EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(=O)S[C@@H]1CO[C@@H]([C@@H]2[C@H]1O2)OCC3=CC=CC=C3
InChI: InChI=1S/C14H16O4S/c1-9(15)19-11-8-17-14(13-12(11)18-13)16-7-10-5-3-2-4-6-10/h2-6,11-14H,7-8H2,1H3/t11-,12+,13+,14+/m1/s1
SMILES: C[C@]1([C@@](OC(=O)[C@H](O1)[C@@](COC)(C2=CC=CC=C2)O)(C)OC)OC
InChI: InChI=1S/C17H24O7/c1-15(21-4)16(2,22-5)24-14(18)13(23-15)17(19,11-20-3)12-9-7-6-8-10-12/h6-10,13,19H,11H2,1-5H3/t13-,15-,16-,17+/m0/s1
SMILES: C[C@]1([C@H](CCC2(C1[C@@H](C34[C@H]2CCC(C3)C(=C)C4)C(=O)O)C(=O)O)O)C(=O)O
InChI: InChI=1S/C20H26O7/c1-9-7-19-8-10(9)3-4-11(19)20(17(26)27)6-5-12(21)18(2,16(24)25)14(20)13(19)15(22)23/h10-14,21H,1,3-8H2,2H3,(H,22,23)(H,24,25)(H,26,27)/t10?,11-,12+,13-,14?,18-,19?,20?/m1/s1
SMILES: CC1=NN(C2=C1[C@H]([C@H](C(=O)N2)NC(=O)C3=CC=CC=C3)C4=CC=C(C=C4)OC)C
InChI: InChI=1S/C22H22N4O3/c1-13-17-18(14-9-11-16(29-3)12-10-14)19(22(28)24-20(17)26(2)25-13)23-21(27)15-7-5-4-6-8-15/h4-12,18-19H,1-3H3,(H,23,27)(H,24,28)/t18-,19-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)CCN2C3=CC=CC=C3OC2=O
InChI: InChI=1S/C19H24N2O5/c1-13-6-2-3-7-14(13)20-17(22)12-25-18(23)10-11-21-15-8-4-5-9-16(15)26-19(21)24/h4-5,8-9,13-14H,2-3,6-7,10-12H2,1H3,(H,20,22)/t13-,14-/m0/s1
SMILES: CC(=O)N1[C@@H]([C@H](N(C1=O)C(=O)C)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C19H18N2O3/c1-13(22)20-17(15-9-5-3-6-10-15)18(16-11-7-4-8-12-16)21(14(2)23)19(20)24/h3-12,17-18H,1-2H3/t17-,18-/m1/s1
SMILES: C1=CC=C(C=C1)COC[C@H]2[C@H]3[C@H](N3)[C@@H]([C@H]([C@@H]2OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C35H37NO4/c1-5-13-26(14-6-1)21-37-25-30-31-32(36-31)34(39-23-28-17-9-3-10-18-28)35(40-24-29-19-11-4-12-20-29)33(30)38-22-27-15-7-2-8-16-27/h1-20,30-36H,21-25H2/t30-,31-,32-,33+,34-,35-/m0/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@@H](OC=C[C@@H]3O[Si](C)(C)C(C)(C)C)C)C)O)O
InChI: InChI=1S/C24H44O9Si/c1-13-21(27)16(25)11-19(29-13)31-22-15(3)30-20(12-17(22)26)32-23-14(2)28-10-9-18(23)33-34(7,8)24(4,5)6/h9-10,13-23,25-27H,11-12H2,1-8H3/t13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23+/m0/s1
SMILES: C1=C(C=C(C2=C1[C@@H]3[C@H]([C@@H](SC4=C3SC(=O)N4)C(=O)O)C(=O)O2)Cl)Cl
InChI: InChI=1S/C14H7Cl2NO5S2/c15-3-1-4-6-7(13(20)22-8(4)5(16)2-3)10(12(18)19)23-11-9(6)24-14(21)17-11/h1-2,6-7,10H,(H,17,21)(H,18,19)/t6-,7-,10-/m1/s1
SMILES: COC1=CC(=C(C=C1)CN2C[C@]34C=C[C@H](O3)[C@@H]([C@@H]4C2=O)C(=O)O)OC
InChI: InChI=1S/C18H19NO6/c1-23-11-4-3-10(13(7-11)24-2)8-19-9-18-6-5-12(25-18)14(17(21)22)15(18)16(19)20/h3-7,12,14-15H,8-9H2,1-2H3,(H,21,22)/t12-,14-,15+,18-/m0/s1
SMILES: CC1(O[C@H]2CN([C@@H]([C@H]2O1)[C@@H](CC=C)O)C(C3=CC=CC=C3)C4=CC=CC=C4)C
InChI: InChI=1S/C24H29NO3/c1-4-11-19(26)22-23-20(27-24(2,3)28-23)16-25(22)21(17-12-7-5-8-13-17)18-14-9-6-10-15-18/h4-10,12-15,19-23,26H,1,11,16H2,2-3H3/t19-,20+,22-,23+/m1/s1
SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COC(=O)CCC(=O)OC5=CC(=CC=C5)O[N+](=O)[O-])O)C)O
InChI: InChI=1S/C31H37NO11/c1-29-12-10-19(33)14-18(29)6-7-22-23-11-13-31(38,30(23,2)16-24(34)28(22)29)25(35)17-41-26(36)8-9-27(37)42-20-4-3-5-21(15-20)43-32(39)40/h3-5,14-15,22-24,28,34,38H,6-13,16-17H2,1-2H3/t22-,23-,24-,28+,29-,30-,31-/m0/s1
