EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=CC5=CC=CC=C54)O)C6=CC=C(C=C6)Cl)NC7=C(C=C(C=N7)C(F)(F)F)Cl)[C@@H]8[C@H]1C(=O)N(C8=O)C9=CC=CC(=C9)C(=O)O
InChI: InChI=1S/C43H29Cl2F3N4O7/c44-24-11-9-22(10-12-24)42-30(38(55)52(41(42)59)50-36-31(45)17-23(19-49-36)43(46,47)48)18-29-27(35(42)34-26-7-2-1-4-20(26)8-15-32(34)53)13-14-28-33(29)39(56)51(37(28)54)25-6-3-5-21(16-25)40(57)58/h1-13,15-17,19,28-30,33,35,53H,14,18H2,(H,49,50)(H,57,58)/t28-,29+,30-,33-,35+,42+/m0/s1
SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)OC(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)COC(=O)CCCCCCCCCCCCCCCCC
InChI: InChI=1S/C49H94O10/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(52)58-42(41-57-49-48(55)47(54)46(53)43(39-50)59-49)40-56-44(51)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h42-43,46-50,53-55H,3-41H2,1-2H3/t42?,43-,46-,47+,48-,49-/m1/s1
SMILES: CC(C)(C)OC(=O)N1CCC[C@H]([C@H]1C(=O)OCC2=CC=CC=C2)C(=O)NC
InChI: InChI=1S/C20H28N2O5/c1-20(2,3)27-19(25)22-12-8-11-15(17(23)21-4)16(22)18(24)26-13-14-9-6-5-7-10-14/h5-7,9-10,15-16H,8,11-13H2,1-4H3,(H,21,23)/t15-,16+/m1/s1
SMILES: C[C@H]1C2=C([C@@H]3[C@H](O1)CC(=O)O3)C(=O)C4=C(C2=O)C(=C(C=C4)OC)O
InChI: InChI=1S/C17H14O7/c1-6-11-13(17-9(23-6)5-10(18)24-17)14(19)7-3-4-8(22-2)15(20)12(7)16(11)21/h3-4,6,9,17,20H,5H2,1-2H3/t6-,9+,17-/m0/s1
SMILES: C1CC2(C[C@@H]3[C@@H]1C[C@@H]4C5=C(CCN4C3)C6=CC=CC=C6N5)OCCO2
InChI: InChI=1S/C21H26N2O2/c1-2-4-18-16(3-1)17-6-8-23-13-15-12-21(24-9-10-25-21)7-5-14(15)11-19(23)20(17)22-18/h1-4,14-15,19,22H,5-13H2/t14-,15-,19+/m0/s1
SMILES: CC[C@]12C[C@@H](N3C4=CC=CC=C4C5=C3[C@H]1N(CC5)CC=C2)O
InChI: InChI=1S/C19H22N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-7,9,16,18,22H,2,8,10-12H2,1H3/t16-,18+,19-/m0/s1
SMILES: C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)COC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)O)C)O)OC(=O)CNC(=O)OC(C)(C)C)O
InChI: InChI=1S/C46H53NO9/c1-28-23-35-43(52,38(28)49)25-30(27-54-45(31-17-11-8-12-18-31,32-19-13-9-14-20-32)33-21-15-10-16-22-33)24-34-37-42(6,7)46(37,39(50)29(2)44(34,35)53)55-36(48)26-47-40(51)56-41(3,4)5/h8-24,29,34-35,37,39,50,52-53H,25-27H2,1-7H3,(H,47,51)/t29-,34+,35-,37-,39-,43-,44-,46-/m1/s1
SMILES: C1=CC(=C(C=C1CCN)OC(=O)CCC(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)O)O)O)O
InChI: InChI=1S/C18H25NO10/c19-6-5-9-1-2-10(20)11(7-9)28-14(22)4-3-13(21)27-8-12-15(23)16(24)17(25)18(26)29-12/h1-2,7,12,15-18,20,23-26H,3-6,8,19H2/t12-,15-,16+,17-,18-/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=C(C=C(C=C5OC)O)OC)C(=O)N(C4=O)CCC6=CC=C(C=C6)O
InChI: InChI=1S/C33H31NO8/c1-16-12-24(37)28-23(31(16)38)15-22-20(29(28)30-25(41-2)13-19(36)14-26(30)42-3)8-9-21-27(22)33(40)34(32(21)39)11-10-17-4-6-18(35)7-5-17/h4-8,12-14,21-22,27,29,35-36H,9-11,15H2,1-3H3/t21-,22+,27-,29-/m0/s1
SMILES: C[C@H](CC[C@@H](C(C)C)OC(=O)C1=CC=CC=C1)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)OC(=O)C6=CC=CC=C6)C)C
InChI: InChI=1S/C41H54O4/c1-27(2)37(45-39(43)30-14-10-7-11-15-30)21-16-28(3)34-19-20-35-33-18-17-31-26-32(44-38(42)29-12-8-6-9-13-29)22-24-40(31,4)36(33)23-25-41(34,35)5/h6-15,17,27-28,32-37H,16,18-26H2,1-5H3/t28-,32+,33+,34-,35+,36+,37+,40+,41-/m1/s1
SMILES: CCOC(=O)C1=C(NC(=C1C)CCC(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C)C(=O)O)C
