EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1C[C@@H]2C[C@H]1C[C@H]2CC(=O)OCC(=O)NC(=O)C3=CC=C(C=C3)OC(F)F
InChI: InChI=1S/C19H21F2NO5/c20-19(21)27-15-5-3-12(4-6-15)18(25)22-16(23)10-26-17(24)9-14-8-11-1-2-13(14)7-11/h3-6,11,13-14,19H,1-2,7-10H2,(H,22,23,25)/t11-,13+,14-/m0/s1
SMILES: CC(C)[C@@H]1[C@@H]2[C@H](C(=O)N(C2=O)C3=CC=CC=C3Cl)[C@@]4(N1)C5=CC=CC=C5NC4=O
InChI: InChI=1S/C22H20ClN3O3/c1-11(2)18-16-17(20(28)26(19(16)27)15-10-6-4-8-13(15)23)22(25-18)12-7-3-5-9-14(12)24-21(22)29/h3-11,16-18,25H,1-2H3,(H,24,29)/t16-,17+,18+,22-/m0/s1
SMILES: C[C@]1([C@@](O[C@H]2[C@H](O1)CC=C[C@H]2O[Si](C)(C)C(C)(C)C)(C)OC)OC
InChI: InChI=1S/C18H34O5Si/c1-16(2,3)24(8,9)23-14-12-10-11-13-15(14)22-18(5,20-7)17(4,19-6)21-13/h10,12-15H,11H2,1-9H3/t13-,14-,15+,17+,18+/m1/s1
SMILES: CCCC(=O)O[C@H]1C[C@]23COC(=O)[C@H]([C@@H](CCO[C@H](/C=C/C=C\C(=O)O[C@H]4[C@]2([C@]5(CO5)[C@@H](C4)O[C@@H]3C=C1C)C)[C@H](C)O)C)O
InChI: InChI=1S/C33H46O11/c1-6-9-27(35)42-23-16-32-17-40-30(38)29(37)19(2)12-13-39-22(21(4)34)10-7-8-11-28(36)44-24-15-26(43-25(32)14-20(23)3)33(18-41-33)31(24,32)5/h7-8,10-11,14,19,21-26,29,34,37H,6,9,12-13,15-18H2,1-5H3/b10-7+,11-8-/t19-,21+,22-,23+,24-,25-,26-,29+,31-,32-,33+/m1/s1
SMILES: CCCC(=O)C[C@H]([C@H]1[C@@H]2C=C[C@H]([C@H]1CO[Si](C)(C)C(C)(C)C)O2)O
InChI: InChI=1S/C19H34O4Si/c1-7-8-13(20)11-15(21)18-14(16-9-10-17(18)23-16)12-22-24(5,6)19(2,3)4/h9-10,14-18,21H,7-8,11-12H2,1-6H3/t14-,15-,16-,17+,18+/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@@]23[C@@H]4CC[C@@]5(C[C@@]4([C@H]([C@@H]2[C@@]1(C(=O)O3)C)C(=O)OC)C(=O)C5C[Se]C6=CC=CC=C6)OC(=O)C
InChI: InChI=1S/C30H34O9Se/c1-16(31)37-21-11-13-30-20-10-12-28(38-17(2)32)15-29(20,24(33)19(28)14-40-18-8-6-5-7-9-18)22(25(34)36-4)23(30)27(21,3)26(35)39-30/h5-9,19-23H,10-15H2,1-4H3/t19?,20-,21+,22-,23-,27-,28+,29-,30-/m1/s1
SMILES: C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O[C@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)O)O
InChI: InChI=1S/C27H26O12/c28-12-21-23(34)24(35)25(39-26(36)15-9-19(31)22(33)20(32)10-15)27(38-21)37-18-8-14(7-17(30)11-18)2-1-13-3-5-16(29)6-4-13/h1-11,21,23-25,27-35H,12H2/b2-1+/t21-,23-,24+,25-,27+/m0/s1
SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@@H]2[C@@H](C[C@H]4C3(CC[C@H](C4)O)C)O)C
InChI: InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22-,23?,24-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43