SMILES: C[C@@H]1CC(=O)C2C(CCC2=O)C3C1C4CC[C@]([C@]4(CC3)C)(C)O
InChI: InChI=1S/C20H30O3/c1-11-10-16(22)18-12(4-5-15(18)21)13-6-8-19(2)14(17(11)13)7-9-20(19,3)23/h11-14,17-18,23H,4-10H2,1-3H3/t11-,12?,13?,14?,17?,18?,19+,20+/m1/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC4=NC=CC(=N4)C5=CC=CO5
InChI: InChI=1S/C25H28N4O5/c1-25(2,3)15-6-8-16(9-7-15)27-24(30)34-20-14-33-21-18(13-32-22(20)21)29-23-26-11-10-17(28-23)19-5-4-12-31-19/h4-12,18,20-22H,13-14H2,1-3H3,(H,27,30)(H,26,28,29)/t18-,20+,21+,22+/m0/s1
SMILES: C[C@@H](C(=O)OCC(=O)NC(=O)NC1=CC=CC=C1)N2C(=O)[C@@H]3CCCC[C@H]3C2=O
InChI: InChI=1S/C20H23N3O6/c1-12(23-17(25)14-9-5-6-10-15(14)18(23)26)19(27)29-11-16(24)22-20(28)21-13-7-3-2-4-8-13/h2-4,7-8,12,14-15H,5-6,9-11H2,1H3,(H2,21,22,24,28)/t12-,14+,15+/m0/s1
SMILES: CCCCN1C(=O)[C@@H]2[C@H]([NH2+][C@]3([C@@H]2C1=O)C4=C(C=CC(=C4)F)NC3=O)C
InChI: InChI=1S/C18H20FN3O3/c1-3-4-7-22-15(23)13-9(2)21-18(14(13)16(22)24)11-8-10(19)5-6-12(11)20-17(18)25/h5-6,8-9,13-14,21H,3-4,7H2,1-2H3,(H,20,25)/p+1/t9-,13-,14+,18+/m1/s1
SMILES: CCC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@H](C4=CC(=O)C=C[C@@]43C)O)F)O)C)C)C(=O)SCF
InChI: InChI=1S/C25H32F2O6S/c1-5-20(31)33-25(21(32)34-12-26)13(2)8-15-16-10-18(29)17-9-14(28)6-7-22(17,3)24(16,27)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,29-30H,5,8,10-12H2,1-4H3/t13-,15+,16+,18-,19+,22+,23+,24+,25+/m1/s1
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O/C=C/1\CC[C@]2(C(C1(C)C)CCC3C2=CC[C@]4([C@]3(CC[C@]5([C@@H]4[C@@H](CC5)C(C)C)C)C)C)C
InChI: InChI=1S/C59H104O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-53(60)61-46-48-38-42-57(7)50-40-43-59(9)54-49(47(2)3)39-41-56(54,6)44-45-58(59,8)51(50)36-37-52(57)55(48,4)5/h40,46-47,49,51-52,54H,10-39,41-45H2,1-9H3/b48-46+/t49-,51?,52?,54-,56-,57+,58-,59+/m0/s1
SMILES: CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)NC2CC3CCC2C3)C4=CSC=C4)CCOCCOCCO
InChI: InChI=1S/C25H37NO6S/c1-2-31-25-20(5-8-29-10-11-30-9-7-27)21(19-6-12-33-16-19)15-23(32-25)24(28)26-22-14-17-3-4-18(22)13-17/h6,12,15-18,20-22,25,27H,2-5,7-11,13-14H2,1H3,(H,26,28)/t17?,18?,20-,21-,22?,25-/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@@H](O2)[C@H](C)OC(=O)C)N3C(=O)C4=CC=CC=C4C3=O
InChI: InChI=1S/C21H21N3O7/c1-10-9-23(21(29)22-18(10)26)16-8-15(17(31-16)11(2)30-12(3)25)24-19(27)13-6-4-5-7-14(13)20(24)28/h4-7,9,11,15-17H,8H2,1-3H3,(H,22,26,29)/t11-,15-,16+,17-/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)NC56CC7CC(C5)CC(C7)C6)CN8CCC9(CC8)OCCO9
InChI: InChI=1S/C44H55N3O6/c1-29-39(27-47-16-14-44(15-17-47)50-18-19-51-44)52-41(53-40(29)35-8-6-30(28-48)7-9-35)36-12-10-34(11-13-36)38-5-3-2-4-37(38)26-45-42(49)46-43-23-31-20-32(24-43)22-33(21-31)25-43/h2-13,29,31-33,39-41,48H,14-28H2,1H3,(H2,45,46,49)/t29-,31?,32?,33?,39+,40+,41+,43?/m0/s1
SMILES: CC1=CC2=C(C3=C1OC[C@H]([C@@H]3O)C(=C)C)C(=O)C4=C(C=CC(=C4O2)CC=C(C)C)O
InChI: InChI=1S/C25H26O5/c1-12(2)6-7-15-8-9-17(26)19-23(28)20-18(30-25(15)19)10-14(5)24-21(20)22(27)16(11-29-24)13(3)4/h6,8-10,16,22,26-27H,3,7,11H2,1-2,4-5H3/t16-,22-/m0/s1
