EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)N=[N+]=[N-])C)N)NC(=O)OCC=C)C
InChI: InChI=1S/C29H47N5O4/c1-6-13-38-27(36)32-24-16-22-26(23(30)15-18-14-19(33-34-31)11-12-28(18,22)3)21-9-8-20(29(21,24)4)17(2)7-10-25(35)37-5/h6,17-24,26H,1,7-16,30H2,2-5H3,(H,32,36)/t17-,18+,19-,20-,21+,22+,23-,24+,26+,28+,29-/m1/s1
SMILES: CCOC(=O)N(C)[C@H]1CC(=NOCC)C2=C[C@@H]([C@H]([C@H]3[C@@H]2[C@@]1(OC4=C3C=C(C=C4)OC5=CC=C(C=C5)C6=CC=CC=C6)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C45H56N2O8/c1-5-27-52-45-41(47(4)44(50)51-6-2)30-39(46-53-7-3)37-28-33(17-11-13-25-48)36(18-12-14-26-49)42(43(37)45)38-29-35(23-24-40(38)55-45)54-34-21-19-32(20-22-34)31-15-9-8-10-16-31/h5,8-10,15-16,19-24,28-29,33,36,41-43,48-49H,1,6-7,11-14,17-18,25-27,30H2,2-4H3/t33-,36+,41-,42+,43+,45+/m0/s1
SMILES: COC1=C(C(=CC(=C1)C=O)I)O[C@H]2C=C(C[C@H]([C@@H]2O)N(C3CCCCC3)C(=O)C4CCCC4)C(=O)NCCO
InChI: InChI=1S/C29H39IN2O7/c1-38-25-14-18(17-34)13-22(30)27(25)39-24-16-20(28(36)31-11-12-33)15-23(26(24)35)32(21-9-3-2-4-10-21)29(37)19-7-5-6-8-19/h13-14,16-17,19,21,23-24,26,33,35H,2-12,15H2,1H3,(H,31,36)/t23-,24+,26+/m1/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)O)[Se]C3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C33H34O5Se/c34-33-32(39-28-19-11-4-12-20-28)31(37-23-27-17-9-3-10-18-27)30(36-22-26-15-7-2-8-16-26)29(38-33)24-35-21-25-13-5-1-6-14-25/h1-20,29-34H,21-24H2/t29-,30+,31+,32-,33+/m1/s1
SMILES: C[C@@H]1[C@H](/C(=C/C2=C(C(=C(N2)C=O)CCC(=O)OC)C)/N(C1=O)CC3=CC=C(C=C3)OC)[C@@H](C)SC(=O)C
InChI: InChI=1S/C28H34N2O6S/c1-16-22(11-12-26(33)36-6)24(15-31)29-23(16)13-25-27(18(3)37-19(4)32)17(2)28(34)30(25)14-20-7-9-21(35-5)10-8-20/h7-10,13,15,17-18,27,29H,11-12,14H2,1-6H3/b25-13-/t17-,18-,27+/m1/s1
SMILES: CC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC=C(C=C8)C=C)O
InChI: InChI=1S/C43H35NO5/c1-3-26-14-17-30(18-15-26)44-41(48)32-20-19-31-34(38(32)42(44)49)23-35-40(47)33(27-10-6-4-7-11-27)24-37(46)43(35,29-12-8-5-9-13-29)39(31)28-16-21-36(45)25(2)22-28/h3-19,21-22,24,32,34-35,38-39,45H,1,20,23H2,2H3/t32-,34+,35-,38-,39-,43-/m0/s1
SMILES: CCOP(=C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])N2[C@@H]([C@H](C2=O)[C@@H](C)O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)S[C@@H]3CC(=O)NC3)(OCC)OCC
InChI: InChI=1S/C33H52N3O11PSSi/c1-11-44-48(45-12-2,46-13-3)30(31(39)43-20-23-14-16-24(17-15-23)36(41)42)35-28(21(4)32(40)49-25-18-26(37)34-19-25)27(29(35)38)22(5)47-50(9,10)33(6,7)8/h14-17,21-22,25,27-28H,11-13,18-20H2,1-10H3,(H,34,37)/t21-,22-,25-,27-,28-/m1/s1
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)OC5=CC=C(C=C5)C(=O)O)C
InChI: InChI=1S/C22H28O7/c1-12-4-9-17-13(2)19(25-15-7-5-14(6-8-15)18(23)24)26-20-22(17)16(12)10-11-21(3,27-20)28-29-22/h5-8,12-13,16-17,19-20H,4,9-11H2,1-3H3,(H,23,24)/t12-,13-,16+,17+,19+,20-,21-,22-/m1/s1
SMILES: C[C@@H](C(=O)OCC(=O)NC1=C(C=CC(=C1)Cl)C#N)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C20H18ClN3O5/c1-11(24-18(26)14-4-2-3-5-15(14)19(24)27)20(28)29-10-17(25)23-16-8-13(21)7-6-12(16)9-22/h2-3,6-8,11,14-15H,4-5,10H2,1H3,(H,23,25)/t11-,14-,15+/m0/s1