InChI: InChI=1S/C20H25N3O6S/c1-5-29-20(28)14-10(3)12(21-11(14)4)6-7-13(24)22-15-17(25)23-16(19(26)27)9(2)8-30-18(15)23/h15,18,21H,5-8H2,1-4H3,(H,22,24)(H,26,27)/t15-,18-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]24CCC(C(=O)O4)(C)C)CCC5=C3C=CC(=C5)O
InChI: InChI=1S/C24H32O3/c1-22(2)12-13-24(27-21(22)26)11-9-20-19-6-4-15-14-16(25)5-7-17(15)18(19)8-10-23(20,24)3/h5,7,14,18-20,25H,4,6,8-13H2,1-3H3/t18-,19-,20+,23+,24-/m1/s1
SMILES: CC(C)N(C(C)C)S(=O)(=O)C[C@@]12CC[C@@H](C1(C)C)C[C@H]2SC(=O)[C@@H](C3=CC=C(C=C3)C(=O)OC(C)(C)C)O
InChI: InChI=1S/C29H45NO6S2/c1-18(2)30(19(3)4)38(34,35)17-29-15-14-22(28(29,8)9)16-23(29)37-26(33)24(31)20-10-12-21(13-11-20)25(32)36-27(5,6)7/h10-13,18-19,22-24,31H,14-17H2,1-9H3/t22-,23-,24-,29-/m1/s1
SMILES: CC1=CC=C(C=C1)C2=NOC(=N2)CN(C)C(=O)CCN3C(=O)[C@@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C22H24N4O4/c1-14-7-9-15(10-8-14)20-23-18(30-24-20)13-25(2)19(27)11-12-26-21(28)16-5-3-4-6-17(16)22(26)29/h3-4,7-10,16-17H,5-6,11-13H2,1-2H3/t16-,17+
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3
InChI: InChI=1S/C18H25FN2O4S/c1-13-4-2-3-5-16(13)20-18(22)14-6-7-15(19)17(12-14)26(23,24)21-8-10-25-11-9-21/h6-7,12-13,16H,2-5,8-11H2,1H3,(H,20,22)/t13-,16-/m0/s1
SMILES: C1C[C@@H]([C@H](N(C1)C(=O)O[C@@H]2CCOC2)C(=O)N3CCN(CC3)C4=CC=CC=C4)C(=O)NO
InChI: InChI=1S/C22H30N4O6/c27-20(23-30)18-7-4-9-26(22(29)32-17-8-14-31-15-17)19(18)21(28)25-12-10-24(11-13-25)16-5-2-1-3-6-16/h1-3,5-6,17-19,30H,4,7-15H2,(H,23,27)/t17-,18+,19+/m1/s1
SMILES: CC(=O)NC1=CC=C(C=C1)NC(=O)[C@H]2[C@@H](C2(C)C)C=C(Cl)Cl
InChI: InChI=1S/C16H18Cl2N2O2/c1-9(21)19-10-4-6-11(7-5-10)20-15(22)14-12(8-13(17)18)16(14,2)3/h4-8,12,14H,1-3H3,(H,19,21)(H,20,22)/t12-,14+/m0/s1
SMILES: C[C@@H](C(=O)OCC(=O)NCC#C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O
InChI: InChI=1S/C16H18N2O5/c1-3-8-17-13(19)9-23-16(22)10(2)18-14(20)11-6-4-5-7-12(11)15(18)21/h1,4-5,10-12H,6-9H2,2H3,(H,17,19)/t10-,11+,12+/m0/s1
SMILES: CC(C)(C)CC(C)(C)NC(=O)N[C@@H]1CCCC[C@H]1CN2CCC[C@H](C2)CC3=CC=C(C=C3)F
InChI: InChI=1S/C28H46FN3O/c1-27(2,3)20-28(4,5)31-26(33)30-25-11-7-6-10-23(25)19-32-16-8-9-22(18-32)17-21-12-14-24(29)15-13-21/h12-15,22-23,25H,6-11,16-20H2,1-5H3,(H2,30,31,33)/t22-,23-,25+/m0/s1
SMILES: CC(C)S[C@H]1[C@@H]([C@H]([C@@H]2[C@H](O1)CO[C@H](O2)C3=CC=CC=C3)OC(=O)C)O[C@H]4[C@@H]([C@H]([C@@H](CO4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7
InChI: InChI=1S/C44H44O13S/c1-26(2)58-44-38(36(51-27(3)45)34-33(53-44)25-49-42(56-34)31-22-14-7-15-23-31)57-43-37(55-41(48)30-20-12-6-13-21-30)35(54-40(47)29-18-10-5-11-19-29)32(24-50-43)52-39(46)28-16-8-4-9-17-28/h4-23,26,32-38,42-44H,24-25H2,1-3H3/t32-,33-,34+,35+,36+,37-,38-,42-,43+,44+/m1/s1
SMILES: CC[C@@H]1[C@@](C2[C@H](C(=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(=C/C#CC4=CC=C(C=C4)N)/CO2)C)C)C)(C)O
InChI: InChI=1S/C43H63N3O10/c1-12-34-43(9,51)39-26(4)35(45-29(7)47)24(2)21-42(8,53-23-31(22-52-39)15-13-14-30-16-18-32(44)19-17-30)38(27(5)36(48)28(6)40(50)55-34)56-41-37(49)33(46(10)11)20-25(3)54-41/h15-19,24-28,33-34,37-39,41,49,51H,12,20-23,44H2,1-11H3/b31-15+,45-35?/t24-,25-,26+,27+,28-,33+,34-,37-,38-,39?,41+,42-,43-/m1/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2C4[C@H]5[C@@H]6CC[C@@H](C6)[C@H]5C3C7=C4COC7
InChI: InChI=1S/C20H26O/c1-2-10-5-9(1)15-16(10)20-14-8-21-7-13(14)19(15)17-11-3-4-12(6-11)18(17)20/h9-12,15-20H,1-8H2/t9-,10+,11+,12-,15+,16-,17-,18+,19?,20?