SMILES: C[C@@H]1CO[C@@]2(O1)[C@@]3([C@@H]([C@@]3(C(=N2)N)C#N)C4=CC5=C(C=C4)OCO5)C#N
InChI: InChI=1S/C17H14N4O4/c1-9-5-24-17(25-9)16(7-19)13(15(16,6-18)14(20)21-17)10-2-3-11-12(4-10)23-8-22-11/h2-4,9,13H,5,8H2,1H3,(H2,20,21)/t9-,13-,15-,16-,17-/m1/s1
SMILES: C[C@H]1[C@H]2CC3=C([C@@]1(CC[NH+]2CCCCC#N)C)C=C(C=C3)O.[Cl-]
InChI: InChI=1S/C19H26N2O.ClH/c1-14-18-12-15-6-7-16(22)13-17(15)19(14,2)8-11-21(18)10-5-3-4-9-20;/h6-7,13-14,18,22H,3-5,8,10-12H2,1-2H3;1H/t14-,18+,19+;/m0./s1
SMILES: COC1=CC(=CC(=C1)N2CC(=O)N[C@H]3[C@@H]2CS(=O)(=O)C3)OC
InChI: InChI=1S/C14H18N2O5S/c1-20-10-3-9(4-11(5-10)21-2)16-6-14(17)15-12-7-22(18,19)8-13(12)16/h3-5,12-13H,6-8H2,1-2H3,(H,15,17)/t12-,13+/m1/s1
SMILES: CC(=C)C[C@@H]1[C@@]23C=C[C@@H](O2)[C@@H]([C@@H]3C(=O)N1CCC4=CC(=C(C=C4)OC)OC)C(=O)O
InChI: InChI=1S/C23H27NO6/c1-13(2)11-18-23-9-7-16(30-23)19(22(26)27)20(23)21(25)24(18)10-8-14-5-6-15(28-3)17(12-14)29-4/h5-7,9,12,16,18-20H,1,8,10-11H2,2-4H3,(H,26,27)/t16-,18-,19+,20-,23-/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)CC(CC(=O)O[C@@H]2C[C@@H](CC[C@H]2C(C)C)C)(C(=O)O[C@@H]3C[C@@H](CC[C@H]3C(C)C)C)O)C(C)C
InChI: InChI=1S/C36H62O7/c1-21(2)27-13-10-24(7)16-30(27)41-33(37)19-36(40,35(39)43-32-18-26(9)12-15-29(32)23(5)6)20-34(38)42-31-17-25(8)11-14-28(31)22(3)4/h21-32,40H,10-20H2,1-9H3/t24-,25-,26-,27+,28+,29+,30-,31-,32-/m1/s1
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O.CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O
InChI: InChI=1S/C18H21NO4.C17H19NO3/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10;1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h3-4,13,16,21H,5-9H2,1-2H3;2-5,10-11,13,16,19-20H,6-8H2,1H3/t13-,16+,17+,18-;10-,11+,13-,16-,17-/m10/s1
SMILES: CCOC(=O)CC[C@H](C)[C@H]1C[C@H]1CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C
InChI: InChI=1S/C27H38O3Si/c1-6-29-26(28)18-17-21(2)25-19-22(25)20-30-31(27(3,4)5,23-13-9-7-10-14-23)24-15-11-8-12-16-24/h7-16,21-22,25H,6,17-20H2,1-5H3/t21-,22-,25+/m0/s1
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)N)O[C@H]3[C@H](C=C4)O
InChI: InChI=1S/C17H20N2O2/c1-19-7-6-17-10-3-5-13(20)16(17)21-15-11(18)4-2-9(14(15)17)8-12(10)19/h2-5,10,12-13,16,20H,6-8,18H2,1H3/t10-,12+,13-,16-,17-/m0/s1
SMILES: CC1=C([C@]2(CCCC([C@@H]2CC1)(C)C)C)CC3=CC(=C(C=C3OC(=O)C)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C37H44O4/c1-26-17-18-35-36(3,4)19-12-20-37(35,5)31(26)21-30-22-33(39-24-28-13-8-6-9-14-28)34(23-32(30)41-27(2)38)40-25-29-15-10-7-11-16-29/h6-11,13-16,22-23,35H,12,17-21,24-25H2,1-5H3/t35-,37+/m0/s1
SMILES: CC1=C(C[C@@H]2[C@@H](C1)CO[C@H](C2=O)OCC3=CC=CC=C3)C
InChI: InChI=1S/C18H22O3/c1-12-8-15-11-21-18(17(19)16(15)9-13(12)2)20-10-14-6-4-3-5-7-14/h3-7,15-16,18H,8-11H2,1-2H3/t15-,16+,18+/m0/s1
SMILES: CC1=CC=C(C=C1)N2[C@@H]3CS(=O)(=O)C[C@H]3SC2=NC(=O)COCC(=O)O
InChI: InChI=1S/C16H18N2O6S2/c1-10-2-4-11(5-3-10)18-12-8-26(22,23)9-13(12)25-16(18)17-14(19)6-24-7-15(20)21/h2-5,12-13H,6-9H2,1H3,(H,20,21)/t12-,13-/m1/s1