SMILES: C[C@]12CC[C@@](C[C@@H]1CCC3C2CC[C@]4(C3CC[C@@H]4C(=O)CN5C=CN=C5)C)(CCSC)O
InChI: InChI=1S/C27H42N2O2S/c1-25-10-11-27(31,12-15-32-3)16-19(25)4-5-20-21-6-7-23(26(21,2)9-8-22(20)25)24(30)17-29-14-13-28-18-29/h13-14,18-23,31H,4-12,15-17H2,1-3H3/t19-,20?,21?,22?,23+,25-,26-,27-/m0/s1
SMILES: CC(C(=O)N1[C@@H]2C[C@H]3CC[C@@]2(C3(C)C)CS1(=O)=O)O
InChI: InChI=1S/C13H21NO4S/c1-8(15)11(16)14-10-6-9-4-5-13(10,12(9,2)3)7-19(14,17)18/h8-10,15H,4-7H2,1-3H3/t8?,9-,10-,13-/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CC(=O)NC3=CC=C(C=C3)N4CCOCC4
InChI: InChI=1S/C20H25N3O4/c24-18(13-23-19(25)16-3-1-2-4-17(16)20(23)26)21-14-5-7-15(8-6-14)22-9-11-27-12-10-22/h5-8,16-17H,1-4,9-13H2,(H,21,24)/t16-,17-/m0/s1
SMILES: C[C@@H]1CC2=C([C@H](C(=C(N2)C)C(=O)OC3CCCC3)C4=CC=C(C=C4)OC)C(=O)[C@H]1C(=O)OC
InChI: InChI=1S/C26H31NO6/c1-14-13-19-23(24(28)20(14)25(29)32-4)22(16-9-11-17(31-3)12-10-16)21(15(2)27-19)26(30)33-18-7-5-6-8-18/h9-12,14,18,20,22,27H,5-8,13H2,1-4H3/t14-,20+,22+/m1/s1
SMILES: CC(=O)[C@H]1CCC2[C@@]1(C[C@H](C3C2CCC4=CC(=O)CC[C@]34C)OC(=O)CCC(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)OC)C
InChI: InChI=1S/C35H45NO8/c1-20(37)26-11-12-27-25-10-7-22-18-24(39)15-16-34(22,2)32(25)29(19-35(26,27)3)44-31(41)14-13-30(40)36-28(33(42)43-4)17-21-5-8-23(38)9-6-21/h5-6,8-9,18,25-29,32,38H,7,10-17,19H2,1-4H3,(H,36,40)/t25?,26-,27?,28+,29-,32?,34+,35-/m1/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3[C@H](CC4=O)CO)C
InChI: InChI=1S/C20H28O3/c1-19-7-5-14(22)10-13(19)3-4-15-16(19)6-8-20(2)17(23)9-12(11-21)18(15)20/h10,12,15-16,18,21H,3-9,11H2,1-2H3/t12-,15-,16+,18+,19+,20-/m1/s1
SMILES: CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CN3CCC[C@@H]4[C@@H]3CCCC4
InChI: InChI=1S/C22H30N4O/c1-16-22(17(2)26(24-16)19-11-4-3-5-12-19)23-21(27)15-25-14-8-10-18-9-6-7-13-20(18)25/h3-5,11-12,18,20H,6-10,13-15H2,1-2H3,(H,23,27)/t18-,20+/m1/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@H](C[C@H]([C@H]1C/C=C\CCCC(=O)O)O)O)O
InChI: InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,18+,19-/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)OC(F)F
InChI: InChI=1S/C20H24F2N2O5/c1-13-4-2-3-5-16(13)23-20(27)24-17(25)12-28-18(26)11-8-14-6-9-15(10-7-14)29-19(21)22/h6-11,13,16,19H,2-5,12H2,1H3,(H2,23,24,25,27)/b11-8+/t13-,16+/m1/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(=CC=C5)C=CCC6=CC=CC=C6O)C(=O)NCCC(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)CCCCC
InChI: InChI=1S/C48H67N3O11/c1-6-8-12-25-47(26-13-9-7-2)60-40-37-29-48(45(57)49-27-24-38(54)50-35(31-52)22-23-39(55)59-46(3,4)5)42(44(56)58-37)51(62-43(48)41(40)61-47)30-33-18-14-16-32(28-33)17-15-20-34-19-10-11-21-36(34)53/h10-11,14-19,21,28,35,37,40-43,52-53H,6-9,12-13,20,22-27,29-31H2,1-5H3,(H,49,57)(H,50,54)/t35-,37+,40-,41-,42-,43+,48-/m0/s1
SMILES: C1=CC2[C@@H]3[C@@H](C1[C@@H]4[C@@H]2C(=O)N(C4=O)CCCC(=O)O)C(=O)N(C3=O)CCCC(=O)O
InChI: InChI=1S/C20H22N2O8/c23-11(24)3-1-7-21-17(27)13-9-5-6-10(14(13)18(21)28)16-15(9)19(29)22(20(16)30)8-2-4-12(25)26/h5-6,9-10,13-16H,1-4,7-8H2,(H,23,24)(H,25,26)/t9?,10?,13-,14-,15-,16-/m1/s1
