EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CN1C(=O)[C@H]2[C@H](C1=O)[C@]([NH2+][C@H]2C3=CC=CS3)(CCSC)C(=O)OC
InChI: InChI=1S/C16H20N2O4S2/c1-18-13(19)10-11(14(18)20)16(6-8-23-3,15(21)22-2)17-12(10)9-5-4-7-24-9/h4-5,7,10-12,17H,6,8H2,1-3H3/p+1/t10-,11+,12-,16+/m0/s1
SMILES: CC[Si](CC)(CC)O[C@H]1[C@H]([C@@H](O[C@]2([C@H]1OC(=CC2)OS(=O)(=O)C(F)(F)F)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C28H55F3O8SSi3/c1-15-43(16-2,17-3)38-21-22(37-41(11,12)25(4,5)6)24(39-42(13,14)26(7,8)9)35-27(10)19-18-20(34-23(21)27)36-40(32,33)28(29,30)31/h18,21-24H,15-17,19H2,1-14H3/t21-,22+,23-,24-,27+/m0/s1
SMILES: C1=CC(=CC=C1/C=C/C(=O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)O)O)O)O
InChI: InChI=1S/C30H26O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-27(36)28(37)29(38)30(42-24)40-19-11-20(33)26-21(34)13-22(41-23(26)12-19)16-4-8-18(32)9-5-16/h1-13,24,27-33,36-38H,14H2/b10-3+/t24-,27+,28+,29-,30-/m1/s1
SMILES: C[C@@H]1CC[C@@]2([C@@H]([C@@]1(C)[C@@H](C/C(=C/C(=O)O)/C)OC(=O)C)CC[C@@H](C2=C)O)C
InChI: InChI=1S/C22H34O5/c1-13(12-20(25)26)11-19(27-16(4)23)22(6)14(2)9-10-21(5)15(3)17(24)7-8-18(21)22/h12,14,17-19,24H,3,7-11H2,1-2,4-6H3,(H,25,26)/b13-12+/t14-,17+,18+,19-,21+,22+/m1/s1
SMILES: CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C(=O)O
InChI: InChI=1S/C21H28N2O5S/c1-13-3-4-14(2)17(11-13)29(27,28)23-9-7-22(8-10-23)20(24)18-15-5-6-16(12-15)19(18)21(25)26/h3-4,11,15-16,18-19H,5-10,12H2,1-2H3,(H,25,26)/t15-,16+,18-,19+/m1/s1
SMILES: C1CC[NH+]2CCC[C@H]([C@@H]2C1)N3C(=O)C4=CC=CC=C4C3=O
InChI: InChI=1S/C17H20N2O2/c20-16-12-6-1-2-7-13(12)17(21)19(16)15-9-5-11-18-10-4-3-8-14(15)18/h1-2,6-7,14-15H,3-5,8-11H2/p+1/t14-,15+/m0/s1
SMILES: C1=CC=C(C=C1)N[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O
InChI: InChI=1S/C12H17NO5/c14-6-8-9(15)10(16)11(17)12(18-8)13-7-4-2-1-3-5-7/h1-5,8-17H,6H2/t8-,9-,10+,11+,12-/m0/s1
SMILES: C[C@@H]1C[C@@H]([C@H](O[C@H]2C[C@@H]3[C@H](C[C@@H]([C@H]([C@@H](O3)CCO)OC(=O)C)C)O[C@@]2(C1)C)CCOC(=O)C(C)(C)C)O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C
InChI: InChI=1S/C44H66O9Si/c1-29-25-38(53-54(43(7,8)9,32-17-13-11-14-18-32)33-19-15-12-16-20-33)34(22-24-48-41(47)42(4,5)6)51-39-27-36-37(52-44(39,10)28-29)26-30(2)40(49-31(3)46)35(50-36)21-23-45/h11-20,29-30,34-40,45H,21-28H2,1-10H3/t29-,30+,34-,35+,36-,37+,38+,39+,40-,44-/m1/s1
SMILES: CO[C@@H]1[C@H]([C@@H](O[C@@H]([C@@H]1O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)CO)OC)O
InChI: InChI=1S/C14H26O11/c1-21-12-10(20)13(22-2)24-6(4-16)11(12)25-14-9(19)8(18)7(17)5(3-15)23-14/h5-20H,3-4H2,1-2H3/t5-,6-,7+,8+,9-,10-,11+,12-,13-,14-/m1/s1
SMILES: C[C@H]1[C@H]([C@H](OC(=O)O1)C=C(C)C)OC(=O)N(C(C)C)C(C)C
InChI: InChI=1S/C16H27NO5/c1-9(2)8-13-14(12(7)20-16(19)21-13)22-15(18)17(10(3)4)11(5)6/h8,10-14H,1-7H3/t12-,13+,14+/m0/s1
SMILES: CCOP(=O)([C@@H]1CC=C[C@H]([C@H]1C#N)N2[C@@H](CCC2=O)C(=O)OC(C)C)OCC
InChI: InChI=1S/C19H29N2O6P/c1-5-25-28(24,26-6-2)17-9-7-8-15(14(17)12-20)21-16(10-11-18(21)22)19(23)27-13(3)4/h7-8,13-17H,5-6,9-11H2,1-4H3/t14-,15-,16+,17-/m1/s1
SMILES: CC1=C(NC(=C1C(=O)C)C)C2=C(SC3=N[C@@H]4CCCC[C@H]4N23)C