InChI: InChI=1S/C24H28N2O3S/c1-18-6-2-4-8-22(18)25-24(27)15-12-19-10-13-21(14-11-19)30(28,29)26-17-16-20-7-3-5-9-23(20)26/h3,5,7,9-15,18,22H,2,4,6,8,16-17H2,1H3,(H,25,27)/b15-12+/t18-,22-/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)[C@@H](C)SC2=NN=C(S2)NC3=CC=CC=C3OC
InChI: InChI=1S/C20H28N4O2S2/c1-12-8-7-10-15(13(12)2)21-18(25)14(3)27-20-24-23-19(28-20)22-16-9-5-6-11-17(16)26-4/h5-6,9,11-15H,7-8,10H2,1-4H3,(H,21,25)(H,22,23)/t12-,13+,14-,15+/m1/s1
SMILES: C[C@H]1CC=C2C[C@H](C[C@@H]([C@@H]2[C@H]1CCC=O)OC(=O)C)OC(=O)C
InChI: InChI=1S/C18H26O5/c1-11-6-7-14-9-15(22-12(2)20)10-17(23-13(3)21)18(14)16(11)5-4-8-19/h7-8,11,15-18H,4-6,9-10H2,1-3H3/t11-,15+,16-,17-,18-/m0/s1
SMILES: CC(CC#C[C@H]1[C@@H](CC(=O)[C@@H]1CCCC/C=C/C(=O)O)O)(COC2=CC=CC=C2)O
InChI: InChI=1S/C24H30O6/c1-24(29,17-30-18-10-5-4-6-11-18)15-9-13-20-19(21(25)16-22(20)26)12-7-2-3-8-14-23(27)28/h4-6,8,10-11,14,19-20,22,26,29H,2-3,7,12,15-17H2,1H3,(H,27,28)/b14-8+/t19-,20-,22-,24?/m1/s1
SMILES: C1C[C@H]2C[C@@H]1C[C@H]2CNS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C14H18N2O4S/c17-16(18)13-3-5-14(6-4-13)21(19,20)15-9-12-8-10-1-2-11(12)7-10/h3-6,10-12,15H,1-2,7-9H2/t10-,11+,12+/m1/s1
SMILES: CC1=CC=C(C=C1)OC(=O)C[C@@H]2[C@H](C[C@@H](O2)N3C=CN4C3=NC(=O)NC4=O)C(=O)OC5=CC=C(C=C5)C
InChI: InChI=1S/C26H24N4O7/c1-15-3-7-17(8-4-15)35-22(31)14-20-19(23(32)36-18-9-5-16(2)6-10-18)13-21(37-20)29-11-12-30-25(29)27-24(33)28-26(30)34/h3-12,19-21H,13-14H2,1-2H3,(H,28,33,34)/t19-,20+,21+/m0/s1
SMILES: COC1=C(C=C(C=C1)[C@H]2[C@H]3[C@H](C(=O)NC3=O)SC4=C2SC(=O)N4)OC
InChI: InChI=1S/C16H14N2O5S2/c1-22-7-4-3-6(5-8(7)23-2)9-10-11(14(20)17-13(10)19)24-15-12(9)25-16(21)18-15/h3-5,9-11H,1-2H3,(H,18,21)(H,17,19,20)/t9-,10-,11+/m0/s1
SMILES: C[C@]12[C@@H](CC(=O)/C(=C\C(=O)OC)/CO1)O[C@H]3[C@@H]2OC(O3)(C)C
InChI: InChI=1S/C15H20O7/c1-14(2)21-12-13(22-14)20-10-6-9(16)8(5-11(17)18-4)7-19-15(10,12)3/h5,10,12-13H,6-7H2,1-4H3/b8-5-/t10-,12+,13-,15-/m1/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)NCC(=O)OC
InChI: InChI=1S/C16H23N3O7/c1-10-5-3-4-6-16(10)14(23)19(15(24)18-16)8-13(22)26-9-11(20)17-7-12(21)25-2/h10H,3-9H2,1-2H3,(H,17,20)(H,18,24)/t10-,16+/m0/s1
SMILES: COC1=C(C=C2[C@H]3[C@@H](C[N+]3(CCC2=C1)CC#N)CCl)OC
InChI: InChI=1S/C16H20ClN2O2/c1-20-14-7-11-3-5-19(6-4-18)10-12(9-17)16(19)13(11)8-15(14)21-2/h7-8,12,16H,3,5-6,9-10H2,1-2H3/q+1/t12-,16-,19?/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)CC(=C)C5=CC(=CC=C5)F)C
InChI: InChI=1S/C24H31FO4/c1-14-8-9-20-16(3)21(12-15(2)17-6-5-7-18(25)13-17)26-22-24(20)19(14)10-11-23(4,27-22)28-29-24/h5-7,13-14,16,19-22H,2,8-12H2,1,3-4H3/t14-,16-,19+,20+,21-,22-,23-,24-/m1/s1