SMILES: CC(C)(C)OC(=O)C[C@H]1[C@@]2(C(=O)C3=CC=CC=C3C(=O)[C@@]2(CO1)O)O
InChI: InChI=1S/C18H20O7/c1-16(2,3)25-13(19)8-12-18(23)15(21)11-7-5-4-6-10(11)14(20)17(18,22)9-24-12/h4-7,12,22-23H,8-9H2,1-3H3/t12-,17+,18-/m0/s1
SMILES: CC1=C2C(=C(C=C1)C(=O)O)[C@@H]3C=CC[C@@H]3[C@H](N2)C4=CC=CC=C4F
InChI: InChI=1S/C20H18FNO2/c1-11-9-10-15(20(23)24)17-12-6-4-7-13(12)19(22-18(11)17)14-5-2-3-8-16(14)21/h2-6,8-10,12-13,19,22H,7H2,1H3,(H,23,24)/t12-,13+,19+/m1/s1
SMILES: CC(=CCC[C@@]1([C@@H]2CC(CO[C@H]2C3=CC=CC=C3O1)(C)C)C)C
InChI: InChI=1S/C21H30O2/c1-15(2)9-8-12-21(5)17-13-20(3,4)14-22-19(17)16-10-6-7-11-18(16)23-21/h6-7,9-11,17,19H,8,12-14H2,1-5H3/t17-,19+,21-/m1/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C1)OC[S+](C2(C)C)CC3=CC4=CC=CC=C4C=C3
InChI: InChI=1S/C22H29OS/c1-16-8-11-20-21(12-16)23-15-24(22(20,2)3)14-17-9-10-18-6-4-5-7-19(18)13-17/h4-7,9-10,13,16,20-21H,8,11-12,14-15H2,1-3H3/q+1/t16-,20-,21-,24?/m1/s1
SMILES: CCN1C2=CC=CC=C2[C@]3(C1=O)[C@H]4[C@@H]([C@H]5N3CCC5)C(=O)N(C4=O)C6=CC(=CC(=C6)C)C
InChI: InChI=1S/C26H27N3O3/c1-4-27-19-9-6-5-8-18(19)26(25(27)32)22-21(20-10-7-11-28(20)26)23(30)29(24(22)31)17-13-15(2)12-16(3)14-17/h5-6,8-9,12-14,20-22H,4,7,10-11H2,1-3H3/t20-,21+,22-,26+/m0/s1
SMILES: C/C=C(/C)\C(=O)O[C@@H]1/C=C(/CC[C@@H]2[C@](O2)(C[C@@H]3[C@@H]1[C@@](C(=O)O3)(C)OC(=O)/C(=C\C)/C)C)\C
InChI: InChI=1S/C25H34O7/c1-8-15(4)21(26)29-17-12-14(3)10-11-19-24(6,31-19)13-18-20(17)25(7,23(28)30-18)32-22(27)16(5)9-2/h8-9,12,17-20H,10-11,13H2,1-7H3/b14-12+,15-8-,16-9-/t17-,18-,19-,20-,24-,25-/m1/s1
SMILES: CCC1(CCC1)C(C/C=C/[C@H]2[C@@H](CC(=O)[C@@H]2CSC3=CC=C(C=C3)C(=O)O)O)O
InChI: InChI=1S/C23H30O5S/c1-2-23(11-4-12-23)21(26)6-3-5-17-18(20(25)13-19(17)24)14-29-16-9-7-15(8-10-16)22(27)28/h3,5,7-10,17-19,21,24,26H,2,4,6,11-14H2,1H3,(H,27,28)/b5-3+/t17-,18-,19-,21?/m1/s1
SMILES: CC1=CC=C(C=C1)SC2=C(OC([C@H]3[C@@H]2CC(CC3)(C)C)(C)C)C
InChI: InChI=1S/C21H30OS/c1-14-7-9-16(10-8-14)23-19-15(2)22-21(5,6)18-11-12-20(3,4)13-17(18)19/h7-10,17-18H,11-13H2,1-6H3/t17-,18+/m0/s1
SMILES: C[C@@H]1C[NH+]2C[C@@]([C@@H]1O)(C[NH2+][C@@H]2C3=CC(=C(C=C3)OC)OC)C
InChI: InChI=1S/C17H26N2O3/c1-11-8-19-10-17(2,15(11)20)9-18-16(19)12-5-6-13(21-3)14(7-12)22-4/h5-7,11,15-16,18,20H,8-10H2,1-4H3/p+2/t11-,15-,16+,17+/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@]3([C@@]2(C(=O)[C@@](C(=C3F)F)(F)Cl)F)F
InChI: InChI=1S/C13H6ClF5O/c14-13(19)9(16)8(15)11(17)7(12(11,18)10(13)20)6-4-2-1-3-5-6/h1-5,7H/t7-,11+,12-,13-/m1/s1
SMILES: COC1=C(C=C(C=C1)Cl)NC(=O)C[NH+]2CC[C@H]([C@H](C2)O)C3=CC(=CC=C3)OC
InChI: InChI=1S/C21H25ClN2O4/c1-27-16-5-3-4-14(10-16)17-8-9-24(12-19(17)25)13-21(26)23-18-11-15(22)6-7-20(18)28-2/h3-7,10-11,17,19,25H,8-9,12-13H2,1-2H3,(H,23,26)/p+1/t17-,19-/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.Cl
InChI: InChI=1S/C22H26N2O4S.ClH/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3;/h5-12,20-21H,13-14H2,1-4H3;1H/t20-,21-;/m0./s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)C2=C(C3=C(O2)C=CC(=C3)Br)C
InChI: InChI=1S/C17H20BrNO2/c1-10-5-3-4-6-14(10)19-17(20)16-11(2)13-9-12(18)7-8-15(13)21-16/h7-10,14H,3-6H2,1-2H3,(H,19,20)/t10-,14-/m0/s1