SMILES: CC(C)OC(=O)[C@H]1[C@H]([C@@H]([C@@](CC1=O)(C)O)C(=O)OC(C)C)C2=CC(=CC=C2)O
InChI: InChI=1S/C21H28O7/c1-11(2)27-19(24)17-15(23)10-21(5,26)18(20(25)28-12(3)4)16(17)13-7-6-8-14(22)9-13/h6-9,11-12,16-18,22,26H,10H2,1-5H3/t16-,17-,18-,21+/m1/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]35[C@H](O5)C[C@@]2([C@]1(C(=O)CCl)OC(=O)C6=CC=CO6)C)C
InChI: InChI=1S/C27H29ClO6/c1-15-11-19-18-7-6-16-12-17(29)8-9-24(16,2)27(18)22(33-27)13-25(19,3)26(15,21(30)14-28)34-23(31)20-5-4-10-32-20/h4-5,8-10,12,15,18-19,22H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,22-,24+,25+,26+,27-/m1/s1
SMILES: CC(C)(CC(=O)N1CC[C@@H]2[C@H]1C(=O)N(C(=O)N2)C3=CC=CC=C3)CC(=O)[O-]
InChI: InChI=1S/C19H23N3O5/c1-19(2,11-15(24)25)10-14(23)21-9-8-13-16(21)17(26)22(18(27)20-13)12-6-4-3-5-7-12/h3-7,13,16H,8-11H2,1-2H3,(H,20,27)(H,24,25)/p-1/t13-,16+/m1/s1
SMILES: CN1C2=C([C@H]([C@@H]3C(=O)CCC=C3N2)C4=CC=C(C=C4)Cl)C(=O)N(C1=O)C
InChI: InChI=1S/C19H18ClN3O3/c1-22-17-16(18(25)23(2)19(22)26)14(10-6-8-11(20)9-7-10)15-12(21-17)4-3-5-13(15)24/h4,6-9,14-15,21H,3,5H2,1-2H3/t14-,15-/m0/s1
SMILES: CC1=C(C(=O)C(=C(C1=O)OC)OC)[C@@H]2[C@H](CCC3=CC=CC=C23)CC(=O)N4CCOCC4
InChI: InChI=1S/C25H29NO6/c1-15-20(23(29)25(31-3)24(30-2)22(15)28)21-17(9-8-16-6-4-5-7-18(16)21)14-19(27)26-10-12-32-13-11-26/h4-7,17,21H,8-14H2,1-3H3/t17-,21-/m1/s1
SMILES: C[C@@]1(CC(=O)[C@@]2([C@]3([C@H](CCC([C@@H]3[C@@H]([C@@H]([C@]2(O1)C)OC(=O)CN(C)C)O)(C)C)O[Si](C)(C)C(C)(C)C)C)O)C=C
InChI: InChI=1S/C30H53NO7Si/c1-14-27(7)17-19(32)30(35)28(8)20(37-39(12,13)25(2,3)4)15-16-26(5,6)23(28)22(34)24(29(30,9)38-27)36-21(33)18-31(10)11/h14,20,22-24,34-35H,1,15-18H2,2-13H3/t20-,22-,23-,24-,27-,28-,29+,30-/m0/s1
SMILES: CN1[C@@H]([C@H](N(C1=O)C)NC(=O)NCC2=CC=CC=C2)NC(=O)NCC3=CC=CC=C3
InChI: InChI=1S/C21H26N6O3/c1-26-17(24-19(28)22-13-15-9-5-3-6-10-15)18(27(2)21(26)30)25-20(29)23-14-16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3,(H2,22,24,28)(H2,23,25,29)/t17-,18-/m0/s1
SMILES: COC1=CC=C(C=C1)C#CC2=CC3=C(C=C2)N(C(=O)[C@]34[C@@H]([C@H]5C(=O)O[C@@H]([C@@H](N5[C@@H]4C6=CC=C(C=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)N)C(=O)OCC9=CC=C(C=C9)[N+](=O)[O-]
InChI: InChI=1S/C52H42N4O11/c1-64-39-23-16-32(17-24-39)12-13-33-18-27-42-41(30-33)52(50(60)54(42)51(61)66-31-34-14-21-38(22-15-34)56(62)63)43(48(53)58)45-49(59)67-46(36-10-6-3-7-11-36)44(35-8-4-2-5-9-35)55(45)47(52)37-19-25-40(26-20-37)65-29-28-57/h2-11,14-27,30,43-47,57H,28-29,31H2,1H3,(H2,53,58)/t43-,44-,45-,46+,47+,52-/m0/s1
SMILES: C[C@H]([C@H]1CSC[C@@H](C1=O)C2O[C@H]([C@@H](O2)C(=O)OC(C)C)C(=O)OC(C)C)O
InChI: InChI=1S/C18H28O8S/c1-8(2)23-16(21)14-15(17(22)24-9(3)4)26-18(25-14)12-7-27-6-11(10(5)19)13(12)20/h8-12,14-15,18-19H,6-7H2,1-5H3/t10-,11-,12+,14-,15-/m1/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@H]([C@@H](CCO)O)O[Si](C)(C)C(C)(C)C)O)C
InChI: InChI=1S/C17H34O7Si/c1-16(2,3)25(6,7)24-12(10(19)8-9-18)13-11(20)14-15(21-13)23-17(4,5)22-14/h10-15,18-20H,8-9H2,1-7H3/t10-,11+,12+,13+,14-,15-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C.[Na]