InChI: InChI=1S/C18H23N3OS/c1-9-15(11(3)22)10(2)19-16(9)17-12(4)23-18-20-13-7-5-6-8-14(13)21(17)18/h13-14,19H,5-8H2,1-4H3/t13-,14-/m1/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)/C=C/C3=CC=CC=C3)OCC#C)C
InChI: InChI=1S/C18H20O4/c1-4-12-19-15-14(11-10-13-8-6-5-7-9-13)20-17-16(15)21-18(2,3)22-17/h1,5-11,14-17H,12H2,2-3H3/b11-10+/t14-,15+,16-,17-/m1/s1
SMILES: CN1C2=CC=CC=C2C=C1C(=O)N[C@H]3CCCC[C@H]3C(=O)N[C@H](C#N)C4CC4
InChI: InChI=1S/C22H26N4O2/c1-26-19-9-5-2-6-15(19)12-20(26)22(28)24-17-8-4-3-7-16(17)21(27)25-18(13-23)14-10-11-14/h2,5-6,9,12,14,16-18H,3-4,7-8,10-11H2,1H3,(H,24,28)(H,25,27)/t16-,17+,18-/m1/s1
SMILES: CCCOC(=O)[C@@H]1CC2=C(N1[C@@H]3[C@H]([C@](OC4=C3C=C(C=C4)[N+](=O)[O-])(C)C(OC)OC)O)C=CC(=C2)OC
InChI: InChI=1S/C26H32N2O9/c1-6-11-36-24(30)20-13-15-12-17(33-3)8-9-19(15)27(20)22-18-14-16(28(31)32)7-10-21(18)37-26(2,23(22)29)25(34-4)35-5/h7-10,12,14,20,22-23,25,29H,6,11,13H2,1-5H3/t20-,22-,23+,26+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C19H27ClN2O3S/c1-14-4-2-3-5-18(14)21-19(23)15-10-12-22(13-11-15)26(24,25)17-8-6-16(20)7-9-17/h6-9,14-15,18H,2-5,10-13H2,1H3,(H,21,23)/t14-,18-/m1/s1
SMILES: CC(=O)OC[C@H]1CC(=O)[C@H]([C@H](O1)COC(=O)C)OC(=O)C2=CC=CC=C2
InChI: InChI=1S/C18H20O8/c1-11(19)23-9-14-8-15(21)17(16(25-14)10-24-12(2)20)26-18(22)13-6-4-3-5-7-13/h3-7,14,16-17H,8-10H2,1-2H3/t14-,16-,17-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)CSC2=NN=C(N2C)COC3=CC4=C(CCCC4)C=C3
InChI: InChI=1S/C23H32N4O2S/c1-16-7-3-6-10-20(16)24-22(28)15-30-23-26-25-21(27(23)2)14-29-19-12-11-17-8-4-5-9-18(17)13-19/h11-13,16,20H,3-10,14-15H2,1-2H3,(H,24,28)/t16-,20-/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@H]3[C@H]([C@@H](C(=O)O3)O)OC(O2)(C)C)C
InChI: InChI=1S/C13H20O7/c1-12(2)16-5-6(18-12)8-10-9(7(14)11(15)17-10)20-13(3,4)19-8/h6-10,14H,5H2,1-4H3/t6-,7+,8-,9+,10+/m1/s1
SMILES: C[C@H]1[C@H](OC(=O)N1C(=O)[C@@H](CNC(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C34H32N2O6/c1-24-31(28-15-9-4-10-16-28)42-34(39)36(24)32(37)30(21-35-33(38)41-23-26-13-7-3-8-14-26)27-17-19-29(20-18-27)40-22-25-11-5-2-6-12-25/h2-20,24,30-31H,21-23H2,1H3,(H,35,38)/t24-,30-,31-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(N[C@@H](C)C(=O)OC)OC3=CC=CC(=C3)C(F)(F)F)N=[N+]=[N-]
InChI: InChI=1S/C21H24F3N6O8P/c1-11-9-30(20(33)26-18(11)31)17-8-15(27-29-25)16(37-17)10-36-39(34,28-12(2)19(32)35-3)38-14-6-4-5-13(7-14)21(22,23)24/h4-7,9,12,15-17H,8,10H2,1-3H3,(H,28,34)(H,26,31,33)/t12-,15-,16+,17+,39?/m0/s1
SMILES: CC(C)[Si]1(O[C@H]2CCC[C@@]23[C@H]([C@H]([C@@H](S3)N4C=C(C(=O)NC4=O)F)[Se]C5=CC=CC=C5)O[Si](O1)(C(C)C)C(C)C)C(C)C
InChI: InChI=1S/C30H45FN2O5SSeSi2/c1-18(2)41(19(3)4)36-24-15-12-16-30(24)26(37-42(38-41,20(5)6)21(7)8)25(40-22-13-10-9-11-14-22)28(39-30)33-17-23(31)27(34)32-29(33)35/h9-11,13-14,17-21,24-26,28H,12,15-16H2,1-8H3,(H,32,34,35)/t24-,25+,26-,28+,30-/m0/s1
SMILES: COC1=CC(=CC(=C1O)OC)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=CC=C(C=C6)F)Cl)Cl)C(=O)NC4=O