SMILES: C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C1(CCC2[C@](C)([C@@H](CC(C(C)(C)O)O)O)O)O
InChI: InChI=1S/C27H44O8/c1-23(2,33)21(31)12-22(32)26(5,34)20-7-9-27(35)15-10-17(28)16-11-18(29)19(30)13-24(16,3)14(15)6-8-25(20,27)4/h10,14,16,18-22,29-35H,6-9,11-13H2,1-5H3/t14-,16-,18+,19-,20?,21?,22+,24+,25+,26+,27?/m0/s1
SMILES: CC[C@@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H]([C@@H]4OC(=O)C)OC(=O)C)C)C)C(C)C
InChI: InChI=1S/C33H54O4/c1-9-24(20(2)3)11-10-21(4)26-14-15-27-25-12-13-29-31(37-23(6)35)30(36-22(5)34)17-19-33(29,8)28(25)16-18-32(26,27)7/h13,20-21,24-28,30-31H,9-12,14-19H2,1-8H3/t21-,24+,25+,26-,27+,28+,30+,31-,32-,33-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C(C(=O)CC[C@]34C)O
InChI: InChI=1S/C19H28O3/c1-18-10-8-15(20)17(22)14(18)4-3-11-12-5-6-16(21)19(12,2)9-7-13(11)18/h11-13,16,21-22H,3-10H2,1-2H3/t11-,12-,13-,16-,18+,19-/m0/s1
SMILES: CC1=CC(=CC(=C1O)C)[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)N(C4=O)C7=CC=C(C=C7)I
InChI: InChI=1S/C34H26Cl2FIN2O5/c1-16-13-18(14-17(2)28(16)41)27-23-11-12-24-26(30(43)39(29(24)42)21-9-5-20(38)6-10-21)25(23)15-33(35)31(44)40(32(45)34(27,33)36)22-7-3-19(37)4-8-22/h3-11,13-14,24-27,41H,12,15H2,1-2H3/t24-,25+,26-,27-,33+,34-/m0/s1
SMILES: CN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)OCC=C.Br
InChI: InChI=1S/C20H27NO.BrH/c1-3-12-22-16-8-7-15-13-19-17-6-4-5-9-20(17,18(15)14-16)10-11-21(19)2;/h3,7-8,14,17,19H,1,4-6,9-13H2,2H3;1H/t17-,19+,20+;/m0./s1
SMILES: COC(=O)C1=CC=C(C=C1)[C@@H]2[C@]3([C@@]2(C(N=C3N)(OC)OC)C#N)C#N
InChI: InChI=1S/C17H16N4O4/c1-23-13(22)11-6-4-10(5-7-11)12-15(8-18)14(20)21-17(24-2,25-3)16(12,15)9-19/h4-7,12H,1-3H3,(H2,20,21)/t12-,15-,16-/m1/s1
SMILES: COC1=C(C=C(C=C1)CC(=O)OC[C@@H]2CCC[NH+]3[C@@H]2CCCC3)Br
InChI: InChI=1S/C19H26BrNO3/c1-23-18-8-7-14(11-16(18)20)12-19(22)24-13-15-5-4-10-21-9-3-2-6-17(15)21/h7-8,11,15,17H,2-6,9-10,12-13H2,1H3/p+1/t15-,17+/m0/s1
SMILES: CC[C@H]1C[NH+]2CC[C@H]1C[C@@H]2C[NH2+]CC3=CC=C(C=C3)F
InChI: InChI=1S/C17H25FN2/c1-2-14-12-20-8-7-15(14)9-17(20)11-19-10-13-3-5-16(18)6-4-13/h3-6,14-15,17,19H,2,7-12H2,1H3/p+2/t14-,15-,17+/m0/s1
SMILES: CC(=O)OC[C@@H]1C[C@@H]([C@H]([C@H]([C@@H]1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C17H24O10/c1-8(18)23-7-13-6-14(24-9(2)19)16(26-11(4)21)17(27-12(5)22)15(13)25-10(3)20/h13-17H,6-7H2,1-5H3/t13-,14-,15+,16+,17-/m0/s1
SMILES: CCN1C(=NN=C1SCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)C4=C(C=CC(=C4)Cl)OC
InChI: InChI=1S/C20H25ClN4O2S/c1-3-25-19(15-10-14(21)6-7-17(15)27-2)23-24-20(25)28-11-18(26)22-16-9-12-4-5-13(16)8-12/h6-7,10,12-13,16H,3-5,8-9,11H2,1-2H3,(H,22,26)/t12-,13+,16+/m0/s1
SMILES: CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)N4CC[C@H]5CCCC[C@@H]5C4
InChI: InChI=1S/C25H27N3O2/c1-17-26-23-9-5-4-8-22(23)25(30)28(17)21-12-10-19(11-13-21)24(29)27-15-14-18-6-2-3-7-20(18)16-27/h4-5,8-13,18,20H,2-3,6-7,14-16H2,1H3/t18-,20-/m1/s1
SMILES: CCCCNC1=C(C=C(C=C1)C(F)(F)F)C(=O)NCC(=O)N[C@@H]2CCCC[C@@H]2NC(=O)C3=CC=C(C=C3)S(=O)(=O)N