InChI: InChI=1S/C19H28O5S.Na/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18;/h3,13-16H,4-11H2,1-2H3,(H,21,22,23);/t13-,14-,15-,16-,18-,19-;/m0./s1
SMILES: CCO[C@H]1[C@H]([C@H](C=C(O1)C(=O)NCC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N)C4=CC5=C(C=C4)OCO5)CCCO
InChI: InChI=1S/C32H35N3O7/c1-2-39-32-23(6-5-15-36)24(22-13-14-27-28(16-22)41-19-40-27)17-29(42-32)31(38)34-18-20-9-11-21(12-10-20)30(37)35-26-8-4-3-7-25(26)33/h3-4,7-14,16-17,23-24,32,36H,2,5-6,15,18-19,33H2,1H3,(H,34,38)(H,35,37)/t23-,24+,32+/m0/s1
SMILES: C[C@@H]1[C@H](OC2=CC(=C(C(=C12)C)O)OC)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C17H17ClO3/c1-9-15-10(2)17(11-4-6-12(18)7-5-11)21-13(15)8-14(20-3)16(9)19/h4-8,10,17,19H,1-3H3/t10-,17-/m0/s1
SMILES: C[C@H](CCC(=O)O)[C@H]1C[C@H]([C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C)O
InChI: InChI=1S/C24H40O5/c1-13(4-7-21(28)29)17-11-19(26)22-16-6-5-14-10-15(25)8-9-23(14,2)18(16)12-20(27)24(17,22)3/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15-,16-,17-,18+,19-,20+,22-,23+,24+/m1/s1
SMILES: CC(C)(C)ON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OCCN5CC5)CCCCO)CCCCO)OCC=C)N(CC6=CC=CC7=CC=CC=C76)C(=O)C8CC8
InChI: InChI=1S/C50H65N3O7/c1-5-28-58-50-45(53(48(56)35-19-20-35)33-37-16-12-15-34-13-6-7-17-39(34)37)32-43(51-60-49(2,3)4)41-30-36(14-8-10-26-54)40(18-9-11-27-55)46(47(41)50)42-31-38(21-22-44(42)59-50)57-29-25-52-23-24-52/h5-7,12-13,15-17,21-22,30-31,35-36,40,45-47,54-55H,1,8-11,14,18-20,23-29,32-33H2,2-4H3/t36-,40+,45-,46+,47+,50+/m0/s1
SMILES: CC(C)(C)OC(=O)N1CC(=C[C@]2([C@@H]1CC3=C2C(=CC=C3)OC)C4=CC(=CC=C4)OC)C5=C(C=CC(=C5)OC)Br
InChI: InChI=1S/C32H34BrNO5/c1-31(2,3)39-30(35)34-19-21(25-17-24(37-5)13-14-26(25)33)18-32(22-10-8-11-23(16-22)36-4)28(34)15-20-9-7-12-27(38-6)29(20)32/h7-14,16-18,28H,15,19H2,1-6H3/t28-,32+/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)[C@@H](CCN(C)C)O)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C19H31N3O5S/c1-9-15-14(10(2)23)18(25)22(15)16(19(26)27)17(9)28-11-7-12(20-8-11)13(24)5-6-21(3)4/h9-15,20,23-24H,5-8H2,1-4H3,(H,26,27)/t9-,10-,11+,12+,13-,14-,15-/m1/s1
SMILES: CCCN([C@H]1CC(=NOCC2=CC=CC=C2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC(=O)NCC)OCC=C)CCCCO)CCCCO)C(=O)OCCC=C
InChI: InChI=1S/C45H61N3O9/c1-5-9-27-53-44(52)48(23-6-2)40-30-38(47-55-31-32-17-11-10-12-18-32)36-28-33(19-13-15-24-49)35(20-14-16-25-50)41-37-29-34(56-43(51)46-8-4)21-22-39(37)57-45(40,42(36)41)54-26-7-3/h5,7,10-12,17-18,21-22,28-29,33,35,40-42,49-50H,1,3,6,8-9,13-16,19-20,23-27,30-31H2,2,4H3,(H,46,51)/t33-,35+,40-,41+,42+,45+/m0/s1
SMILES: CCNC(=O)NC1=CC=C(C=C1)[C@H]2O[C@H]([C@H]([C@H](O2)C3=CC=C(C=C3)CO)C)CSC4=NC=CN4C
InChI: InChI=1S/C26H32N4O4S/c1-4-27-25(32)29-21-11-9-20(10-12-21)24-33-22(16-35-26-28-13-14-30(26)3)17(2)23(34-24)19-7-5-18(15-31)6-8-19/h5-14,17,22-24,31H,4,15-16H2,1-3H3,(H2,27,29,32)/t17-,22+,23+,24+/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)C2=C(C3=CC=CC=C3C(=C2)O)O