SMILES: C1C[C@@H](OC1)[C@@H]2[C@H]([C@@H](C[S+]2CC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]
InChI: InChI=1S/C29H33O3S.CHF3O3S/c1-4-11-23(12-5-1)19-31-27-22-33(21-25-15-8-3-9-16-25)29(26-17-10-18-30-26)28(27)32-20-24-13-6-2-7-14-24;2-1(3,4)8(5,6)7/h1-9,11-16,26-29H,10,17-22H2;(H,5,6,7)/q+1;/p-1/t26-,27-,28+,29-,33?;/m1./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: C=C1[C@H]([C@@H](S[C@@H]1N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C31H25N3O6S/c1-20-26(40-30(37)23-15-9-4-10-16-23)24(19-39-29(36)22-13-7-3-8-14-22)41-28(20)34-18-17-25(33-31(34)38)32-27(35)21-11-5-2-6-12-21/h2-18,24,26,28H,1,19H2,(H,32,33,35,38)/t24-,26+,28-/m0/s1
SMILES: COC(=O)N[C@H]1CSC[C@@H]1OC(=O)CN2C(=O)C3=CC=CC=C3C2=O
InChI: InChI=1S/C16H16N2O6S/c1-23-16(22)17-11-7-25-8-12(11)24-13(19)6-18-14(20)9-4-2-3-5-10(9)15(18)21/h2-5,11-12H,6-8H2,1H3,(H,17,22)/t11-,12-/m0/s1
SMILES: COC1=CC=C(C=C1)C=N[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O)CO)O)O
InChI: InChI=1S/C14H19NO6/c1-20-9-4-2-8(3-5-9)6-15-11-13(18)12(17)10(7-16)21-14(11)19/h2-6,10-14,16-19H,7H2,1H3/t10-,11-,12+,13-,14-/m1/s1
SMILES: CC(=O)[C@H]1[C@@H]2[C@@H](C2(C)C)C=C1NC(=O)C(Cl)(Cl)Cl
InChI: InChI=1S/C12H14Cl3NO2/c1-5(17)8-7(16-10(18)12(13,14)15)4-6-9(8)11(6,2)3/h4,6,8-9H,1-3H3,(H,16,18)/t6-,8+,9-/m0/s1
SMILES: COC1=CC2=C(C[C@H]3[C@H]4[C@@]2(CCCC4)CCN3CC#C)C=C1.Br
InChI: InChI=1S/C20H25NO.BrH/c1-3-11-21-12-10-20-9-5-4-6-17(20)19(21)13-15-7-8-16(22-2)14-18(15)20;/h1,7-8,14,17,19H,4-6,9-13H2,2H3;1H/t17-,19-,20+;/m0./s1
SMILES: CC/C(=C/CN1CC[C@@]23CCCC[C@H]2[C@@H]1CC4=C3C=C(C=C4)O)/C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChI: InChI=1S/C22H31NO.C4H6O6/c1-3-16(2)9-12-23-13-11-22-10-5-4-6-19(22)21(23)14-17-7-8-18(24)15-20(17)22;5-1(3(7)8)2(6)4(9)10/h7-9,15,19,21,24H,3-6,10-14H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/b16-9+;/t19-,21-,22-;1-,2-/m01/s1
SMILES: CC(=O)OC[C@H]1[C@@H](COC(=O)[C@H]1O)[C@@]2(CC[C@@H]3[C@H]2C(=C)CCCC3(C)C)C
InChI: InChI=1S/C22H34O5/c1-13-7-6-9-21(3,4)16-8-10-22(5,18(13)16)17-12-27-20(25)19(24)15(17)11-26-14(2)23/h15-19,24H,1,6-12H2,2-5H3/t15-,16+,17+,18+,19-,22-/m0/s1
SMILES: CC(=O)O[C@H]1[C@@H]2COC(=O)[C@@H]2[C@@H](C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)OC)OC
InChI: InChI=1S/C24H24O9/c1-11(25)33-22-14-8-17-16(31-10-32-17)7-13(14)20(21-15(22)9-30-24(21)26)12-5-18(27-2)23(29-4)19(6-12)28-3/h5-8,15,20-22H,9-10H2,1-4H3/t15-,20-,21+,22-/m1/s1