InChI: InChI=1S/C27H34F3N5O5S/c1-2-3-14-32-21-13-10-18(27(28,29)30)15-20(21)26(38)33-16-24(36)34-22-6-4-5-7-23(22)35-25(37)17-8-11-19(12-9-17)41(31,39)40/h8-13,15,22-23,32H,2-7,14,16H2,1H3,(H,33,38)(H,34,36)(H,35,37)(H2,31,39,40)/t22-,23+/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)[C@H](C3=CC[C@H]4[C@@H]([C@@H]3C2)C(=O)N(C4=O)C5=CC=C(C=C5)NC6=CC=CC=C6)C7=CC(=C(C(=C7)I)O)OC
InChI: InChI=1S/C36H29IN2O6/c1-18-14-28(40)26-17-25-23(30(32(26)33(18)41)19-15-27(37)34(42)29(16-19)45-2)12-13-24-31(25)36(44)39(35(24)43)22-10-8-21(9-11-22)38-20-6-4-3-5-7-20/h3-12,14-16,24-25,30-31,38,42H,13,17H2,1-2H3/t24-,25+,30-,31-/m0/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@H]2[C@H](O1)COCC3=CC(=CC=C3)CO[C@H]4[C@H]5[C@@H](CO[C@H](O5)C6=CC=CC=C6)O[C@@H]([C@@H]4OCC7=CC=CC=C7)O2)OCC8=CC=CC=C8)OCC9=CC=CC=C9
InChI: InChI=1S/C49H52O11/c1-50-48-45(54-28-34-17-8-3-9-18-34)43(52-27-33-15-6-2-7-16-33)41-39(57-48)31-51-26-36-21-14-22-37(25-36)30-53-44-42-40(32-56-47(59-42)38-23-12-5-13-24-38)58-49(60-41)46(44)55-29-35-19-10-4-11-20-35/h2-25,39-49H,26-32H2,1H3/t39-,40-,41-,42-,43+,44+,45-,46-,47-,48+,49-/m1/s1
SMILES: CC1=C(NC(=C1C(=O)OC)C)C2=C(SC3=N[C@H]4CCCC[C@@H]4N23)C
InChI: InChI=1S/C18H23N3O2S/c1-9-14(17(22)23-4)10(2)19-15(9)16-11(3)24-18-20-12-7-5-6-8-13(12)21(16)18/h12-13,19H,5-8H2,1-4H3/t12-,13-/m0/s1
SMILES: CCCC(C)NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)COCCOC)OC(O2)(C)C
InChI: InChI=1S/C18H32N2O6/c1-6-7-12(2)19-17(22)15-16-13(25-18(3,4)26-16)10-20(15)14(21)11-24-9-8-23-5/h12-13,15-16H,6-11H2,1-5H3,(H,19,22)/t12?,13-,15-,16-/m0/s1
SMILES: CCOC1[C@@H]([C@H]([C@H](O1)C(COCC2=CC=C(C=C2)Cl)OCC3=CC=C(C=C3)Cl)OC(C)C)O
InChI: InChI=1S/C25H32Cl2O6/c1-4-30-25-22(28)24(32-16(2)3)23(33-25)21(31-14-18-7-11-20(27)12-8-18)15-29-13-17-5-9-19(26)10-6-17/h5-12,16,21-25,28H,4,13-15H2,1-3H3/t21?,22-,23-,24-,25?/m1/s1
SMILES: CC1=CSC(=N1)NC(=O)[C@H](C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C15H17N3O3S/c1-8-7-22-15(16-8)17-12(19)9(2)18-13(20)10-5-3-4-6-11(10)14(18)21/h3-4,7,9-11H,5-6H2,1-2H3,(H,16,17,19)/t9-,10-,11+/m0/s1
SMILES: C1OC2=C(O1)C=C(C=C2)CN3C(=O)[C@H]4[C@@H](C3=O)[C@H](N5[C@@H]4C6=CC=CC=C6C=C5)C(=O)C7=CC=CC=C7
InChI: InChI=1S/C29H22N2O5/c32-27(19-7-2-1-3-8-19)26-24-23(25-20-9-5-4-6-18(20)12-13-30(25)26)28(33)31(29(24)34)15-17-10-11-21-22(14-17)36-16-35-21/h1-14,23-26H,15-16H2/t23-,24+,25+,26-/m0/s1
SMILES: C[C@@H]1C[C@H]([C@@]2([C@@H]1[C@@H]3C[C@H]4[C@@]5(O4)C[C@@H](CC[C@@]5([C@@H]3CC2)C)OC(=O)C)C)C(=O)C
InChI: InChI=1S/C24H36O4/c1-13-10-19(14(2)25)22(4)8-7-18-17(21(13)22)11-20-24(28-20)12-16(27-15(3)26)6-9-23(18,24)5/h13,16-21H,6-12H2,1-5H3/t13-,16-,17-,18-,19+,20+,21+,22-,23-,24+/m1/s1
SMILES: CC(=O)O[C@@H]1[C@@H]2[C@](CC[C@@H](C2(C)C)O)([C@H]3CC(=C)[C@]4([C@H]([C@@]3([C@H]1OC(=O)C)C)C(=O)O[C@@]([C@@H]4O)(C)C(=O)OC)C)C
InChI: InChI=1S/C30H44O10/c1-14-13-17-27(6)12-11-18(33)26(4,5)20(27)19(38-15(2)31)22(39-16(3)32)29(17,8)21-23(34)40-30(9,25(36)37-10)24(35)28(14,21)7/h17-22,24,33,35H,1,11-13H2,2-10H3/t17-,18+,19-,20+,21-,22+,24-,27-,28+,29-,30-/m1/s1
SMILES: [C@@H]12[C@H]3C(=O)[C@H]4[C@@H](C1=O)[C@]5([C@@]2([C@@]3([C@@]4(C5(Cl)Cl)Cl)Cl)Cl)Cl
