-28-14(24)10(21-17)15(25)31-32-33(26,27)29-4-7-3-8(23)13(30-7)22-6-20-9-11(16)18-5-19-12(9)22/h5-8,13,23H,2-4H2,1H3,(H,26,27)(H2,16,18,19)/t7-,8+,13+/m0/s1
SMILES: CC1=C(C(=CC=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=C(C(=C(C(=C6F)F)F)F)F)Cl)Cl)C(=O)N(C4=O)C7=CC(=C(C=C7)C)Cl)O
InChI: InChI=1S/C34H22Cl3F5N2O5/c1-12-6-7-14(10-19(12)35)43-29(46)16-9-8-15-18(20(16)30(43)47)11-33(36)31(48)44(27-25(41)23(39)22(38)24(40)26(27)42)32(49)34(33,37)21(15)17-5-3-4-13(2)28(17)45/h3-8,10,16,18,20-21,45H,9,11H2,1-2H3/t16-,18+,20-,21+,33+,34-/m0/s1
SMILES: C[C@]12CC3=C(C=C1CC[C@@]24OC[C@H](O4)C=C)N(N=C3)C5=CC=C(C=C5)F
InChI: InChI=1S/C21H21FN2O2/c1-3-18-13-25-21(26-18)9-8-15-10-19-14(11-20(15,21)2)12-23-24(19)17-6-4-16(22)5-7-17/h3-7,10,12,18H,1,8-9,11,13H2,2H3/t18-,20+,21+/m1/s1
SMILES: CC1([C@H]([C@H]1C(=O)OC(C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3)C=C(Cl)Cl)C
InChI: InChI=1S/C22H18Cl2FNO3/c1-22(2)15(11-19(23)24)20(22)21(27)29-18(12-26)13-8-9-16(25)17(10-13)28-14-6-4-3-5-7-14/h3-11,15,18,20H,1-2H3/t15-,18?,20-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@]2(CCCC(C2CC[C@@]1(C)OC(=O)C)(C)C)C
InChI: InChI=1S/C19H32O4/c1-13(20)22-12-16-18(5)10-7-9-17(3,4)15(18)8-11-19(16,6)23-14(2)21/h15-16H,7-12H2,1-6H3/t15?,16-,18+,19-/m1/s1
SMILES: CN1[C@@H]([C@H]([C@@](N(C1=S)C)(C(F)(F)F)O)C(=O)C2=CC=CS2)C3=CC=CC=C3
InChI: InChI=1S/C18H17F3N2O2S2/c1-22-14(11-7-4-3-5-8-11)13(15(24)12-9-6-10-27-12)17(25,18(19,20)21)23(2)16(22)26/h3-10,13-14,25H,1-2H3/t13-,14+,17-/m0/s1
SMILES: CN(C)CCCN1C[C@@]23C=C[C@@H](O2)[C@@H]([C@@H]3C1=O)C(=O)O
InChI: InChI=1S/C14H20N2O4/c1-15(2)6-3-7-16-8-14-5-4-9(20-14)10(13(18)19)11(14)12(16)17/h4-5,9-11H,3,6-8H2,1-2H3,(H,18,19)/t9-,10+,11-,14-/m1/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)NC3=NC=CC(=N3)C4=CC=CS4)NCC5=CC(=CC=C5)C#N
InChI: InChI=1S/C22H21N5O2S/c23-10-14-3-1-4-15(9-14)11-25-17-12-28-21-18(13-29-20(17)21)27-22-24-7-6-16(26-22)19-5-2-8-30-19/h1-9,17-18,20-21,25H,11-13H2,(H,24,26,27)/t17-,18-,20+,21+/m0/s1
SMILES: CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
InChI: InChI=1S/C19H27NO10S/c1-3-9-20(10-4-2)31(27,28)12-7-5-11(6-8-12)18(26)30-19-15(23)13(21)14(22)16(29-19)17(24)25/h5-8,13-16,19,21-23H,3-4,9-10H2,1-2H3,(H,24,25)/t13-,14-,15+,16-,19-/m0/s1
SMILES: COC1=C(C=C(C=C1)[C@H]2[C@H]3CCCC[C@]3(CCN2CC4=CC=CC=C4Cl)O)OC
InChI: InChI=1S/C24H30ClNO3/c1-28-21-11-10-17(15-22(21)29-2)23-19-8-5-6-12-24(19,27)13-14-26(23)16-18-7-3-4-9-20(18)25/h3-4,7,9-11,15,19,23,27H,5-6,8,12-14,16H2,1-2H3/t19-,23+,24-/m1/s1