SMILES: COC1=CC(=CC2=C1N[C@H]([C@H]3[C@@H]2C=CC3)[C@@H]4CCC=CC4)[N+](=O)[O-]
InChI: InChI=1S/C19H22N2O3/c1-24-17-11-13(21(22)23)10-16-14-8-5-9-15(14)18(20-19(16)17)12-6-3-2-4-7-12/h2-3,5,8,10-12,14-15,18,20H,4,6-7,9H2,1H3/t12-,14-,15+,18-/m0/s1
SMILES: C[C@@H](C(=O)O[C@@H](C)C(=O)NC(=O)NC(C)C)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O
InChI: InChI=1S/C18H25N3O6/c1-9(2)19-18(26)20-14(22)11(4)27-17(25)10(3)21-15(23)12-7-5-6-8-13(12)16(21)24/h5-6,9-13H,7-8H2,1-4H3,(H2,19,20,22,26)/t10-,11-,12-,13+/m0/s1
SMILES: CCCCCCCCCCCC(CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H](C(=O)O)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCC)CO)OP(=O)(O)O)OC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCC)OC(=O)CCCCC
InChI: InChI=1S/C69H127N2O19P/c1-7-13-19-22-25-28-31-34-40-43-54(85-61(75)46-37-16-10-4)49-59(73)70-57(68(79)80)53-84-69-65(71-60(74)50-55(86-62(76)47-38-17-11-5)44-41-35-32-29-26-23-20-14-8-2)67(66(58(52-72)88-69)90-91(81,82)83)89-64(78)51-56(87-63(77)48-39-18-12-6)45-42-36-33-30-27-24-21-15-9-3/h54-58,65-67,69,72H,7-53H2,1-6H3,(H,70,73)(H,71,74)(H,79,80)(H2,81,82,83)/t54?,55?,56?,57-,58+,65+,66+,67+,69+/m0/s1
SMILES: CCCCCCC1=CN(C(=O)N=C1N)[C@H]2[C@@H](C3C(O2)COP(=O)(O3)O)O
InChI: InChI=1S/C15H24N3O7P/c1-2-3-4-5-6-9-7-18(15(20)17-13(9)16)14-11(19)12-10(24-14)8-23-26(21,22)25-12/h7,10-12,14,19H,2-6,8H2,1H3,(H,21,22)(H2,16,17,20)/t10?,11-,12?,14-/m1/s1
SMILES: C[C@@H]1CC2=C(N1S(=O)(=O)C)C=CC(=C2)C3=CSC4=N[C@@H]5CCCC[C@@H]5N34
InChI: InChI=1S/C19H23N3O2S2/c1-12-9-14-10-13(7-8-16(14)22(12)26(2,23)24)18-11-25-19-20-15-5-3-4-6-17(15)21(18)19/h7-8,10-12,15,17H,3-6,9H2,1-2H3/t12-,15-,17+/m1/s1
SMILES: C1[C@@H]([C@]2(C(=O)O[C@H]3[C@@]2(OC[C@@H]3O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC1=O)C5=CC=C(C=C5)O
InChI: InChI=1S/C21H24O13/c22-6-12-14(26)15(27)16(28)18(31-12)34-21-17(11(24)7-30-21)32-19(29)20(21)10(5-13(25)33-20)8-1-3-9(23)4-2-8/h1-4,10-12,14-18,22-24,26-28H,5-7H2/t10-,11+,12-,14-,15+,16-,17-,18+,20-,21-/m1/s1
SMILES: CCCCCCCCCCCC(=O)N(CC1=CC=CC2=CC=CC=C21)[C@H]3CC(=NOC4CCCCO4)C5=C[C@@H]([C@H]([C@H]6[C@@H]5[C@@]3(OC7=C6C=C(C=C7)OC8=CC(=C(C=C8)OC)C=O)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C63H82N2O10/c1-4-6-7-8-9-10-11-12-13-29-59(69)65(43-47-26-22-25-45-23-14-15-27-51(45)47)58-42-55(64-75-60-30-18-21-38-71-60)53-40-46(24-16-19-35-66)52(28-17-20-36-67)61-54-41-50(73-49-31-33-56(70-3)48(39-49)44-68)32-34-57(54)74-63(58,62(53)61)72-37-5-2/h5,14-15,22-23,25-27,31-34,39-41,44,46,52,58,60-62,66-67H,2,4,6-13,16-21,24,28-30,35-38,42-43H2,1,3H3/t46-,52+,58-,60?,61+,62+,63+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C4=CSC(=N4)NS(=O)(=O)C)CC[C@@H]5[C@@]3(C=CC(=O)N5C)C