InChI: InChI=1S/C28H23Cl2FN2O7/c1-39-18-9-12(10-19(40-2)22(18)34)21-15-7-8-16-20(24(36)32-23(16)35)17(15)11-27(29)25(37)33(26(38)28(21,27)30)14-5-3-13(31)4-6-14/h3-7,9-10,16-17,20-21,34H,8,11H2,1-2H3,(H,32,35,36)/t16-,17+,20-,21-,27+,28-/m0/s1
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2[C@H]3C[C@@H]([C@@H]2C(=O)O)C=C3
InChI: InChI=1S/C18H19NO5/c1-2-24-18(23)10-5-7-13(8-6-10)19-16(20)14-11-3-4-12(9-11)15(14)17(21)22/h3-8,11-12,14-15H,2,9H2,1H3,(H,19,20)(H,21,22)/t11-,12+,14+,15+/m1/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)N3C(=O)[C@@H]4CCCC[C@H]4C3=O
InChI: InChI=1S/C25H27NO4/c1-25(2,3)17-11-13-19(14-12-17)30-24(29)16-7-6-8-18(15-16)26-22(27)20-9-4-5-10-21(20)23(26)28/h6-8,11-15,20-21H,4-5,9-10H2,1-3H3/t20-,21-/m1/s1
SMILES: C[C@H]1CC[C@@H]2[C@@H]3[C@]1([C@](CC3)(CC2(C)C)C)O
InChI: InChI=1S/C15H26O/c1-10-5-6-11-12-7-8-14(4,15(10,12)16)9-13(11,2)3/h10-12,16H,5-9H2,1-4H3/t10-,11+,12+,14+,15+/m0/s1
SMILES: CCC(C(C)C)C(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)O
InChI: InChI=1S/C28H42O6/c1-6-19(16(2)3)25(32)34-15-23(31)28(33)12-10-21-20-8-7-17-13-18(29)9-11-26(17,4)24(20)22(30)14-27(21,28)5/h13,16,19-22,24,30,33H,6-12,14-15H2,1-5H3/t19?,20-,21-,22-,24+,26-,27-,28-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)CCC(=O)C2=CC=C(S2)C
InChI: InChI=1S/C19H27NO4S/c1-12-6-4-5-7-15(12)20-19(23)14(3)24-18(22)11-9-16(21)17-10-8-13(2)25-17/h8,10,12,14-15H,4-7,9,11H2,1-3H3,(H,20,23)/t12-,14+,15+/m0/s1
SMILES: CCC1(C2=CC(=C(C=C2[C@@H]3[C@@H](O1)CC4=C(C=C(C=C4O3)O)O)O)O)CC
InChI: InChI=1S/C20H22O6/c1-3-20(4-2)13-9-16(24)15(23)7-11(13)19-18(26-20)8-12-14(22)5-10(21)6-17(12)25-19/h5-7,9,18-19,21-24H,3-4,8H2,1-2H3/t18-,19+/m0/s1
SMILES: C[C@H]1[C@H](N(C(=O)N1C)CC(=O)N(CC2=CC=CC=C2)/C=C(\C3=CC=CC=C3)/O[Si](C)(C)C(C)(C)C)C4=CC=CC=C4
InChI: InChI=1S/C34H43N3O3Si/c1-26-32(29-21-15-10-16-22-29)37(33(39)35(26)5)25-31(38)36(23-27-17-11-8-12-18-27)24-30(28-19-13-9-14-20-28)40-41(6,7)34(2,3)4/h8-22,24,26,32H,23,25H2,1-7H3/b30-24+/t26-,32-/m0/s1
SMILES: C[C@]1([C@@H]2CC[C@@H](C2)C1(C)C)NC(=S)N/N=C\C3=CC=CC=N3
InChI: InChI=1S/C17H24N4S/c1-16(2)12-7-8-13(10-12)17(16,3)20-15(22)21-19-11-14-6-4-5-9-18-14/h4-6,9,11-13H,7-8,10H2,1-3H3,(H2,20,21,22)/b19-11-/t12-,13+,17+/m0/s1
SMILES: C1[C@@H]2[C@H](C[C@H]([C@@H]1Br)Br)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O
InChI: InChI=1S/C15H13Br2NO4/c16-11-5-9-10(6-12(11)17)14(20)18(13(9)19)8-3-1-7(2-4-8)15(21)22/h1-4,9-12H,5-6H2,(H,21,22)/t9-,10+,11-,12-/m1/s1
SMILES: C[C@@H]\1COC(=O)[C@@H](/C=C/[C@H]([C@@H](COC(=O)C/C=C1)OC)C)OCC2=CC=CC=C2
InChI: InChI=1S/C23H30O6/c1-17-8-7-11-22(24)28-16-21(26-3)18(2)12-13-20(23(25)29-14-17)27-15-19-9-5-4-6-10-19/h4-10,12-13,17-18,20-21H,11,14-16H2,1-3H3/b8-7+,13-12+/t17-,18+,20+,21+/m0/s1
SMILES: CCCOC1=CC=CC=C1[C@@H]2[C@H]3C(=NC4=CC=CC=C4N2)CC(CC3=O)(C)C
InChI: InChI=1S/C24H28N2O2/c1-4-13-28-21-12-8-5-9-16(21)23-22-19(14-24(2,3)15-20(22)27)25-17-10-6-7-11-18(17)26-23/h5-12,22-23,26H,4,13-15H2,1-3H3/t22-,23+/m0/s1
SMILES: B(C1=CC(=CC=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)C(=CC(=O)[C@]5([C@H]4C6=C(C=C(C=C6)OC)O)C7=CC=CC=C7)C8=CC=CC=C8)(O)O