SMILES: CCN(CC)CC[C@]1([C@H](COC2=C(S1)C=C(C=C2)OC)OC(=O)C)COC(=O)C
InChI: InChI=1S/C21H31NO6S/c1-6-22(7-2)11-10-21(14-27-15(3)23)20(28-16(4)24)13-26-18-9-8-17(25-5)12-19(18)29-21/h8-9,12,20H,6-7,10-11,13-14H2,1-5H3/t20-,21+/m0/s1
SMILES: C1C=C[C@H]2[C@H]1CN3[C@H]([C@H]4CC=C[C@@H]4C5=CC(=CC2=C53)C(=O)O)C6=CC=CC=C6Cl
InChI: InChI=1S/C25H22ClNO2/c26-22-10-2-1-6-19(22)23-18-9-4-8-17(18)21-12-15(25(28)29)11-20-16-7-3-5-14(16)13-27(23)24(20)21/h1-4,6-8,10-12,14,16-18,23H,5,9,13H2,(H,28,29)/t14-,16+,17+,18+,23-/m1/s1
SMILES: COC1=C(C=C(C=C1)NC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)Cl
InChI: InChI=1S/C16H20ClNO2/c1-20-15-5-4-13(9-14(15)17)18-16(19)8-12-7-10-2-3-11(12)6-10/h4-5,9-12H,2-3,6-8H2,1H3,(H,18,19)/t10-,11+,12+/m0/s1
SMILES: C1=CC=C(C=C1)N2[C@H]([C@H]3[C@@H](O2)C(=O)N(C3=O)C4=CC=C(C=C4)F)C5=CC=C(C=C5)C(F)(F)F
InChI: InChI=1S/C24H16F4N2O3/c25-16-10-12-17(13-11-16)29-22(31)19-20(14-6-8-15(9-7-14)24(26,27)28)30(33-21(19)23(29)32)18-4-2-1-3-5-18/h1-13,19-21H/t19-,20-,21+/m0/s1
SMILES: CC[C@@H]1[C@@]([C@H]2CC(=NC(=O)C)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(OC/C(=N\OCC4=CC=C(C=C4)NC(=O)OC)/CO2)C)C)(C)O
InChI: InChI=1S/C42H64N4O13/c1-12-33-42(8,52)34-18-31(43-27(6)47)23(2)19-41(7,55-22-30(21-54-34)45-56-20-28-13-15-29(16-14-28)44-40(51)53-11)37(25(4)35(48)26(5)38(50)58-33)59-39-36(49)32(46(9)10)17-24(3)57-39/h13-16,23-26,32-34,36-37,39,49,52H,12,17-22H2,1-11H3,(H,44,51)/b43-31?,45-30-/t23-,24-,25+,26-,32+,33-,34-,36-,37-,39+,41-,42-/m1/s1
SMILES: C[C@@]12CC[C@@H]3C(=O)O[C@@H](C[C@@]3(C1C(=O)[C@H](C[C@H]2C(=O)OC)OCOC)C)C4=COC=C4
InChI: InChI=1S/C23H30O8/c1-22-7-5-14-21(26)31-17(13-6-8-29-11-13)10-23(14,2)19(22)18(24)16(30-12-27-3)9-15(22)20(25)28-4/h6,8,11,14-17,19H,5,7,9-10,12H2,1-4H3/t14-,15+,16+,17+,19?,22+,23+/m1/s1
SMILES: CCCC[C@]12C=CCN3[C@@H]1[C@]4(CC3)[C@@H]([C@@]([C@@H]2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)Br)OC)C
InChI: InChI=1S/C27H35BrN2O6/c1-6-7-9-25-10-8-12-30-13-11-26(21(25)30)17-14-18(28)20(34-4)15-19(17)29(3)22(26)27(33,24(32)35-5)23(25)36-16(2)31/h8,10,14-15,21-23,33H,6-7,9,11-13H2,1-5H3/t21-,22-,23+,25-,26+,27+/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)OC2=CC=C(C=C2)OC)C(=O)OC)OC(=O)C
InChI: InChI=1S/C20H24O11/c1-10(21)27-15-16(28-11(2)22)18(29-12(3)23)20(31-17(15)19(24)26-5)30-14-8-6-13(25-4)7-9-14/h6-9,15-18,20H,1-5H3/t15-,16-,17-,18+,20+/m0/s1
SMILES: CCCCCC1(O[C@H]2[C@H]3C[C@@]4([C@@H]([C@H]2O1)ON([C@@H]4C(=O)O3)CC5=CC=C(C=C5)C=COCCO)C(=O)N(C)[C@H](CC6=CC=CC=C6)C(=O)NCCO)CCCCC