InChI: InChI=1S/C23H33N3O3S2/c1-22-11-9-16-14(5-8-19-23(16,2)12-10-20(27)26(19)3)15(22)6-7-17(22)18-13-30-21(24-18)25-31(4,28)29/h10,12-17,19H,5-9,11H2,1-4H3,(H,24,25)/t14-,15-,16-,17+,19+,22-,23+/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)C7=CC=C(C=C7)C=C)I)O
InChI: InChI=1S/C35H22Cl2F5IN2O6/c1-3-13-4-6-15(7-5-13)44-30(47)17-9-8-16-18(21(17)31(44)48)12-34(36)32(49)45(28-26(41)24(39)23(38)25(40)27(28)42)33(50)35(34,37)22(16)14-10-19(43)29(46)20(11-14)51-2/h3-8,10-11,17-18,21-22,46H,1,9,12H2,2H3/t17-,18+,21-,22-,34+,35-/m0/s1
SMILES: CCOC1=CC=C(C=C1)N2C[C@@H](CC2=O)C(=O)OC3=CC=CC(=C3)N4C(=O)[C@@H]5[C@@H]6C[C@H]([C@@H]5C4=O)C=C6
InChI: InChI=1S/C28H26N2O6/c1-2-35-21-10-8-19(9-11-21)29-15-18(13-23(29)31)28(34)36-22-5-3-4-20(14-22)30-26(32)24-16-6-7-17(12-16)25(24)27(30)33/h3-11,14,16-18,24-25H,2,12-13,15H2,1H3/t16-,17+,18-,24+,25-/m1/s1
SMILES: C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2CC3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)Cl)CC5=CC=CC=C5)O)O
InChI: InChI=1S/C33H32Cl2N2O3/c34-27-15-11-25(12-16-27)21-36-29(19-23-7-3-1-4-8-23)31(38)32(39)30(20-24-9-5-2-6-10-24)37(33(36)40)22-26-13-17-28(35)18-14-26/h1-18,29-32,38-39H,19-22H2/t29-,30-,31+,32+/m1/s1
SMILES: C[C@@H]1C[C@@H]2[C@H]3CCCN4[C@@]3(C1)[C@H](CCC4)C(=O)[C@@H]2O
InChI: InChI=1S/C16H25NO2/c1-10-8-11-12-4-2-6-17-7-3-5-13(15(19)14(11)18)16(12,17)9-10/h10-14,18H,2-9H2,1H3/t10-,11-,12-,13-,14-,16-/m1/s1
SMILES: C[C@@H]1CC[C@@H]([C@H]2[C@H]1CO[C@H](O2)C3=CC=CC=C3)C(C)C
InChI: InChI=1S/C18H26O2/c1-12(2)15-10-9-13(3)16-11-19-18(20-17(15)16)14-7-5-4-6-8-14/h4-8,12-13,15-18H,9-11H2,1-3H3/t13-,15-,16+,17+,18-/m1/s1
SMILES: C[C@@H]1CC(=C[C@@H]([C@]1(C(=O)C)C(=O)OC(C)(C)C)OC)O[Si](C)(C)C
InChI: InChI=1S/C18H32O5Si/c1-12-10-14(23-24(7,8)9)11-15(21-6)18(12,13(2)19)16(20)22-17(3,4)5/h11-12,15H,10H2,1-9H3/t12-,15+,18+/m1/s1
SMILES: CCCCCCCCCCCCCC(=O)OCC1=CC=CC=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C27H44O8/c1-2-3-4-5-6-7-8-9-10-11-12-17-23(29)33-19-20-15-13-14-16-21(20)34-27-26(32)25(31)24(30)22(18-28)35-27/h13-16,22,24-28,30-32H,2-12,17-19H2,1H3/t22-,24-,25+,26-,27-/m1/s1
SMILES: C[C@H]1CC[C@H]2[C@H](C1)C3=C(C=C(C=C3OC2(C)C)/C=C/C4=CC5=CC=CC=C5O4)O
InChI: InChI=1S/C26H28O3/c1-16-8-11-21-20(12-16)25-22(27)13-17(14-24(25)29-26(21,2)3)9-10-19-15-18-6-4-5-7-23(18)28-19/h4-7,9-10,13-16,20-21,27H,8,11-12H2,1-3H3/b10-9+/t16-,20-,21-/m0/s1