InChI: InChI=1S/C11H4Cl6O2/c12-7-1-2-6(19)4-3(5(1)18)9(7,14)11(16,17)10(4,15)8(2,7)13/h1-4H/t1-,2+,3+,4-,7-,8+,9-,10+
SMILES: C[C@H]1CCC[C@]2(C1=C[C@H]3[C@@H](C2)OC(=O)[C@@H]3C[NH+]4CCC(CC4)C(C5=CC=CC=C5)(C6=CC=CC=C6)O)C
InChI: InChI=1S/C33H41NO3/c1-23-10-9-17-32(2)21-30-27(20-29(23)32)28(31(35)37-30)22-34-18-15-26(16-19-34)33(36,24-11-5-3-6-12-24)25-13-7-4-8-14-25/h3-8,11-14,20,23,26-28,30,36H,9-10,15-19,21-22H2,1-2H3/p+1/t23-,27+,28+,30+,32+/m0/s1
SMILES: C[C@H]1[C@H](O1)[C@H](C)[C@H]([C@@H](C)COCC2=CC=C(C=C2)OC)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C23H40O4Si/c1-16(14-25-15-19-10-12-20(24-7)13-11-19)21(17(2)22-18(3)26-22)27-28(8,9)23(4,5)6/h10-13,16-18,21-22H,14-15H2,1-9H3/t16-,17+,18-,21-,22+/m0/s1
SMILES: CCCCN1C(=O)[C@@H]2[C@@H](N[C@@]3([C@@H]2C1=O)C4=C(C=CC(=C4)F)NC3=O)CC5=CC=CC=C5
InChI: InChI=1S/C24H24FN3O3/c1-2-3-11-28-21(29)19-18(12-14-7-5-4-6-8-14)27-24(20(19)22(28)30)16-13-15(25)9-10-17(16)26-23(24)31/h4-10,13,18-20,27H,2-3,11-12H2,1H3,(H,26,31)/t18-,19+,20-,24+/m0/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@H]3[C@@H]4CC[C@H]([C@H]3C2=O)C=C4)Cl
InChI: InChI=1S/C17H16ClNO2/c1-9-2-7-12(8-13(9)18)19-16(20)14-10-3-4-11(6-5-10)15(14)17(19)21/h2-4,7-8,10-11,14-15H,5-6H2,1H3/t10-,11+,14-,15+
SMILES: C[C@H]1CC[C@@H]([C@H](C1)N2N=C(N=N2)C3=CC=CC=C3)C(C)C
InChI: InChI=1S/C17H24N4/c1-12(2)15-10-9-13(3)11-16(15)21-19-17(18-20-21)14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3/t13-,15+,16-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2CC(=O)OC)CC=C4[C@@]3(CC[C@@H](C4(C)C)O)C
InChI: InChI=1S/C24H38O3/c1-22(2)19-9-7-16-17-8-6-15(14-21(26)27-5)23(17,3)12-10-18(16)24(19,4)13-11-20(22)25/h9,15-18,20,25H,6-8,10-14H2,1-5H3/t15-,16+,17+,18+,20+,23-,24-/m1/s1
SMILES: CC(C)CC(CC(=O)NO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)C(=O)N
InChI: InChI=1S/C38H66N12O11S/c1-21(2)15-22(16-30(53)50-61)35(57)46-24(10-5-7-13-39)37(59)47-25(17-28(40)51)36(58)44-18-31(54)43-19-32(55)45-23(34(41)56)9-6-8-14-42-29(52)12-4-3-11-27-33-26(20-62-27)48-38(60)49-33/h21-27,33,61H,3-20,39H2,1-2H3,(H2,40,51)(H2,41,56)(H,42,52)(H,43,54)(H,44,58)(H,45,55)(H,46,57)(H,47,59)(H,50,53)(H2,48,49,60)/t22?,23-,24-,25-,26-,27-,33-/m0/s1
SMILES: CC1=CC2=C(S1)[C@H]3CCCC[C@H]3O[C@@H]2C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C19H20O3S/c1-11-8-14-18(12-6-7-16-17(9-12)21-10-20-16)22-15-5-3-2-4-13(15)19(14)23-11/h6-9,13,15,18H,2-5,10H2,1H3/t13-,15+,18+/m0/s1
SMILES: COC1=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)CCCCCC(=O)O)Cl)O
InChI: InChI=1S/C33H26Cl3F5N2O8/c1-51-17-10-12(9-16(34)27(17)46)20-13-6-7-14-19(29(48)42(28(14)47)8-4-2-3-5-18(44)45)15(13)11-32(35)30(49)43(31(50)33(20,32)36)26-24(40)22(38)21(37)23(39)25(26)41/h6,9-10,14-15,19-20,46H,2-5,7-8,11H2,1H3,(H,44,45)/t14-,15+,19-,20-,32+,33-/m0/s1
SMILES: CCCCCCCCCCC[C@H](C[C@H]1[C@@H](CC(O1)OCC)CCCCCC)OCC2=CC=CC=C2
InChI: InChI=1S/C32H56O3/c1-4-7-9-11-12-13-14-15-20-24-30(34-27-28-21-17-16-18-22-28)26-31-29(23-19-10-8-5-2)25-32(35-31)33-6-3/h16-18,21-22,29-32H,4-15,19-20,23-27H2,1-3H3/t29-,30-,31+,32?/m1/s1