InChI: InChI=1S/C21H25NO5/c1-12-6-5-9-17(13(12)2)22-19(24)11-27-21(26)16-10-18(23)14-7-3-4-8-15(14)20(16)25/h3-4,7-8,10,12-13,17,23,25H,5-6,9,11H2,1-2H3,(H,22,24)/t12-,13+,17-/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]([C@@H]2C(=O)NC3=CC=C(C=C3)C(=O)O)C(=O)OCC(C(F)F)(F)F
InChI: InChI=1S/C19H17F4NO5/c20-18(21)19(22,23)8-29-17(28)14-11-2-1-10(7-11)13(14)15(25)24-12-5-3-9(4-6-12)16(26)27/h1-6,10-11,13-14,18H,7-8H2,(H,24,25)(H,26,27)/t10-,11+,13+,14-/m0/s1
SMILES: CC(=O)N1[C@@H]([C@@H]2COC3=CC=CC=C3C2=N1)C4=CC(=CC=C4)O
InChI: InChI=1S/C18H16N2O3/c1-11(21)20-18(12-5-4-6-13(22)9-12)15-10-23-16-8-3-2-7-14(16)17(15)19-20/h2-9,15,18,22H,10H2,1H3/t15-,18-/m1/s1
SMILES: CCOC(=O)C1=CC=C(C=C1)[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC=C4Cl)C5(O2)C(=O)C6=CC=CC=C6C5=O
InChI: InChI=1S/C29H20ClNO7/c1-2-37-28(36)16-13-11-15(12-14-16)23-21-22(27(35)31(26(21)34)20-10-6-5-9-19(20)30)29(38-23)24(32)17-7-3-4-8-18(17)25(29)33/h3-14,21-23H,2H2,1H3/t21-,22-,23+/m0/s1
SMILES: C[C@H]1C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CCC2=CC1=O)CCC4=O)C)C
InChI: InChI=1S/C20H28O2/c1-12-11-20(3)13(10-17(12)21)4-5-14-15-6-7-18(22)19(15,2)9-8-16(14)20/h10,12,14-16H,4-9,11H2,1-3H3/t12-,14-,15-,16-,19-,20-/m0/s1
SMILES: C1CN(CCN1C2=NC=CC=N2)C(=O)[C@H]3[C@@H]4C(=O)O[C@H]([C@H](N4[C@H]([C@@]35C6=C(C=CC(=C6)C#CCCO)NC5=O)C7=CC=C(C=C7)OCCO)C8=CC=CC=C8)C9=CC=CC=C9
InChI: InChI=1S/C47H44N6O7/c54-27-8-7-10-31-15-20-37-36(30-31)47(45(58)50-37)38(43(56)51-23-25-52(26-24-51)46-48-21-9-22-49-46)40-44(57)60-41(33-13-5-2-6-14-33)39(32-11-3-1-4-12-32)53(40)42(47)34-16-18-35(19-17-34)59-29-28-55/h1-6,9,11-22,30,38-42,54-55H,8,23-29H2,(H,50,58)/t38-,39-,40-,41+,42+,47-/m1/s1
SMILES: CC(C)(C)[C@H]1CC=C2[C@H](C1)[C@@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC(=C(C=C3)F)F
InChI: InChI=1S/C23H22F2N4/c1-22(2,3)14-5-6-15-16(9-14)20(13-4-7-18(24)19(25)8-13)23(11-27,12-28)21(29)17(15)10-26/h4,6-8,14,16,20H,5,9,29H2,1-3H3/t14-,16-,20-/m0/s1
SMILES: COC1=C(C=C(C=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)CC7=CC=CC=C7)O
InChI: InChI=1S/C34H23Cl2F5N2O6/c1-49-20-10-7-15(11-19(20)44)22-16-8-9-17-21(30(46)42(29(17)45)13-14-5-3-2-4-6-14)18(16)12-33(35)31(47)43(32(48)34(22,33)36)28-26(40)24(38)23(37)25(39)27(28)41/h2-8,10-11,17-18,21-22,44H,9,12-13H2,1H3/t17-,18+,21-,22-,33+,34-/m0/s1
SMILES: C1=CC=C2C(=C1)C(=O)C3(C2=O)[C@H]4[C@@H]([C@@H](O3)C5=CC=C(C=C5)Br)C(=O)N(C4=O)C6=C(C(=CC=C6)Cl)Cl
InChI: InChI=1S/C26H14BrCl2NO5/c27-13-10-8-12(9-11-13)21-18-19(25(34)30(24(18)33)17-7-3-6-16(28)20(17)29)26(35-21)22(31)14-4-1-2-5-15(14)23(26)32/h1-11,18-19,21H/t18-,19-,21-/m0/s1
SMILES: CC1(COC(=N1)[C@]2([C@@H](O2)C3CCCCC3)CC4=CC=CC=C4)C
InChI: InChI=1S/C20H27NO2/c1-19(2)14-22-18(21-19)20(13-15-9-5-3-6-10-15)17(23-20)16-11-7-4-8-12-16/h3,5-6,9-10,16-17H,4,7-8,11-14H2,1-2H3/t17-,20+/m0/s1
SMILES: CC[C@]12CC(=O)[C@@]3([C@H]1N(CC3)C(=O)C[C@@H]2OC)C4=CC=CC=C4
InChI: InChI=1S/C19H23NO3/c1-3-18-12-14(21)19(13-7-5-4-6-8-13)9-10-20(17(18)19)16(22)11-15(18)23-2/h4-8,15,17H,3,9-12H2,1-2H3/t15-,17-,18+,19-/m0/s1