InChI: InChI=1S/C41H34BNO8/c1-51-27-15-16-29(34(44)20-27)37-28-17-18-30-36(40(48)43(39(30)47)26-14-8-13-25(19-26)42(49)50)32(28)21-33-38(46)31(23-9-4-2-5-10-23)22-35(45)41(33,37)24-11-6-3-7-12-24/h2-17,19-20,22,30,32-33,36-37,44,49-50H,18,21H2,1H3/t30-,32+,33-,36-,37+,41-/m0/s1
SMILES: C[C@@H]1[C@@H]([C@@H]([C@@]2([C@@H]([C@@]1(C)CCC3=CC(=O)OC3)CCC=C2C(=O)OC)C)O)O
InChI: InChI=1S/C21H30O6/c1-12-17(23)18(24)21(3)14(19(25)26-4)6-5-7-15(21)20(12,2)9-8-13-10-16(22)27-11-13/h6,10,12,15,17-18,23-24H,5,7-9,11H2,1-4H3/t12-,15-,17+,18+,20+,21+/m1/s1
SMILES: CC1=C(C=CC(=C1)O)CC2=C(NN=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(C)C
InChI: InChI=1S/C20H28N2O7/c1-9(2)15-13(7-11-4-5-12(24)6-10(11)3)19(22-21-15)29-20-18(27)17(26)16(25)14(8-23)28-20/h4-6,9,14,16-18,20,23-27H,7-8H2,1-3H3,(H,21,22)/t14-,16-,17+,18-,20+/m1/s1
SMILES: C[C@@H]1CN(C[C@H]1N)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)C(=O)C)F
InChI: InChI=1S/C24H24FN3O5/c1-12-9-27(11-19(12)26)21-18(25)8-16-20(23(21)33-3)28(10-17(22(16)30)24(31)32)15-6-4-14(5-7-15)13(2)29/h4-8,10,12,19H,9,11,26H2,1-3H3,(H,31,32)/t12-,19-/m1/s1
SMILES: CCOC(=O)C1=C(NC(=O)N[C@H]1[C@H]2[C@@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)[C@H]6[C@@H]([C@@H]([C@H](O6)COCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9
InChI: InChI=1S/C59H62N2O11/c1-2-66-58(62)49-50(54-56(69-37-45-29-17-7-18-30-45)52(67-35-43-25-13-5-14-26-43)47(71-54)39-64-33-41-21-9-3-10-22-41)60-59(63)61-51(49)55-57(70-38-46-31-19-8-20-32-46)53(68-36-44-27-15-6-16-28-44)48(72-55)40-65-34-42-23-11-4-12-24-42/h3-32,47-48,50,52-57H,2,33-40H2,1H3,(H2,60,61,63)/t47-,48-,50-,52-,53-,54+,55+,56-,57-/m1/s1
SMILES: CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CN=[N+]=[N-])OCC=C)OS(=O)(=O)O)OS(=O)(=O)O
InChI: InChI=1S/C10H17N3O11S2/c1-3-4-21-7-6(5-12-13-11)22-10(20-2)9(24-26(17,18)19)8(7)23-25(14,15)16/h3,6-10H,1,4-5H2,2H3,(H,14,15,16)(H,17,18,19)/t6-,7-,8+,9+,10+/m1/s1
SMILES: CC1C(CCC(O1)O[C@]2(CC(=O)[C@@]3(C4=C(C=C[C@@]3(C2)O)C(=O)C5=C(C4=O)C=CC(=C5O)C6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)O)C)OC8C=CC(=O)C(O8)C
InChI: InChI=1S/C43H50O16/c1-19-26(44)8-11-32(54-19)57-29-10-13-34(56-21(29)3)59-41(5)17-31(47)43(52)36-25(14-15-42(43,51)18-41)38(49)35-24(39(36)50)7-6-23(37(35)48)30-16-28(46)40(22(4)53-30)58-33-12-9-27(45)20(2)55-33/h6-8,11,14-15,19-22,28-30,32-34,40,46,48,51-52H,9-10,12-13,16-18H2,1-5H3/t19?,20?,21?,22?,28?,29?,30?,32?,33?,34?,40?,41-,42-,43-/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)N)CN4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]
InChI: InChI=1S/C29H34N4O5/c1-20-27(18-31-13-15-32(16-14-31)25-9-11-26(12-10-25)33(35)36)37-29(23-3-2-4-24(30)17-23)38-28(20)22-7-5-21(19-34)6-8-22/h2-12,17,20,27-29,34H,13-16,18-19,30H2,1H3/t20-,27+,28+,29+/m0/s1
SMILES: CN1CCN(CC1)CCCN[C@@H]2CC[C@]3([C@@H]2C3)C4=CC=C(C=C4)C#N
InChI: InChI=1S/C21H30N4/c1-24-11-13-25(14-12-24)10-2-9-23-20-7-8-21(15-19(20)21)18-5-3-17(16-22)4-6-18/h3-6,19-20,23H,2,7-15H2,1H3/t19-,20-,21-/m1/s1
SMILES: CC(C)(C)N1C(=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)I)O)OC)C6=CC=C(C=C6)Cl)NC7=C(C=C(C=N7)C(F)(F)F)Cl