SMILES: C1C=C[C@H]2[C@@H]1/C(=N\NC(=O)CN3C(=O)COC4=CC=CC=C43)/C2
InChI: InChI=1S/C17H17N3O3/c21-16(19-18-13-8-11-4-3-5-12(11)13)9-20-14-6-1-2-7-15(14)23-10-17(20)22/h1-4,6-7,11-12H,5,8-10H2,(H,19,21)/b18-13-/t11-,12-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-]
InChI: InChI=1S/C16H21ClN2O4/c1-10-4-3-5-13(11(10)2)18-16(20)9-23-15-7-6-12(17)8-14(15)19(21)22/h6-8,10-11,13H,3-5,9H2,1-2H3,(H,18,20)/t10-,11+,13+/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)OC3=C4C(=C(C=C3)Cl)C=CC=N4
InChI: InChI=1S/C20H19ClN2O4/c21-15-7-8-16(18-14(15)6-3-10-22-18)27-17(24)9-11-23-19(25)12-4-1-2-5-13(12)20(23)26/h3,6-8,10,12-13H,1-2,4-5,9,11H2/t12-,13+
SMILES: C[C@H]1C=C[C@H](O[C@@H]1/C=C/[Si](C)(C)C2=CC=CC=C2)C(=O)OC
InChI: InChI=1S/C18H24O3Si/c1-14-10-11-17(18(19)20-2)21-16(14)12-13-22(3,4)15-8-6-5-7-9-15/h5-14,16-17H,1-4H3/b13-12+/t14-,16+,17-/m0/s1
SMILES: C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](CC4[C@@]3(CC[C@@H](C4)O)C)O)O)C
InChI: InChI=1S/C25H42O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-21,23,26-28H,5-13H2,1-4H3/t14-,15?,16+,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1
SMILES: COC1=CC(=CC(=C1OC)OC)[C@@H]2[C@@H](C(=CC3=CC(=C(C(=C23)OC)OC)OC)C=O)CO
InChI: InChI=1S/C24H28O8/c1-27-17-9-14(10-18(28-2)22(17)30-4)20-16(12-26)15(11-25)7-13-8-19(29-3)23(31-5)24(32-6)21(13)20/h7-11,16,20,26H,12H2,1-6H3/t16-,20-/m1/s1
SMILES: CCSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1C3=C(C=C(C=C3)OC)OC
InChI: InChI=1S/C15H20N2O4S2/c1-4-22-15-16-11-8-23(18,19)9-13(11)17(15)12-6-5-10(20-2)7-14(12)21-3/h5-7,11,13H,4,8-9H2,1-3H3/t11-,13+/m1/s1
SMILES: C1CC[C@@H]([C@H](C1)C(=O)NNC(=O)CCC(=O)NC2=C(C=C(C=C2)Cl)Cl)C(=O)O
InChI: InChI=1S/C18H21Cl2N3O5/c19-10-5-6-14(13(20)9-10)21-15(24)7-8-16(25)22-23-17(26)11-3-1-2-4-12(11)18(27)28/h5-6,9,11-12H,1-4,7-8H2,(H,21,24)(H,22,25)(H,23,26)(H,27,28)/t11-,12-/m0/s1
SMILES: CC(C)C1=C(C(=C2C(=C1)[C@@H](C[C@@H]3[C@@]2(CCCC3(C)C)C)OC)O)OC
InChI: InChI=1S/C22H34O3/c1-13(2)14-11-15-16(24-6)12-17-21(3,4)9-8-10-22(17,5)18(15)19(23)20(14)25-7/h11,13,16-17,23H,8-10,12H2,1-7H3/t16-,17+,22+/m1/s1
SMILES: C[C@H](CCCC(C)C)[C@@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CC[C@@H]4[C@@]3(CC[C@@](C4)(CC(C)(C)C)O)C)C
InChI: InChI=1S/C32H58O/c1-22(2)10-9-11-23(3)26-14-15-27-25-13-12-24-20-32(33,21-29(4,5)6)19-18-30(24,7)28(25)16-17-31(26,27)8/h22-28,33H,9-21H2,1-8H3/t23-,24+,25-,26+,27+,28-,30+,31-,32-/m1/s1
SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CC3=CC=CC=C3)N)O
InChI: InChI=1S/C24H39N3O2/c1-24(2,3)26-23(29)21-14-18-11-7-8-12-19(18)15-27(21)16-22(28)20(25)13-17-9-5-4-6-10-17/h4-6,9-10,18-22,28H,7-8,11-16,25H2,1-3H3,(H,26,29)/t18-,19-,20+,21+,22-/m1/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)NC3(CCCCC3)C#N
InChI: InChI=1S/C18H26N4O3/c1-13-7-3-6-10-18(13)15(24)22(16(25)21-18)11-14(23)20-17(12-19)8-4-2-5-9-17/h13H,2-11H2,1H3,(H,20,23)(H,21,25)/t13-,18-/m0/s1
SMILES: CC1=C2[C@H]3C=C(CC[C@@H]4[C@](O4)(CC2OC1=O)C)C(=O)O3
InChI: InChI=1S/C15H16O5/c1-7-12-9-5-8(14(17)18-9)3-4-11-15(2,20-11)6-10(12)19-13(7)16/h5,9-11H,3-4,6H2,1-2H3/t9-,10?,11-,15-/m1/s1