SMILES: CCC[C@@H]1[C@H]([C@H](/C=C/CCCC(=O)O1)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C24H48O4Si2/c1-12-16-19-22(28-30(10,11)24(5,6)7)20(27-29(8,9)23(2,3)4)17-14-13-15-18-21(25)26-19/h14,17,19-20,22H,12-13,15-16,18H2,1-11H3/b17-14+/t19-,20+,22-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H](CC(O[C@H]1[C@@H]([C@@H](CO)O)O)C(=O)O)O
InChI: InChI=1S/C11H19NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h5-10,13,15-17H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7?,8+,9+,10+/m0/s1
SMILES: CCCC#C[C@@H]([C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]45[C@@]3(CC[C@H]4C5)C)OC)C)O
InChI: InChI=1S/C28H44O2/c1-6-7-8-9-24(29)18(2)21-10-11-22-20-16-25(30-5)28-17-19(28)12-15-27(28,4)23(20)13-14-26(21,22)3/h18-25,29H,6-7,10-17H2,1-5H3/t18-,19-,20-,21+,22-,23-,24-,25+,26+,27+,28-/m0/s1
SMILES: C[C@H](/C=C/C(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H]([C@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
InChI: InChI=1S/C24H38O5/c1-13(4-7-19(26)27)15-5-6-16-20-17(9-11-23(15,16)2)24(3)10-8-14(25)12-18(24)21(28)22(20)29/h4,7,13-18,20-22,25,28-29H,5-6,8-12H2,1-3H3,(H,26,27)/b7-4+/t13-,14-,15-,16+,17+,18+,20+,21+,22+,23-,24-/m1/s1
SMILES: CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@H]([C@H](C2)C3=CC=C(C=C3)/C=C\I)C(=O)O
InChI: InChI=1S/C21H26INO4/c1-21(2,3)27-20(26)23-15-8-9-17(23)18(19(24)25)16(12-15)14-6-4-13(5-7-14)10-11-22/h4-7,10-11,15-18H,8-9,12H2,1-3H3,(H,24,25)/b11-10-/t15-,16+,17+,18-/m0/s1
SMILES: C[C@H]1[C@@H](CCC2=CC(=O)[C@@H](C[C@]12C)C(=C)C=O)O
InChI: InChI=1S/C15H20O3/c1-9(8-16)12-7-15(3)10(2)13(17)5-4-11(15)6-14(12)18/h6,8,10,12-13,17H,1,4-5,7H2,2-3H3/t10-,12-,13+,15+/m0/s1
SMILES: CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)NCCNC2=NC=C(C=C2)[N+](=O)[O-])C3=CSC=C3)CCCO
InChI: InChI=1S/C22H28N4O6S/c1-2-31-22-17(4-3-10-27)18(15-7-11-33-14-15)12-19(32-22)21(28)24-9-8-23-20-6-5-16(13-25-20)26(29)30/h5-7,11-14,17-18,22,27H,2-4,8-10H2,1H3,(H,23,25)(H,24,28)/t17-,18-,22-/m1/s1
SMILES: CO[C@H]1CC[C@]2(CNC3[C@]14[C@@H]2[C@H]([C@]3([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)COC(=O)C7=CC=CC=C7N
InChI: InChI=1S/C30H42N2O8/c1-36-19-12-28(34)21-17(11-16(19)22(21)38-3)29-20(37-2)9-10-27(14-40-25(33)15-7-5-6-8-18(15)31)13-32-26(29)30(28,35)24(39-4)23(27)29/h5-8,16-17,19-24,26,32,34-35H,9-14,31H2,1-4H3/t16-,17-,19+,20+,21-,22+,23-,24-,26?,27+,28-,29+,30+/m1/s1
SMILES: CC1(OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@H](O2)OCC=C)O)OC(C)(C)C)C
InChI: InChI=1S/C16H28O6/c1-7-8-18-14-11(17)13(21-15(2,3)4)12-10(20-14)9-19-16(5,6)22-12/h7,10-14,17H,1,8-9H2,2-6H3/t10-,11-,12-,13-,14+/m1/s1
SMILES: CC1=NC2=C(N1C)C=CC3=C2N[C@@H]([C@H]([C@@H]3CC#N)O)C4=CC=CC=C4
InChI: InChI=1S/C20H20N4O/c1-12-22-19-16(24(12)2)9-8-14-15(10-11-21)20(25)17(23-18(14)19)13-6-4-3-5-7-13/h3-9,15,17,20,23,25H,10H2,1-2H3/t15-,17-,20+/m1/s1
SMILES: COC1=CC(=C(C=C1)OC)NC(=O)CN2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O
InChI: InChI=1S/C19H22N2O5/c1-25-12-5-6-14(26-2)13(8-12)20-15(22)9-21-18(23)16-10-3-4-11(7-10)17(16)19(21)24/h5-6,8,10-11,16-17H,3-4,7,9H2,1-2H3,(H,20,22)/t10-,11+,16-,17+