InChI: InChI=1S/C37H32Cl2F3IN4O6/c1-35(2,3)46-31(49)21-10-9-20-22(27(21)33(46)51)14-23-32(50)47(45-30-24(39)13-18(15-44-30)37(40,41)42)34(52)36(23,17-5-7-19(38)8-6-17)28(20)16-11-25(43)29(48)26(12-16)53-4/h5-9,11-13,15,21-23,27-28,48H,10,14H2,1-4H3,(H,44,45)/t21-,22+,23-,27-,28-,36+/m0/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@@H]([C@@H](O2)C=O)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C35H36O6/c36-21-31-33(38-23-28-15-7-2-8-16-28)35(40-25-30-19-11-4-12-20-30)34(39-24-29-17-9-3-10-18-29)32(41-31)26-37-22-27-13-5-1-6-14-27/h1-21,31-35H,22-26H2/t31-,32+,33+,34+,35+/m0/s1
SMILES: C[C@H](CCC=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3([C@H](C[C@@H](C4)OC(=O)C)OC(=O)C)C)C
InChI: InChI=1S/C28H42O5/c1-17(7-6-14-29)23-10-11-24-22-9-8-20-15-21(32-18(2)30)16-26(33-19(3)31)28(20,5)25(22)12-13-27(23,24)4/h8,14,17,21-26H,6-7,9-13,15-16H2,1-5H3/t17-,21-,22+,23-,24+,25+,26+,27-,28+/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]2C6=C(C(=CC=C6)F)O)C(=O)N(C5=O)CCC(=O)O)C(=O)N(C3=O)NC7=C(C=C(C=C7)Cl)Cl
InChI: InChI=1S/C36H30Cl2FN3O8/c1-50-19-8-5-17(6-9-19)36-24(33(47)42(35(36)49)40-27-12-7-18(37)15-25(27)38)16-23-20(30(36)22-3-2-4-26(39)31(22)45)10-11-21-29(23)34(48)41(32(21)46)14-13-28(43)44/h2-10,12,15,21,23-24,29-30,40,45H,11,13-14,16H2,1H3,(H,43,44)/t21-,23+,24-,29-,30+,36+/m0/s1
SMILES: C[C@@]1(CC=C[C@H]([C@@]1(C)C(=O)OC)O[Si](C)(C)C(C)(C)C)C(=O)O
InChI: InChI=1S/C17H30O5Si/c1-15(2,3)23(7,8)22-12-10-9-11-16(4,13(18)19)17(12,5)14(20)21-6/h9-10,12H,11H2,1-8H3,(H,18,19)/t12-,16-,17+/m1/s1
SMILES: C[C@@H]1C[C@@H]([C@@]2([C@@]3([C@]1(C[C@@](O3)(C4=COC=C4)O)C)CCC(=O)[C@]25CO5)COC(=O)C)OC(=O)C
InChI: InChI=1S/C24H30O9/c1-14-9-19(32-16(3)26)21(12-30-15(2)25)22(13-31-22)18(27)5-7-24(21)20(14,4)11-23(28,33-24)17-6-8-29-10-17/h6,8,10,14,19,28H,5,7,9,11-13H2,1-4H3/t14-,19+,20+,21+,22-,23-,24+/m1/s1
SMILES: COC1=CC=C(C=C1)[C@H]2[C@@H]([C@H]([C@@H]([C@H](N2)CO)O)O)O
InChI: InChI=1S/C13H19NO5/c1-19-8-4-2-7(3-5-8)10-12(17)13(18)11(16)9(6-15)14-10/h2-5,9-18H,6H2,1H3/t9-,10+,11-,12+,13+/m1/s1
SMILES: CCSCCNC1=C(C(=O)C2=C(C1=O)[C@H]([C@@]3(N2C[C@H]4[C@@H]3N4C)OC)COC(=O)N)C
InChI: InChI=1S/C20H28N4O5S/c1-5-30-7-6-22-14-10(2)16(25)15-13(17(14)26)11(9-29-19(21)27)20(28-4)18-12(23(18)3)8-24(15)20/h11-12,18,22H,5-9H2,1-4H3,(H2,21,27)/t11-,12+,18+,20-,23?/m1/s1
SMILES: COP(=O)(C[C@@]1(C[C@@H]([C@H](O1)CO)O)N2C=CC(=O)NC2=O)OC
InChI: InChI=1S/C12H19N2O8P/c1-20-23(19,21-2)7-12(5-8(16)9(6-15)22-12)14-4-3-10(17)13-11(14)18/h3-4,8-9,15-16H,5-7H2,1-2H3,(H,13,17,18)/t8-,9+,12-/m0/s1
SMILES: C[C@]1(CC2=C([C@H]([C@H]1C(=O)OC)C3=CC=C(C=C3)Cl)C(=O)NN2)O
InChI: InChI=1S/C16H17ClN2O4/c1-16(22)7-10-12(14(20)19-18-10)11(13(16)15(21)23-2)8-3-5-9(17)6-4-8/h3-6,11,13,22H,7H2,1-2H3,(H2,18,19,20)/t11-,13+,16-/m1/s1
SMILES: C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC(=O)[C@@]45[C@@]3(CC[C@@H]4C5)C)C
InChI: InChI=1S/C28H44O/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-15-25(29)28-16-20(28)11-14-27(28,6)24(21)12-13-26(22,23)5/h7-8,17-24H,9-16H2,1-6H3/b8-7+/t18-,19+,20+,21-,22+,23-,24-,26+,27+,28-/m0/s1