SMILES: CC[Si](CC)(CC)O[C@H]1[C@@H](O[C@H](C[C@@]1(C)O)OC)C
InChI: InChI=1S/C14H30O4Si/c1-7-19(8-2,9-3)18-13-11(4)17-12(16-6)10-14(13,5)15/h11-13,15H,7-10H2,1-6H3/t11-,12+,13-,14+/m0/s1
SMILES: CC(=O)[C@@]12[C@](O[C@@]([C@@]1(C2(C#N)C#N)C#N)(N)OC)(C)OC
InChI: InChI=1S/C13H14N4O4/c1-8(18)12-9(2,19-3)21-13(17,20-4)11(12,7-16)10(12,5-14)6-15/h17H2,1-4H3/t9-,11-,12+,13+/m1/s1
SMILES: C1[C@@H](N(C(=O)O1)C[C@H]2[C@H](N(C2=O)C3=CC=CC=C3)C4=CC=CS4)CC5=CC=CC=C5
InChI: InChI=1S/C24H22N2O3S/c27-23-20(15-25-19(16-29-24(25)28)14-17-8-3-1-4-9-17)22(21-12-7-13-30-21)26(23)18-10-5-2-6-11-18/h1-13,19-20,22H,14-16H2/t19-,20-,22-/m0/s1
SMILES: CC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)S(=O)(=O)CC5=CC=CC=C5
InChI: InChI=1S/C30H40O5S/c1-19(31)28-27(36(33,34)18-21-8-6-5-7-9-21)17-26-24-11-10-22-16-23(35-20(2)32)12-14-29(22,3)25(24)13-15-30(26,28)4/h5-10,23-28H,11-18H2,1-4H3/t23-,24+,25-,26-,27+,28-,29-,30-/m0/s1
SMILES: C[C@@]12CCCC(=C)[C@@H]1C[C@@H]3[C@@H](C2)OC(=O)[C@H]3CNCCC4=CC(=C(C=C4)OC)OC
InChI: InChI=1S/C25H35NO4/c1-16-6-5-10-25(2)14-23-18(13-20(16)25)19(24(27)30-23)15-26-11-9-17-7-8-21(28-3)22(12-17)29-4/h7-8,12,18-20,23,26H,1,5-6,9-11,13-15H2,2-4H3/t18-,19-,20-,23+,25-/m0/s1
SMILES: CCN1C(=CC(=N1)C(=O)C[C@@H]2[C@H](C(=O)N2)[C@@H](C)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C19H33N3O3Si/c1-9-22-12(2)10-14(21-22)16(23)11-15-17(18(24)20-15)13(3)25-26(7,8)19(4,5)6/h10,13,15,17H,9,11H2,1-8H3,(H,20,24)/t13-,15-,17-/m1/s1
SMILES: CCN(C1CCN(CC1)C[C@H]2CN(C[C@@H]2C3=CC(=CC=C3)F)[C@H](C4CCCCC4)C(=O)O)C(=O)NCC5=CC=CC=C5
InChI: InChI=1S/C34H47FN4O3/c1-2-39(34(42)36-21-25-10-5-3-6-11-25)30-16-18-37(19-17-30)22-28-23-38(24-31(28)27-14-9-15-29(35)20-27)32(33(40)41)26-12-7-4-8-13-26/h3,5-6,9-11,14-15,20,26,28,30-32H,2,4,7-8,12-13,16-19,21-24H2,1H3,(H,36,42)(H,40,41)/t28-,31+,32+/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)C4=CC=CC(=C4)CNC(=O)[C@@H](CC5=CC=CC=C5)NS(=O)(=O)C6=CC=C(C=C6)C)CN(CC7=CC=CC=C7)CC8=CC=CC=C8
InChI: InChI=1S/C56H57N3O6S/c1-40-24-30-51(31-25-40)66(62,63)58-52(33-42-14-6-3-7-15-42)55(61)57-35-46-20-12-21-48(32-46)49-22-13-23-50(34-49)56-64-53(41(2)54(65-56)47-28-26-45(39-60)27-29-47)38-59(36-43-16-8-4-9-17-43)37-44-18-10-5-11-19-44/h3-32,34,41,52-54,56,58,60H,33,35-39H2,1-2H3,(H,57,61)/t41-,52-,53+,54+,56+/m1/s1
SMILES: B(C1=CC(=CC=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=COC7=C(C6)C=C(C=C7)O)C)C8=CC(=NN8C)C9=C(C1=C(S9)C=CC(=C1)Cl)C)(O)O
InChI: InChI=1S/C43H36BClN4O8S/c1-20-29-16-24(45)7-12-34(29)58-38(20)32-18-35(47(3)46-32)49-40(52)31-17-30-27(37(43(31,2)42(49)54)22-13-21-14-26(50)8-11-33(21)57-19-22)9-10-28-36(30)41(53)48(39(28)51)25-6-4-5-23(15-25)44(55)56/h4-9,11-12,14-16,18-19,28,30-31,36-37,50,55-56H,10,13,17H2,1-3H3/t28-,30+,31-,36-,37-,43+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)N2C[C@@H](CC2=O)C(=O)O[C@@H](C)C(=O)NC3=CC=C(C=C3)C(=O)N
InChI: InChI=1S/C23H31N3O5/c1-13-5-4-6-19(14(13)2)26-12-17(11-20(26)27)23(30)31-15(3)22(29)25-18-9-7-16(8-10-18)21(24)28/h7-10,13-15,17,19H,4-6,11-12H2,1-3H3,(H2,24,28)(H,25,29)/t13-,14-,15+,17-,19+/m1/s1