SMILES: C/C=C/C(=C\1/C(COC1=O)CO)/O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O
InChI: InChI=1S/C15H22O8/c1-3-4-9(10-8(5-16)6-21-14(10)20)23-15-13(19)12(18)11(17)7(2)22-15/h3-4,7-8,11-13,15-19H,5-6H2,1-2H3/b4-3+,10-9+/t7-,8?,11-,12+,13+,15-/m0/s1
SMILES: C[C@H]([C@@H](C(=O)OCC=C)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)O[C@@H]4[C@@H]([C@@H]5[C@H]([C@H](O4)CO[Si](C)(C)C(C)(C)C6=CC=C(C=C6)NC(=O)CCC(=O)O)OC(O5)(C)C)NC(=O)C
InChI: InChI=1S/C48H61N3O13Si/c1-10-25-58-44(56)40(51-46(57)59-26-36-34-17-13-11-15-32(34)33-16-12-14-18-35(33)36)28(2)61-45-41(49-29(3)52)43-42(63-48(6,7)64-43)37(62-45)27-60-65(8,9)47(4,5)30-19-21-31(22-20-30)50-38(53)23-24-39(54)55/h10-22,28,36-37,40-43,45H,1,23-27H2,2-9H3,(H,49,52)(H,50,53)(H,51,57)(H,54,55)/t28-,37-,40+,41-,42+,43-,45+/m1/s1
SMILES: C[C@@H](C(=O)OCC(=O)C1=CC=CC=C1)N2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C19H21NO5/c1-12(19(24)25-11-16(21)13-7-3-2-4-8-13)20-17(22)14-9-5-6-10-15(14)18(20)23/h2-4,7-8,12,14-15H,5-6,9-11H2,1H3/t12-,14-,15-/m0/s1
SMILES: CCCCOC(=O)COCC[C@H]1CCCC[C@H]1/C=C/C=C/[C@H](C2CCCCC2)O
InChI: InChI=1S/C25H42O4/c1-2-3-18-29-25(27)20-28-19-17-22-13-8-7-11-21(22)12-9-10-16-24(26)23-14-5-4-6-15-23/h9-10,12,16,21-24,26H,2-8,11,13-15,17-20H2,1H3/b12-9+,16-10+/t21-,22+,24+/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@]2(COC(=O)[C@]34[C@H]2[C@@H](C[C@H](C3)C(=C)C4=O)O)[C@H]5[C@@]1(CO[C@@H]5OC)C
InChI: InChI=1S/C23H30O8/c1-11-13-7-14(25)16-22(10-30-20(27)23(16,8-13)18(11)26)6-5-15(31-12(2)24)21(3)9-29-19(28-4)17(21)22/h13-17,19,25H,1,5-10H2,2-4H3/t13-,14-,15+,16+,17-,19+,21-,22-,23+/m1/s1
SMILES: CCOC(=O)C1=C(SC2=C1C[C@H](CC2)C)NC(=O)[C@@H]3[C@H]4C[C@@H]([C@@H]3C(=O)[O-])C=C4
InChI: InChI=1S/C21H25NO5S/c1-3-27-21(26)17-13-8-10(2)4-7-14(13)28-19(17)22-18(23)15-11-5-6-12(9-11)16(15)20(24)25/h5-6,10-12,15-16H,3-4,7-9H2,1-2H3,(H,22,23)(H,24,25)/p-1/t10-,11+,12-,15+,16-/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OCC1=C[C@H]2CCCC[C@]3(C2=O)CC[C@@H]([C@H]3C1)O
InChI: InChI=1S/C21H36O3Si/c1-20(2,3)25(4,5)24-14-15-12-16-8-6-7-10-21(19(16)23)11-9-18(22)17(21)13-15/h12,16-18,22H,6-11,13-14H2,1-5H3/t16-,17-,18+,21+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#CCOC4CCCCO4)O)CCC5=C3C=CC(=C5)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C32H48O4Si/c1-30(2,3)37(5,6)36-24-12-14-25-23(22-24)11-13-27-26(25)15-18-31(4)28(27)16-19-32(31,33)17-9-21-35-29-10-7-8-20-34-29/h12,14,22,26-29,33H,7-8,10-11,13,15-16,18-21H2,1-6H3/t26-,27-,28+,29?,31+,32+/m1/s1
SMILES: CN1C2=CC=CC=C2[C@]3(C1=O)CC[NH2+][C@H]3C4=CC=CC=C4
InChI: InChI=1S/C18H18N2O/c1-20-15-10-6-5-9-14(15)18(17(20)21)11-12-19-16(18)13-7-3-2-4-8-13/h2-10,16,19H,11-12H2,1H3/p+1/t16-,18+/m0/s1
SMILES: C1[C@H]2[C@@H](CS1(=O)=O)SC(=N)N2CC(=O)C3=CC=CC=C3
InChI: InChI=1S/C13H14N2O3S2/c14-13-15(6-11(16)9-4-2-1-3-5-9)10-7-20(17,18)8-12(10)19-13/h1-5,10,12,14H,6-8H2/t10-,12+/m0/s1
SMILES: C[C@@H]1C[C@]23CC[C@@H]4[C@@]([C@H]2CC[C@H]1C3)(CCCC4(C)C)C