SMILES: CC1CC1C2=NC(CS2)/C=C\CCC3C[C@@H]3[C@@H]4C[C@@]4(C)CC[C@H](CC=C)OC
InChI: InChI=1S/C25H39NOS/c1-5-8-20(27-4)11-12-25(3)15-23(25)22-14-18(22)9-6-7-10-19-16-28-24(26-19)21-13-17(21)2/h5,7,10,17-23H,1,6,8-9,11-16H2,2-4H3/b10-7-/t17?,18?,19?,20-,21?,22-,23-,25+/m0/s1
SMILES: CN1C(=O)N([C@]2([C@]1(NN3C(=O)CSC3=N2)C4=CC=CC=C4)C5=CC=CC=C5)C
InChI: InChI=1S/C20H19N5O2S/c1-23-18(27)24(2)20(15-11-7-4-8-12-15)19(23,14-9-5-3-6-10-14)21-17-25(22-20)16(26)13-28-17/h3-12,22H,13H2,1-2H3/t19-,20-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C4=CSC(=N4)NC(=O)C5=CC=NC=C5)CC[C@@H]6[C@@]3(C=CC(=O)N6C)C
InChI: InChI=1S/C28H34N4O2S/c1-27-12-8-20-18(4-7-23-28(20,2)13-9-24(33)32(23)3)19(27)5-6-21(27)22-16-35-26(30-22)31-25(34)17-10-14-29-15-11-17/h9-11,13-16,18-21,23H,4-8,12H2,1-3H3,(H,30,31,34)/t18-,19-,20-,21+,23+,27-,28+/m0/s1
SMILES: CCCC(CCC)CO[C@H]1[C@@H]([C@@H]2[C@H]([C@H](O1)CO)OC(O2)(C)C)O
InChI: InChI=1S/C17H32O6/c1-5-7-11(8-6-2)10-20-16-13(19)15-14(12(9-18)21-16)22-17(3,4)23-15/h11-16,18-19H,5-10H2,1-4H3/t12-,13-,14+,15-,16-/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@@H]1CC[C@H]2[C@@]1(CC[C@@H]3[C@H]2C[C@H]([C@]4([C@@]3(CCC[C@H]4NC(=O)C)C)O)OC(=O)C)C
InChI: InChI=1S/C31H53NO4/c1-19(2)10-8-11-20(3)24-13-14-25-23-18-28(36-22(5)34)31(35)27(32-21(4)33)12-9-16-30(31,7)26(23)15-17-29(24,25)6/h19-20,23-28,35H,8-18H2,1-7H3,(H,32,33)/t20-,23+,24+,25-,26-,27-,28-,29-,30-,31-/m1/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(=O)OCC2=CC=CC=C2)OC)OC(=O)C
InChI: InChI=1S/C27H35NO13/c1-15(29)28-23-21(38-17(3)31)12-27(35-6,26(34)37-13-20-10-8-7-9-11-20)41-25(23)24(40-19(5)33)22(39-18(4)32)14-36-16(2)30/h7-11,21-25H,12-14H2,1-6H3,(H,28,29)/t21-,22+,23+,24+,25+,27+/m0/s1
SMILES: COC1=NC(=NC(=C1N=NC2=CC=C(C=C2)Cl)N[C@H]3C[C@@H]([C@H]([C@@H]3O)COCC4=CC=CC=C4)OCC5=CC=CC=C5)N
InChI: InChI=1S/C31H33ClN6O4/c1-40-30-27(38-37-23-14-12-22(32)13-15-23)29(35-31(33)36-30)34-25-16-26(42-18-21-10-6-3-7-11-21)24(28(25)39)19-41-17-20-8-4-2-5-9-20/h2-15,24-26,28,39H,16-19H2,1H3,(H3,33,34,35,36)/t24-,25+,26+,28+/m1/s1
SMILES: CC1=CC(=CC(=C1OC)C[C@H](C(=C)C)C(=O)[C@@H]2[C@]3(CCC[C@]3([C@]24C[C@@H](C(O4)(C)C)O)C)C)OC
InChI: InChI=1S/C29H42O5/c1-17(2)21(15-19-14-20(32-8)13-18(3)24(19)33-9)23(31)25-27(6)11-10-12-28(27,7)29(25)16-22(30)26(4,5)34-29/h13-14,21-22,25,30H,1,10-12,15-16H2,2-9H3/t21-,22+,25-,27-,28-,29+/m1/s1
SMILES: C[C@H](CN1CCSCC1)[C@H]2CC=C3[C@@]2(CCC4=C3CC[C@@H]5[C@@]4(CC[C@@H](C5)O)C)C
InChI: InChI=1S/C26H41NOS/c1-18(17-27-12-14-29-15-13-27)22-6-7-23-21-5-4-19-16-20(28)8-10-25(19,2)24(21)9-11-26(22,23)3/h7,18-20,22,28H,4-6,8-17H2,1-3H3/t18-,19+,20+,22-,25+,26-/m1/s1
SMILES: CC1=CN(C(=O)N(C1=O)C)[C@H]2[C@@H]([C@@]3([C@H](O2)CN=C3N4CCC4)OS(=O)(=O)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C22H36N4O7SSi/c1-14-13-26(20(28)24(5)17(14)27)18-16(32-35(7,8)21(2,3)4)22(33-34(6,29)30)15(31-18)12-23-19(22)25-10-9-11-25/h13,15-16,18H,9-12H2,1-8H3/t15-,16+,18-,22-/m1/s1
SMILES: CCO[C@H]1[C@]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)OC(=O)/C=C/C3=CC(=C(C=C3)O)O)O)(C4=CC(=C(C=C4)O)O)O