InChI: InChI=1S/C43H59N3O10/c1-4-6-11-20-42(21-12-7-5-2)54-35-34-28-43(41(51)45(3)33(39(49)44-22-23-47)27-31-13-9-8-10-14-31)37(40(50)53-34)46(56-38(43)36(35)55-42)29-32-17-15-30(16-18-32)19-25-52-26-24-48/h8-10,13-19,25,33-38,47-48H,4-7,11-12,20-24,26-29H2,1-3H3,(H,44,49)/t33-,34-,35+,36+,37-,38-,43-/m1/s1
SMILES: CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC([C@@]45[C@@]3(CC[C@@H]4C5)C)OC)C)C(C)C
InChI: InChI=1S/C30H52O/c1-8-21(19(2)3)10-9-20(4)24-11-12-25-23-17-27(31-7)30-18-22(30)13-16-29(30,6)26(23)14-15-28(24,25)5/h19-27H,8-18H2,1-7H3/t20-,21-,22-,23+,24-,25+,26+,27?,28-,29-,30+/m1/s1
SMILES: C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O[Si](C)(C)C
InChI: InChI=1S/C22H38O2Si/c1-21-12-10-16(24-25(3,4)5)14-15(21)6-7-17-18-8-9-20(23)22(18,2)13-11-19(17)21/h15-19H,6-14H2,1-5H3/t15-,16-,17+,18+,19+,21+,22+/m1/s1
SMILES: CCOC1=C(C=CC(=C1)[C@H]2C(=CC[C@@H]3[C@]2(C(=O)N(C3=O)NC4=CC=C(C=C4)C)C5=CC=CC=C5)C=C)O
InChI: InChI=1S/C31H30N2O4/c1-4-21-13-17-25-29(35)33(32-24-15-11-20(3)12-16-24)30(36)31(25,23-9-7-6-8-10-23)28(21)22-14-18-26(34)27(19-22)37-5-2/h4,6-16,18-19,25,28,32,34H,1,5,17H2,2-3H3/t25-,28+,31+/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(C)C
InChI: InChI=1S/C21H29N3O2S/c1-13(2)22-19(25)12-27-21-23-17-10-6-5-9-16(17)20(26)24(21)18-11-7-8-14(3)15(18)4/h5-6,9-10,13-15,18H,7-8,11-12H2,1-4H3,(H,22,25)/t14-,15+,18+/m0/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)[C@@H]4CCCN4C(=O)C(F)(F)F)CN5CCC(CC5)(C6=CC=C(C=C6)Cl)O
InChI: InChI=1S/C37H41ClF3N3O6/c1-23-31(21-43-18-15-36(48,16-19-43)27-11-13-28(38)14-12-27)49-34(50-32(23)25-9-7-24(22-45)8-10-25)26-4-2-5-29(20-26)42-33(46)30-6-3-17-44(30)35(47)37(39,40)41/h2,4-5,7-14,20,23,30-32,34,45,48H,3,6,15-19,21-22H2,1H3,(H,42,46)/t23-,30+,31+,32+,34+/m1/s1
SMILES: CC[C@@H]1[C@@]([C@@H]2[C@H](CN([C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(OC/C(=C/C/C=C/C4=CC5=CC=CC=C5N=C4)/CO2)C)C)C)C)(C)O
InChI: InChI=1S/C46H69N3O9/c1-12-38-46(8,53)41-28(2)25-49(11)29(3)23-45(7,55-27-34(26-54-41)18-14-13-17-33-22-35-19-15-16-20-36(35)47-24-33)42(31(5)39(50)32(6)43(52)57-38)58-44-40(51)37(48(9)10)21-30(4)56-44/h13,15-20,22,24,28-32,37-38,40-42,44,51,53H,12,14,21,23,25-27H2,1-11H3/b17-13+,34-18+/t28-,29+,30+,31-,32+,37-,38+,40+,41-,42+,44-,45+,46+/m0/s1
SMILES: COC1=CC(=C(C=C1)F)[C@@H]2[C@@H]3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OCC4=CC=CC=C4