InChI: InChI=1S/C20H34/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h14-17H,5-13H2,1-4H3/t14-,15+,16+,17-,19+,20+/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@](C)(CC2=CC(=C(C=C2)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)NC(=O)C3=CC=CC=C3)C(C)(C)C4=CC=CC=C4
InChI: InChI=1S/C45H67NO5Si2/c1-32-25-27-36(44(8,9)35-23-19-16-20-24-35)38(29-32)49-41(48)45(10,46-40(47)34-21-17-15-18-22-34)31-33-26-28-37(50-52(11,12)42(2,3)4)39(30-33)51-53(13,14)43(5,6)7/h15-24,26,28,30,32,36,38H,25,27,29,31H2,1-14H3,(H,46,47)/t32-,36-,38-,45+/m1/s1
SMILES: CCCOC[C@@H]1C[C@@]2(CCC[C@@H]2O1)COP(=O)([O-])OCC[N+]3=CC=CC=C3
InChI: InChI=1S/C19H30NO6P/c1-2-12-23-15-17-14-19(8-6-7-18(19)26-17)16-25-27(21,22)24-13-11-20-9-4-3-5-10-20/h3-5,9-10,17-18H,2,6-8,11-16H2,1H3/t17-,18-,19-/m0/s1
SMILES: CCCCC(=O)OCC([C@]1(C[C@@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)O[C@@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)NC(=O)C(F)(F)F)O)O
InChI: InChI=1S/C34H38F3NO13/c1-4-5-9-21(40)49-13-20(39)33(47)11-16-24(19(12-33)51-22-10-17(27(41)14(2)50-22)38-32(46)34(35,36)37)31(45)26-25(29(16)43)28(42)15-7-6-8-18(48-3)23(15)30(26)44/h6-8,14,17,19-20,22,27,39,41,43,45,47H,4-5,9-13H2,1-3H3,(H,38,46)/t14-,17-,19-,20?,22+,27+,33-/m0/s1
SMILES: CCOC(=O)CNC(=O)[C@@H]1[C@@H]([C@@H](C([C@H](O1)OCC2=CC=CC=C2)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)O)O
InChI: InChI=1S/C28H43N3O10/c1-7-38-19(32)14-29-25(36)23-22(34)21(33)20(26(40-23)39-15-17-11-9-8-10-12-17)31-24(35)18(13-16(2)3)30-27(37)41-28(4,5)6/h8-12,16,18,20-23,26,33-34H,7,13-15H2,1-6H3,(H,29,36)(H,30,37)(H,31,35)/t18-,20?,21+,22+,23-,26-/m0/s1
SMILES: CC(C)C(C)(C)[Si](C)(C)OC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@@H]3[C@H]([C@H](O2)CO)OC(O3)(C)C)O)O)O
InChI: InChI=1S/C23H44O11Si/c1-11(2)22(3,4)35(7,8)34-21-15(27)14(26)17(12(9-24)30-21)31-20-16(28)19-18(13(10-25)29-20)32-23(5,6)33-19/h11-21,24-28H,9-10H2,1-8H3/t12-,13-,14-,15-,16-,17-,18+,19-,20+,21?/m1/s1
SMILES: C[C@@]12C3=CC=CC=C3N4[C@]1(CCC4)N(C(O2)C5=CC=CC=C5)S(=O)(=O)C6=CC=CC=C6
InChI: InChI=1S/C25H24N2O3S/c1-24-21-15-8-9-16-22(21)26-18-10-17-25(24,26)27(23(30-24)19-11-4-2-5-12-19)31(28,29)20-13-6-3-7-14-20/h2-9,11-16,23H,10,17-18H2,1H3/t23?,24-,25-/m1/s1
SMILES: CC[C@@]1([C@@H]2[C@@H]([C@@H](N1)C3=CC=CO3)C(=O)N(C2=O)C)C(=O)OCC
InChI: InChI=1S/C16H20N2O5/c1-4-16(15(21)22-5-2)11-10(13(19)18(3)14(11)20)12(17-16)9-7-6-8-23-9/h6-8,10-12,17H,4-5H2,1-3H3/t10-,11+,12-,16+/m0/s1
SMILES: C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=O)N2N[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C20H20BrN3O6/c21-11-6-7-13-12(8-11)20(29)24(18(22-13)10-4-2-1-3-5-10)23-19-17(28)16(27)15(26)14(9-25)30-19/h1-8,14-17,19,23,25-28H,9H2/t14-,15-,16+,17-,19-/m1/s1
SMILES: C[C@@H]1CC[C@]2([C@@H]([C@@H](CCC2[C@@]13C[C@H](O[C@@H]3OC)C4=COC=C4)OC(=O)C)C(=O)OC)C(=O)OC
InChI: InChI=1S/C25H34O9/c1-14-8-10-24(22(28)30-4)19(7-6-17(33-15(2)26)20(24)21(27)29-3)25(14)12-18(34-23(25)31-5)16-9-11-32-13-16/h9,11,13-14,17-20,23H,6-8,10,12H2,1-5H3/t14-,17-,18+,19?,20+,23+,24+,25-/m1/s1
SMILES: CC[C@@H]1[C@@]2(/C(=C(\C(=O)[C@@H](C[C@@]([C@@H]([C@@H](C(=O)[C@](C(=O)O1)(C)F)C)O[C@H]3[C@H]([C@H](C[C@H](O3)C)NCC=C)O)(C)OC)C)/C)/N(C(=O)O2)CCN(CC4=CN=CC=C4)CC5=CN=CC=C5)C