SMILES: C[C@H]1[C@H]2CCN(C[C@@]2(CC[C@@H]1O)C)CC3=CC=CC=C3
InChI: InChI=1S/C18H27NO/c1-14-16-9-11-19(12-15-6-4-3-5-7-15)13-18(16,2)10-8-17(14)20/h3-7,14,16-17,20H,8-13H2,1-2H3/t14-,16+,17-,18-/m0/s1
SMILES: C1CN(C(=O)[C@H]([C@@H]1C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)N=[N+]=[N-])[C@@H](CO)C5=CC=CC=C5
InChI: InChI=1S/C28H27N5O2/c29-31-30-27-23(15-16-33(28(27)35)26(19-34)21-11-5-2-6-12-21)24-18-32(17-20-9-3-1-4-10-20)25-14-8-7-13-22(24)25/h1-14,18,23,26-27,34H,15-17,19H2/t23-,26-,27-/m0/s1
SMILES: CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@H]2CCCC[C@H]2CC(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N
InChI: InChI=1S/C48H60N8O10S/c1-28(57)51-39(23-30-16-18-33(58)19-17-30)46(64)53-35-14-8-6-12-31(35)25-42(59)52-40(24-32-27-50-36-15-9-7-13-34(32)36)47(65)54-37(20-21-67-2)45(63)56-41(26-43(60)61)48(66)55-38(44(49)62)22-29-10-4-3-5-11-29/h3-5,7,9-11,13,15-19,27,31,35,37-41,50,58H,6,8,12,14,20-26H2,1-2H3,(H2,49,62)(H,51,57)(H,52,59)(H,53,64)(H,54,65)(H,55,66)(H,56,63)(H,60,61)/t31-,35-,37-,38-,39-,40-,41-/m0/s1
SMILES: CCCNC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=CC43)F)O)C)C)O
InChI: InChI=1S/C23H32FNO4/c1-4-9-25-20(28)23(29)13(2)10-18-17-7-5-14-11-15(26)6-8-16(14)22(17,24)19(27)12-21(18,23)3/h6,8,11,13,16-19,27,29H,4-5,7,9-10,12H2,1-3H3,(H,25,28)/t13-,16?,17+,18+,19+,21+,22+,23+/m1/s1
SMILES: CC1=CC(=CC=C1)N2C(=O)[C@@H]3[C@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)C(C)(C)C
InChI: InChI=1S/C28H28N2O3/c1-18-9-8-12-22(17-18)29-26(31)23-24(19-13-15-20(16-14-19)28(2,3)4)30(33-25(23)27(29)32)21-10-6-5-7-11-21/h5-17,23-25H,1-4H3/t23-,24-,25+/m1/s1
SMILES: CC1=CC(=CC=C1)OC(=O)C[C@H]2CS(=O)(=O)C[C@@H]2CC(=O)OC3=CC=CC(=C3)C
InChI: InChI=1S/C22H24O6S/c1-15-5-3-7-19(9-15)27-21(23)11-17-13-29(25,26)14-18(17)12-22(24)28-20-8-4-6-16(2)10-20/h3-10,17-18H,11-14H2,1-2H3/t17-,18-/m0/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@@H](NC3=C(C=CC(=C23)C(=O)[O-])Cl)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C20H16ClNO4/c21-14-6-5-13(20(23)24)17-11-2-1-3-12(11)18(22-19(14)17)10-4-7-15-16(8-10)26-9-25-15/h1-2,4-8,11-12,18,22H,3,9H2,(H,23,24)/p-1/t11-,12+,18-/m0/s1
SMILES: CC1=C(C2=C(C=C1)[C@@H]3CC=C4C[C@H](CC[C@@]4([C@H]3CC2)C)C(=O)O)C
InChI: InChI=1S/C22H28O2/c1-13-4-6-18-17(14(13)2)8-9-20-19(18)7-5-16-12-15(21(23)24)10-11-22(16,20)3/h4-6,15,19-20H,7-12H2,1-3H3,(H,23,24)/t15-,19-,20-,22-/m0/s1
SMILES: CCCCC[C@H]1[C@H](N([C@@H](C[C@@]1(CCCC)O)C2=CC=CC=C2)C)C3=CC=CC=C3
InChI: InChI=1S/C27H39NO/c1-4-6-10-19-24-26(23-17-13-9-14-18-23)28(3)25(22-15-11-8-12-16-22)21-27(24,29)20-7-5-2/h8-9,11-18,24-26,29H,4-7,10,19-21H2,1-3H3/t24-,25-,26+,27+/m0/s1
SMILES: C1=CC=C(C=C1)COC(=O)[C@H](CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)N6C(=O)C7=C(C6=O)C(=C(C(=C7Cl)Cl)Cl)Cl)NC(=O)OCC8=CC=CC=C8