InChI: InChI=1S/C27H22FN5O3/c1-35-18-7-8-23(28)20(11-18)24-22-13-33(26(34)36-14-17-5-3-2-4-6-17)10-9-19(22)21(12-29)25(32)27(24,15-30)16-31/h2-9,11,22,24H,10,13-14,32H2,1H3/t22-,24-/m1/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]([C@@H]2NC3=NCCN3)C4=CC=CC=C4
InChI: InChI=1S/C16H21N3/c1-2-4-11(5-3-1)14-12-6-7-13(10-12)15(14)19-16-17-8-9-18-16/h1-5,12-15H,6-10H2,(H2,17,18,19)/t12-,13+,14-,15-/m1/s1
SMILES: CCCCCCCCCCCCOC[C@@H]1[C@@H]2[C@@H]([C@@H]3[C@H](O1)OC(O3)(C)C)OC(O2)(C)C
InChI: InChI=1S/C24H44O6/c1-6-7-8-9-10-11-12-13-14-15-16-25-17-18-19-20(28-23(2,3)27-19)21-22(26-18)30-24(4,5)29-21/h18-22H,6-17H2,1-5H3/t18-,19-,20+,21-,22-/m1/s1
SMILES: C[C@H]1[C@H](C(=O)N(C1=O)C2=CC=CC(=C2)C(F)(F)F)CC3=CC=C(C=C3)C
InChI: InChI=1S/C20H18F3NO2/c1-12-6-8-14(9-7-12)10-17-13(2)18(25)24(19(17)26)16-5-3-4-15(11-16)20(21,22)23/h3-9,11,13,17H,10H2,1-2H3/t13-,17+/m0/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)SCC(=O)N3CCC[C@@H]4[C@@H]3CCCC4
InChI: InChI=1S/C23H33N5OS/c1-23(2,3)18-12-10-17(11-13-18)21-25-26-22(28(21)24)30-15-20(29)27-14-6-8-16-7-4-5-9-19(16)27/h10-13,16,19H,4-9,14-15,24H2,1-3H3/t16-,19+/m1/s1
SMILES: CC(C)C[C@H]1[C@H]2[C@@H](C(=O)N(C2=O)C)[C@@]3([NH2+]1)C4=CC=CC=C4N(C3=O)C
InChI: InChI=1S/C19H23N3O3/c1-10(2)9-12-14-15(17(24)22(4)16(14)23)19(20-12)11-7-5-6-8-13(11)21(3)18(19)25/h5-8,10,12,14-15,20H,9H2,1-4H3/p+1/t12-,14-,15-,19-/m0/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)O[C@H]1CC=C2[C@H]3[C@@H]1[C@H]([C@H](O3)CC2=O)C(=O)OC
InChI: InChI=1S/C21H34O5Si/c1-11(2)27(12(3)4,13(5)6)26-16-9-8-14-15(22)10-17-19(21(23)24-7)18(16)20(14)25-17/h8,11-13,16-20H,9-10H2,1-7H3/t16-,17+,18-,19-,20-/m0/s1
SMILES: C[C@H]1C[C@@H]([C@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCF)/C)OC)OC(=O)N)\C)C)O)OC
InChI: InChI=1S/C30H42FN3O8/c1-16-12-20-25(33-11-10-31)22(35)15-21(27(20)37)34-29(38)17(2)8-7-9-23(40-5)28(42-30(32)39)19(4)14-18(3)26(36)24(13-16)41-6/h7-9,14-16,18,23-24,26,28,33,36H,10-13H2,1-6H3,(H2,32,39)(H,34,38)/b9-7-,17-8+,19-14+/t16-,18+,23+,24+,26+,28+/m1/s1
SMILES: CC1=CC=C(C=C1)[C@H]2[C@H](N2S(=O)(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4
InChI: InChI=1S/C22H19NO3S/c1-16-12-14-17(15-13-16)20-21(22(24)18-8-4-2-5-9-18)23(20)27(25,26)19-10-6-3-7-11-19/h2-15,20-21H,1H3/t20-,21-,23?/m0/s1
SMILES: C[C@@H](/C=C/[C@]12[C@](O1)(C[C@H](CC2(C)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C)O
InChI: InChI=1S/C19H32O8/c1-10(21)5-6-19-17(2,3)7-11(8-18(19,4)27-19)25-16-15(24)14(23)13(22)12(9-20)26-16/h5-6,10-16,20-24H,7-9H2,1-4H3/b6-5+/t10-,11-,12+,13+,14-,15+,16+,18+,19-/m0/s1