InChI: InChI=1S/C46H64FN5O10/c1-11-17-50-34-22-29(4)59-41(37(34)54)61-40-31(6)39(55)45(8,47)42(56)60-35(12-2)46(9)38(30(5)36(53)28(3)23-44(40,7)58-10)52(43(57)62-46)21-20-51(26-32-15-13-18-48-24-32)27-33-16-14-19-49-25-33/h11,13-16,18-19,24-25,28-29,31,34-35,37,40-41,50,54H,1,12,17,20-23,26-27H2,2-10H3/b38-30+/t28-,29-,31-,34+,35-,37+,40-,41+,44-,45+,46-/m1/s1
SMILES: CCCC[C@@]1([C@@H](CC(O1)C(=O)OC(C)(C)C)N2[C@@H](COC2=O)C3=CC=CC=C3)OC
InChI: InChI=1S/C23H33NO6/c1-6-7-13-23(27-5)19(14-18(29-23)20(25)30-22(2,3)4)24-17(15-28-21(24)26)16-11-9-8-10-12-16/h8-12,17-19H,6-7,13-15H2,1-5H3/t17-,18?,19+,23+/m0/s1
SMILES: C1=CC=C2C(=C1)C3[C@@H]4[C@H](C2(C5=CC=CC=C35)Br)C(=O)N(C4=O)C6=C(C=CC(=C6)Cl)Cl
InChI: InChI=1S/C24H14BrCl2NO2/c25-24-15-7-3-1-5-13(15)19(14-6-2-4-8-16(14)24)20-21(24)23(30)28(22(20)29)18-11-12(26)9-10-17(18)27/h1-11,19-21H/t19?,20-,21+,24?/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=CC(=C(C=C5)O)C)C(=O)N(C4=O)C6=CC=C(C=C6)Br
InChI: InChI=1S/C30H24BrNO5/c1-14-11-16(3-10-23(14)33)25-19-8-9-20-26(21(19)13-22-27(25)24(34)12-15(2)28(22)35)30(37)32(29(20)36)18-6-4-17(31)5-7-18/h3-8,10-12,20-21,25-26,33H,9,13H2,1-2H3/t20-,21+,25-,26-/m0/s1
SMILES: CCN1C(=O)[C@H]2[C@H](N(O[C@@H]2C1=O)C3=CC=CC=C3)C4=CC=C(C=C4)OC
InChI: InChI=1S/C20H20N2O4/c1-3-21-19(23)16-17(13-9-11-15(25-2)12-10-13)22(26-18(16)20(21)24)14-7-5-4-6-8-14/h4-12,16-18H,3H2,1-2H3/t16-,17+,18-/m0/s1
SMILES: CN(C)C1=CC=C(C=C1)[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC=C4)ON2C5=CC=C(C=C5)Cl
InChI: InChI=1S/C25H22ClN3O3/c1-27(2)18-12-8-16(9-13-18)22-21-23(32-29(22)20-14-10-17(26)11-15-20)25(31)28(24(21)30)19-6-4-3-5-7-19/h3-15,21-23H,1-2H3/t21-,22-,23+/m1/s1
SMILES: C[NH+](CC(=O)NC1=CC=CC=C1C(F)(F)F)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C19H22F3N3O3/c1-24(11-25-17(27)12-6-2-3-7-13(12)18(25)28)10-16(26)23-15-9-5-4-8-14(15)19(20,21)22/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H,23,26)/p+1/t12-,13-/m0/s1
SMILES: CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=NC4=C(N=C(N=C43)Cl)NC5CCCCCC5)OC(=O)C6=CC=C(C=C6)C
InChI: InChI=1S/C33H36ClN5O5/c1-20-9-13-22(14-10-20)31(40)42-18-26-25(44-32(41)23-15-11-21(2)12-16-23)17-27(43-26)39-19-35-28-29(37-33(34)38-30(28)39)36-24-7-5-3-4-6-8-24/h9-16,19,24-27H,3-8,17-18H2,1-2H3,(H,36,37,38)/t25-,26+,27+/m0/s1
SMILES: CC(=CCNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C
InChI: InChI=1S/C16H23N5O5/c1-8(2)3-4-17-14-10-15(19-6-18-14)21(7-20-10)16-13(25)12(24)11(23)9(5-22)26-16/h3,6-7,9,11-13,16,22-25H,4-5H2,1-2H3,(H,17,18,19)/t9-,11-,12+,13-,16-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)CNC(=O)C2=CC3=C(C=C2)OCO3
InChI: InChI=1S/C20H26N2O6/c1-12-5-3-4-6-15(12)22-19(24)13(2)28-18(23)10-21-20(25)14-7-8-16-17(9-14)27-11-26-16/h7-9,12-13,15H,3-6,10-11H2,1-2H3,(H,21,25)(H,22,24)/t12-,13+,15+/m0/s1
SMILES: C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C=O)O)O)O)O)O)O
InChI: InChI=1S/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h3-14,16-21H,1-2H2/t4-,5+,6+,7+,8-,9-,10+,11+,12-/m0/s1