InChI: InChI=1S/C29H36O15/c1-3-40-28-29(39,15-6-8-17(31)19(33)11-15)26(38)25(44-21(34)9-5-14-4-7-16(30)18(32)10-14)20(43-28)12-41-27-24(37)23(36)22(35)13(2)42-27/h4-11,13,20,22-28,30-33,35-39H,3,12H2,1-2H3/b9-5+/t13-,20+,22-,23+,24+,25+,26-,27+,28+,29+/m0/s1
SMILES: C[C@@H]1CCC(=NC1)[C@@H](C)[C@H]2[C@@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)O)C)C)O
InChI: InChI=1S/C27H43NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-22,24-25,29-30H,5,7-15H2,1-4H3/t16-,17-,19+,20-,21+,22+,24-,25+,26+,27+/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)CSC2=NN=NN2C3=CC(=CC=C3)Cl
InChI: InChI=1S/C17H22ClN5OS/c1-11-5-3-8-15(12(11)2)19-16(24)10-25-17-20-21-22-23(17)14-7-4-6-13(18)9-14/h4,6-7,9,11-12,15H,3,5,8,10H2,1-2H3,(H,19,24)/t11-,12-,15+/m1/s1
SMILES: C1CNCC1SCC2=C(SN=N2)SC3=C(N4[C@@H]([C@@H](C4=O)NC(=O)CC5=CC=CC=C5)SC3)C(=O)O
InChI: InChI=1S/C22H23N5O4S4/c28-16(8-12-4-2-1-3-5-12)24-17-19(29)27-18(21(30)31)15(11-33-20(17)27)34-22-14(25-26-35-22)10-32-13-6-7-23-9-13/h1-5,13,17,20,23H,6-11H2,(H,24,28)(H,30,31)/t13?,17-,20-/m1/s1
SMILES: COC(=O)COC[C@@H]1[C@H]2[C@@H]([C@@H]3[C@H](O1)OC4(O3)CCCCC4)OC5(O2)CCCCC5
InChI: InChI=1S/C21H32O8/c1-23-15(22)13-24-12-14-16-17(27-20(26-16)8-4-2-5-9-20)18-19(25-14)29-21(28-18)10-6-3-7-11-21/h14,16-19H,2-13H2,1H3/t14-,16+,17+,18-,19-/m1/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1CCO)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C27H56O4Si2/c1-12-13-14-15-21(30-32(8,9)26(2,3)4)16-17-23-22(18-19-28)24(29)20-25(23)31-33(10,11)27(5,6)7/h16-17,21-25,28-29H,12-15,18-20H2,1-11H3/b17-16+/t21-,22+,23+,24-,25+/m0/s1
SMILES: CCCCCCCCCCCCCC[C@@H]1[C@@H](OC(O1)(C)C)[C@H](C2=NC=CS2)O[Si](C)(C)C
InChI: InChI=1S/C26H49NO3SSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-22-23(29-26(2,3)28-22)24(30-32(4,5)6)25-27-20-21-31-25/h20-24H,7-19H2,1-6H3/t22-,23-,24-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)[N+](=O)[O-])NC4CCCC4)OC(=O)C)OC(=O)C
InChI: InChI=1S/C21H26N6O9/c1-10(28)33-8-14-16(34-11(2)29)17(35-12(3)30)20(36-14)26-9-22-15-18(23-13-6-4-5-7-13)24-21(27(31)32)25-19(15)26/h9,13-14,16-17,20H,4-8H2,1-3H3,(H,23,24,25)/t14-,16-,17-,20-/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@H]1CCCCC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C1=O)OC(=O)N4CC5=CC=CC=C5C4)C(=O)N(S(=O)(=O)C)S(=O)(=O)C
InChI: InChI=1S/C34H47N5O11S2/c1-33(2,3)50-31(43)35-26-16-10-8-6-7-9-15-24-18-34(24,30(42)39(51(4,45)46)52(5,47)48)36-28(40)27-17-25(21-38(27)29(26)41)49-32(44)37-19-22-13-11-12-14-23(22)20-37/h9,11-15,24-27H,6-8,10,16-21H2,1-5H3,(H,35,43)(H,36,40)/b15-9-/t24-,25-,26+,27+,34-/m1/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)NC5=CC=C(C=C5)OC6=CC=CC=C6)CSC7=NC(=C(O7)C8=CC=CC=C8)C9=CC=CC=C9
InChI: InChI=1S/C54H47N3O6S/c1-36-48(35-64-54-57-49(39-13-5-2-6-14-39)51(63-54)40-15-7-3-8-16-40)61-52(62-50(36)41-23-21-37(34-58)22-24-41)42-27-25-38(26-28-42)47-20-12-11-17-43(47)33-55-53(59)56-44-29-31-46(32-30-44)60-45-18-9-4-10-19-45/h2-32,36,48,50,52,58H,33-35H2,1H3,(H2,55,56,59)/t36-,48+,50+,52+/m0/s1