InChI: InChI=1S/C53H40Cl4N2O14/c54-39-37-38(40(55)42(57)41(39)56)47(61)59(46(37)60)43-45(73-50(64)34-24-14-5-15-25-34)44(72-49(63)33-22-12-4-13-23-33)36(29-68-48(62)32-20-10-3-11-21-32)71-52(43)69-28-35(51(65)67-26-30-16-6-1-7-17-30)58-53(66)70-27-31-18-8-2-9-19-31/h1-25,35-36,43-45,52H,26-29H2,(H,58,66)/t35-,36+,43+,44+,45+,52+/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COC(=O)CN)OCC3=CC(=C(S3)Cl)Cl
InChI: InChI=1S/C16H16Cl2FN3O6S/c17-8-1-7(29-14(8)18)5-26-10-2-12(28-11(10)6-27-13(23)3-20)22-4-9(19)15(24)21-16(22)25/h1,4,10-12H,2-3,5-6,20H2,(H,21,24,25)/t10-,11+,12+/m0/s1
SMILES: COC1=C(C=C(C=C1)[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC=C4OC)ON2C5=CC=CC=C5)Br
InChI: InChI=1S/C25H21BrN2O5/c1-31-19-13-12-15(14-17(19)26)22-21-23(33-28(22)16-8-4-3-5-9-16)25(30)27(24(21)29)18-10-6-7-11-20(18)32-2/h3-14,21-23H,1-2H3/t21-,22-,23+/m1/s1
SMILES: CCCCN1C(=O)[C@@H]2[C@@H](N(O[C@@H]2C1=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI: InChI=1S/C21H21ClN2O3/c1-2-3-13-23-20(25)17-18(14-7-5-4-6-8-14)24(27-19(17)21(23)26)16-11-9-15(22)10-12-16/h4-12,17-19H,2-3,13H2,1H3/t17-,18+,19+/m1/s1
SMILES: C/C=C/C=C(/C)\C(=O)O[C@H]1[C@@H]([C@@H](O[C@@H]([C@H]1OC)CO)OC[C@]23C[C@@H]4[C@@H](CC[C@H]4[C@@]5([C@]2(C(=C[C@H]3C5)C(C)C)C(=O)O)C=O)C)O
InChI: InChI=1S/C34H48O10/c1-7-8-9-20(5)29(38)44-28-26(37)30(43-25(15-35)27(28)41-6)42-17-33-14-22-19(4)10-11-23(22)32(16-36)13-21(33)12-24(18(2)3)34(32,33)31(39)40/h7-9,12,16,18-19,21-23,25-28,30,35,37H,10-11,13-15,17H2,1-6H3,(H,39,40)/b8-7+,20-9-/t19-,21+,22-,23-,25-,26+,27-,28+,30-,32+,33+,34+/m1/s1
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)O)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)NC(=O)C(CC(C)C)CC(=O)NO
InChI: InChI=1S/C39H66N10O12S/c1-21(2)15-23(17-30(51)49-61)36(57)46-26(16-22(3)4)38(59)45-25(12-13-33(54)55)37(58)43-18-31(52)42-19-32(53)44-24(35(40)56)9-7-8-14-41-29(50)11-6-5-10-28-34-27(20-62-28)47-39(60)48-34/h21-28,34,61H,5-20H2,1-4H3,(H2,40,56)(H,41,50)(H,42,52)(H,43,58)(H,44,53)(H,45,59)(H,46,57)(H,49,51)(H,54,55)(H2,47,48,60)/t23?,24-,25-,26-,27-,28-,34-/m0/s1
SMILES: [2H]C([2H])(COC(=O)C)[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C38H42O7/c1-29(39)41-23-22-34-36(42-25-31-16-8-3-9-17-31)38(44-27-33-20-12-5-13-21-33)37(43-26-32-18-10-4-11-19-32)35(45-34)28-40-24-30-14-6-2-7-15-30/h2-21,34-38H,22-28H2,1H3/t34-,35+,36-,37-,38+/m0/s1/i22D2
SMILES: C[C@@H]1C[C@@H]([C@]2([C@H](CCC[C@@H]2[C@@]1(C)CCSC3=CC=CC=C3)CO)C)O
InChI: InChI=1S/C22H34O2S/c1-16-14-20(24)22(3)17(15-23)8-7-11-19(22)21(16,2)12-13-25-18-9-5-4-6-10-18/h4-6,9-10,16-17,19-20,23-24H,7-8,11-15H2,1-3H3/t16-,17-,19-,20+,21+,22+/m1/s1
SMILES: CS(=O)(=O)O[C@@H](COC(=O)C1=CC=CC=C1)[C@H]2CC(=O)O[C@H]2CN
InChI: InChI=1S/C15H19NO7S/c1-24(19,20)23-13(11-7-14(17)22-12(11)8-16)9-21-15(18)10-5-3-2-4-6-10/h2-6,11-13H,7-9,16H2,1H3/t11-,12-,13-/m0/s1
SMILES: C[C@H](C(=O)O)NCC1=C(C=CO1)CC[C@@H]2C(=C)CC[C@H]3[C@@]2(CCC[C@@]3(C)C(=O)OC)C
InChI: InChI=1S/C25H37NO5/c1-16-7-10-21-24(3,12-6-13-25(21,4)23(29)30-5)19(16)9-8-18-11-14-31-20(18)15-26-17(2)22(27)28/h11,14,17,19,21,26H,1,6-10,12-13,15H2,2-5H3,(H,27,28)/t17-,19-,21+,24-,25-/m1/s1