SMILES: CC1=CC(=O)OC2=C1C=CC3=C2[C@H]([C@H](C(O3)(C)C)OC(=O)NC4=CC=CC5=CC=CC=C54)OC(=O)NC6=CC=CC7=CC=CC=C76
InChI: InChI=1S/C37H30N2O7/c1-21-20-30(40)43-32-24(21)18-19-29-31(32)33(44-35(41)38-27-16-8-12-22-10-4-6-14-25(22)27)34(37(2,3)46-29)45-36(42)39-28-17-9-13-23-11-5-7-15-26(23)28/h4-20,33-34H,1-3H3,(H,38,41)(H,39,42)/t33-,34-/m1/s1
SMILES: C[C@@H](C(=O)OCC(=O)N(C)CC1=CC=C(C=C1)N(C)C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C23H31N3O5/c1-15(26-21(28)18-7-5-6-8-19(18)22(26)29)23(30)31-14-20(27)25(4)13-16-9-11-17(12-10-16)24(2)3/h9-12,15,18-19H,5-8,13-14H2,1-4H3/t15-,18-,19-/m0/s1
SMILES: CC(C)(C)OC(=O)N1[C@H](C[C@H]2[C@@]1(C2)/C=C/C(=O)OC)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C
InChI: InChI=1S/C31H41NO5Si/c1-29(2,3)37-28(34)32-24(20-23-21-31(23,32)19-18-27(33)35-7)22-36-38(30(4,5)6,25-14-10-8-11-15-25)26-16-12-9-13-17-26/h8-19,23-24H,20-22H2,1-7H3/b19-18+/t23-,24-,31+/m1/s1
SMILES: COC(=O)C[C@H]1[C@@H](C[C@H]2[C@H](O1)CCCCO2)OC(=O)C3=CC=CC=C3
InChI: InChI=1S/C19H24O6/c1-22-18(20)12-17-16(25-19(21)13-7-3-2-4-8-13)11-15-14(24-17)9-5-6-10-23-15/h2-4,7-8,14-17H,5-6,9-12H2,1H3/t14-,15+,16-,17+/m1/s1
SMILES: CCOC(=O)[C@H]1[C@@H](CC2=C(C1=O)[C@@H](CC(=O)N2)C3=CC(=CC=C3)Cl)C4=CC=CO4
InChI: InChI=1S/C22H20ClNO5/c1-2-28-22(27)20-15(17-7-4-8-29-17)10-16-19(21(20)26)14(11-18(25)24-16)12-5-3-6-13(23)9-12/h3-9,14-15,20H,2,10-11H2,1H3,(H,24,25)/t14-,15-,20-/m0/s1
SMILES: C[C@@H]1CCN(C[C@@H]1N(C)C2=C3C=CNC3=NC=C2)C(=O)N4CCOCC4
InChI: InChI=1S/C19H27N5O2/c1-14-5-8-24(19(25)23-9-11-26-12-10-23)13-17(14)22(2)16-4-7-21-18-15(16)3-6-20-18/h3-4,6-7,14,17H,5,8-13H2,1-2H3,(H,20,21)/t14-,17+/m1/s1
SMILES: C[NH+](CC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl)CC(=O)NC2=CC=CC=C2Cl
InChI: InChI=1S/C15H19Cl2N3O4S/c1-20(6-14(21)18-12-5-3-2-4-10(12)16)7-15(22)19-13-9-25(23,24)8-11(13)17/h2-5,11,13H,6-9H2,1H3,(H,18,21)(H,19,22)/p+1/t11-,13-/m0/s1
SMILES: CC[C@@H]1[C@H](C2=NC1=CC3=C(C(=C(N3)C(=C4[C@H]([C@@H](C(=N4)C=C5C(=C(C(=C2)N5)C(=O)C)C)C)CCC(=O)NCCN)CC(=O)OC)C(=O)NCCN)C)C
InChI: InChI=1S/C39H52N8O5/c1-8-24-19(2)27-18-32-35(23(6)48)21(4)29(45-32)16-28-20(3)25(9-10-33(49)42-13-11-40)37(46-28)26(15-34(50)52-7)38-36(39(51)43-14-12-41)22(5)30(47-38)17-31(24)44-27/h16-20,24-25,45,47H,8-15,40-41H2,1-7H3,(H,42,49)(H,43,51)/t19-,20+,24-,25+/m1/s1
SMILES: C1C[C@@H]2[C@H]([C@@H]3[C@@H]1/C(=N/OC[C@H](COCC4=CC=CO4)O)/C[C@H]([C@H]3O)O)C(=O)N(C2=O)CC5=CC=CC=C5
InChI: InChI=1S/C27H32N2O8/c30-17(13-35-15-18-7-4-10-36-18)14-37-28-21-11-22(31)25(32)23-19(21)8-9-20-24(23)27(34)29(26(20)33)12-16-5-2-1-3-6-16/h1-7,10,17,19-20,22-25,30-32H,8-9,11-15H2/b28-21+/t17-,19-,20+,22+,23-,24+,25+/m0/s1
SMILES: CC1=C(C(=O)[C@@]2([C@H](C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=CC=C(C=C5)O)C(=O)N(C4=O)C6=CC=C(C=C6)C7=NC8=CC=CC=C8O7)C)C
InChI: InChI=1S/C38H32N2O6/c1-19-20(2)34(43)38(3)28(33(19)42)18-27-25(32(38)21-10-14-24(41)15-11-21)16-17-26-31(27)37(45)40(36(26)44)23-12-8-22(9-13-23)35-39-29-6-4-5-7-30(29)46-35/h4-16,26-28,31-32,41H,17-18H2,1-3H3/t26-,27+,28-,31-,32-,38+/m0/s1