SMILES: CCOC(=O)C(=C)C[C@H]1[C@H]([C@@H]([C@@H](CO1)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C17H24O9/c1-6-22-17(21)9(2)7-13-15(25-11(4)19)16(26-12(5)20)14(8-23-13)24-10(3)18/h13-16H,2,6-8H2,1,3-5H3/t13-,14+,15+,16+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C[C@@H]4[C@@]3(CC[C@@H](C4)OS(=O)(=O)C)C)C
InChI: InChI=1S/C28H48O4S/c1-18(2)8-7-9-19(3)22-10-11-23-26-24(13-15-28(22,23)5)27(4)14-12-21(32-33(6,30)31)16-20(27)17-25(26)29/h18-24,26H,7-17H2,1-6H3/t19-,20-,21+,22-,23+,24+,26+,27+,28-/m1/s1
SMILES: C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(CCC5[C@@]4(CCC(=O)C5(C)C)C)C)[C@@]1(CC(CC2)(C)C)OO)C
InChI: InChI=1S/C30H48O3/c1-24(2)15-16-26(5)17-18-29(8)22(30(26,19-24)33-32)10-9-21-27(6)13-12-23(31)25(3,4)20(27)11-14-28(21,29)7/h10,20-21,32H,9,11-19H2,1-8H3/t20?,21-,26-,27+,28-,29-,30-/m1/s1
SMILES: C1=CC=C2C(=C1)C=C(O2)CCC(=O)C3=C(C=CC=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
InChI: InChI=1S/C23H24O9/c24-11-18-20(27)21(28)22(29)23(32-18)31-17-7-3-5-14(25)19(17)15(26)9-8-13-10-12-4-1-2-6-16(12)30-13/h1-7,10,18,20-25,27-29H,8-9,11H2/t18-,20-,21+,22-,23-/m1/s1
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=NC5=O)NC(=O)OCC6=CC(=C(C=C6[N+](=O)[O-])OC)OC)O
InChI: InChI=1S/C40H40N4O12/c1-50-29-14-10-27(11-15-29)40(26-8-6-5-7-9-26,28-12-16-30(51-2)17-13-28)55-24-35-32(45)22-37(56-35)43-19-18-36(41-38(43)46)42-39(47)54-23-25-20-33(52-3)34(53-4)21-31(25)44(48)49/h5-21,32,35,37,45H,22-24H2,1-4H3,(H,41,42,46,47)/t32-,35+,37+/m0/s1
SMILES: CC[C@H]1CN(CC[C@H]1CC(=O)[O-])C(=O)NC2=CC=CC(=C2)C(=O)OCC
InChI: InChI=1S/C19H26N2O5/c1-3-13-12-21(9-8-14(13)11-17(22)23)19(25)20-16-7-5-6-15(10-16)18(24)26-4-2/h5-7,10,13-14H,3-4,8-9,11-12H2,1-2H3,(H,20,25)(H,22,23)/p-1/t13-,14-/m0/s1
SMILES: C1CC2=NC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)N[C@H]([C@H]2C(=O)C1)C5=CC=CO5
InChI: InChI=1S/C24H20N2O3/c27-20-9-4-8-18-22(20)23(21-10-5-13-29-21)26-19-14-16(11-12-17(19)25-18)24(28)15-6-2-1-3-7-15/h1-3,5-7,10-14,22-23,26H,4,8-9H2/t22-,23+/m1/s1
SMILES: CC(=O)OC[C@H]1[C@@H]([C@@H](C(O1)[N+]2=C(C3=C(N=C2)N(C=N3)C4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)O)O)O)N)O)O
InChI: InChI=1S/C17H25N5O15P2/c1-6(23)33-2-7-10(24)12(26)16(35-7)21-5-20-15-9(14(21)18)19-4-22(15)17-13(27)11(25)8(36-17)3-34-39(31,32)37-38(28,29)30/h4-5,7-8,10-13,16-18,24-27H,2-3H2,1H3,(H3,28,29,30,31,32)/p+1/t7-,8+,10-,11+,12-,13+,16?,17?/m0/s1
SMILES: C[C@@H]1C[C@@H]2[C@H](O[C@]3([C@H]1[C@]4(CC[C@@]56C[C@@]57CC[C@@H](C(C7CC=C6[C@@]4([C@H]3O)C)(C)C)O[C@H]8[C@@H]([C@H]([C@H](CO8)O)O)O)C)O2)C(C)(C)O
InChI: InChI=1S/C35H54O9/c1-17-14-19-26(30(4,5)40)44-35(43-19)25(17)31(6)12-13-34-16-33(34)11-10-22(42-27-24(38)23(37)18(36)15-41-27)29(2,3)20(33)8-9-21(34)32(31,7)28(35)39/h9,17-20,22-28,36-40H,8,10-16H2,1-7H3/t17-,18+,19-,20?,22+,23+,24-,25-,26+,27+,28-,31-,32-,33-,34+,35+/m1/s1
SMILES: CC[C@@]1([C@@H]2[C@@H]([C@@H](N1)C3=CC=CO3)C(=O)N(C2=O)C4=CC=C(C=C4)C)C(=O)OC
InChI: InChI=1S/C21H22N2O5/c1-4-21(20(26)27-3)16-15(17(22-21)14-6-5-11-28-14)18(24)23(19(16)25)13-9-7-12(2)8-10-13/h5-11,15-17,22H,4H2,1-3H3/t15-,16+,17-,21+/m0/s1