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4NC=O)C)OC=O
InChI: InChI=1S/C21H33NO3/c1-20-9-7-15(25-13-24)11-14(20)3-4-16-17-5-6-19(22-12-23)21(17,2)10-8-18(16)20/h12-19H,3-11H2,1-2H3,(H,22,23)/t14-,15-,16-,17-,18-,19-,20-,21-/m0/s1
SMILES: CCON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OCC5=CC=CC(=N5)C)CCCCO)CCCCO)OCC=C)N(CC6=CC=C(C=C6)F)C(=O)CCC7CCCC7
InChI: InChI=1S/C51H66FN3O7/c1-4-29-60-51-47(55(33-37-19-22-39(52)23-20-37)48(58)26-21-36-14-6-7-15-36)32-45(54-61-5-2)43-30-38(16-8-10-27-56)42(18-9-11-28-57)49(50(43)51)44-31-41(24-25-46(44)62-51)59-34-40-17-12-13-35(3)53-40/h4,12-13,17,19-20,22-25,30-31,36,38,42,47,49-50,56-57H,1,5-11,14-16,18,21,26-29,32-34H2,2-3H3/t38-,42+,47-,49+,50+,51+/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CCC3=CC=CS3)C(=O)NC4=CC=C(C=C4)OC)O)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)C6=CC=CC=C6C7=CC=CC=C7)C
InChI: InChI=1S/C49H54N2O5S/c1-34-11-9-27-48(2)45(25-28-49(48,55)33-51(29-26-40-14-10-30-57-40)47(54)50-37-19-22-39(56-3)23-20-37)42-24-18-35(31-38(52)21-17-34)32-44(42)46(53)43-16-8-7-15-41(43)36-12-5-4-6-13-36/h4-8,10-16,18-20,22-24,30,32,38,45,52,55H,9,17,21,25-29,31,33H2,1-3H3,(H,50,54)/t38-,45-,48-,49+/m0/s1
SMILES: CCC(CC)([C@@H]1CCCN1C2=CC(=O)O[C@@H]([C@@H]2C)/C=C/C3=CC=CC=C3)OC
InChI: InChI=1S/C24H33NO3/c1-5-24(6-2,27-4)22-13-10-16-25(22)20-17-23(26)28-21(18(20)3)15-14-19-11-8-7-9-12-19/h7-9,11-12,14-15,17-18,21-22H,5-6,10,13,16H2,1-4H3/b15-14+/t18-,21-,22+/m1/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)NC3=CC=CC(=C3C)C
InChI: InChI=1S/C19H25N3O3/c1-12-7-6-9-15(14(12)3)20-16(23)11-22-17(24)19(21-18(22)25)10-5-4-8-13(19)2/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H,20,23)(H,21,25)/t13-,19-/m1/s1
SMILES: CN1C(=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)F)C6=CC=C(C=C6)Cl)NC7=CC=C(C=C7)F
InChI: InChI=1S/C33H26ClF2N3O5/c1-38-29(41)22-12-11-21-23(27(22)31(38)43)15-24-30(42)39(37-20-9-7-19(35)8-10-20)32(44)33(24,17-3-5-18(34)6-4-17)28(21)16-2-13-26(40)25(36)14-16/h2-11,13-14,22-24,27-28,37,40H,12,15H2,1H3/t22-,23+,24-,27-,28-,33+/m0/s1
SMILES: C[C@]1(C[C@H](O[C@@H]1COC(=O)C2=CC=CC=C2)OC)OC(=O)C3=CC=CC=C3
InChI: InChI=1S/C21H22O6/c1-21(27-20(23)16-11-7-4-8-12-16)13-18(24-2)26-17(21)14-25-19(22)15-9-5-3-6-10-15/h3-12,17-18H,13-14H2,1-2H3/t17-,18+,21-/m1/s1
SMILES: CC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)OC(=O)C)OC(=O)C
InChI: InChI=1S/C15H19N3O8/c1-7(20)16-11-4-5-18(15(23)17-11)14-13(25-9(3)22)12(24-8(2)21)10(6-19)26-14/h4-5,10,12-14,19H,6H2,1-3H3,(H,16,17,20,23)/t10-,12-,13-,14-/m1/s1
SMILES: CC(C)(C)[C@@H]1C=C(CS1)[C@@H]2CC(=O)S[C@@H]2C(C)(C)C
InChI: InChI=1S/C16H26OS2/c1-15(2,3)12-7-10(9-18-12)11-8-13(17)19-14(11)16(4,5)6/h7,11-12,14H,8-9H2,1-6H3/t11-,12-,14-/m0/s1
SMILES: C1=CC=C(C=C1)CN2C(=O)[C@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC=C(C=C4)Cl)C5=CC=CS5
InChI: InChI=1S/C22H17ClN2O3S/c23-15-8-10-16(11-9-15)25-19(17-7-4-12-29-17)18-20(28-25)22(27)24(21(18)26)13-14-5-2-1-3-6-14/h1-12,18-20H,13H2/t18-,19-,20-/m0/s1