SMILES: C[C@@]12CN(C(=O)[C@@]1(NC3=CC=CC=C23)[NH3+])C(C)(C)C
InChI: InChI=1S/C15H21N3O/c1-13(2,3)18-9-14(4)10-7-5-6-8-11(10)17-15(14,16)12(18)19/h5-8,17H,9,16H2,1-4H3/p+1/t14-,15-/m0/s1
SMILES: C[C@@H]1CCC2[C@H]([C@H](O[C@H]3[C@@]24C1CC[C@@](O3)(OO4)C)OC5=CC=C(C=C5)CC(=O)OC)C
InChI: InChI=1S/C24H32O7/c1-14-5-10-19-15(2)21(27-17-8-6-16(7-9-17)13-20(25)26-4)28-22-24(19)18(14)11-12-23(3,29-22)30-31-24/h6-9,14-15,18-19,21-22H,5,10-13H2,1-4H3/t14-,15-,18?,19?,21+,22-,23+,24-/m1/s1
SMILES: C[C@@]12CCC[C@H]1[C@@H]3CC[C@@H]([C@@]([C@@H]3CC2)(C)CC(=O)O)CC(=O)O
InChI: InChI=1S/C19H30O4/c1-18-8-3-4-14(18)13-6-5-12(10-16(20)21)19(2,11-17(22)23)15(13)7-9-18/h12-15H,3-11H2,1-2H3,(H,20,21)(H,22,23)/t12-,13+,14+,15-,18+,19-/m1/s1
SMILES: C[C@H]1[C@H](CCC(=[W])O1)O[C@H]2C=CC(=O)[C@@H](O2)C
InChI: InChI=1S/C12H16O4.W/c1-8-10(13)5-6-12(15-8)16-11-4-3-7-14-9(11)2;/h5-6,8-9,11-12H,3-4H2,1-2H3;/t8-,9-,11-,12-;/m0./s1
SMILES: CC(C(=O)O)O.C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O.C[N+](C)(C)CC(=O)[O-].C(=O)(N)N
InChI: InChI=1S/C21H30O5.C5H11NO2.C3H6O3.CH4N2O/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19;1-6(2,3)4-5(7)8;1-2(4)3(5)6;2-1(3)4/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3;4H2,1-3H3;2,4H,1H3,(H,5,6);(H4,2,3,4)/t14-,15-,16-,18+,19-,20-,21-;;;/m0.../s1
SMILES: CC(=O)O[C@H]1C[C@H]2[C@@](CCC[C@]2(C)C(=O)O)([C@H]3[C@]14CC5[C@@H](C3)[C@]5(C4)C)C
InChI: InChI=1S/C22H32O4/c1-12(23)26-17-9-15-19(2,6-5-7-20(15,3)18(24)25)16-8-13-14-10-22(16,17)11-21(13,14)4/h13-17H,5-11H2,1-4H3,(H,24,25)/t13-,14?,15+,16+,17+,19-,20+,21-,22-/m1/s1
SMILES: CC(C)(C)[C@H]1CO[C@]2(N1C(=O)[C@@H]3[C@H]2C3)C4=CC=CC=C4
InChI: InChI=1S/C17H21NO2/c1-16(2,3)14-10-20-17(11-7-5-4-6-8-11)13-9-12(13)15(19)18(14)17/h4-8,12-14H,9-10H2,1-3H3/t12-,13+,14+,17+/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)CBr)Cl)Cl)C(=O)N(C4=O)CCC(=O)O)Br)Br)O
InChI: InChI=1S/C25H21Br3Cl2N2O8/c1-40-13-6-11(17(27)18(28)19(13)35)16-9-2-3-10-15(21(37)31(20(10)36)5-4-14(33)34)12(9)7-24(29)22(38)32(8-26)23(39)25(16,24)30/h2,6,10,12,15-16,35H,3-5,7-8H2,1H3,(H,33,34)/t10-,12+,15-,16+,24+,25-/m0/s1
SMILES: CC1=C([C@@H]([C@@H]2C(=N1)CCCC2=O)C3=CC=C(C=C3)Cl)C(=O)OC[C@@H]4CCCO4
InChI: InChI=1S/C22H24ClNO4/c1-13-19(22(26)28-12-16-4-3-11-27-16)20(14-7-9-15(23)10-8-14)21-17(24-13)5-2-6-18(21)25/h7-10,16,20-21H,2-6,11-12H2,1H3/t16-,20-,21+/m0/s1
SMILES: CC1=CC=CC=C1N2C(=O)[C@H]3[C@@H]4C=C[C@]([C@@H]3C2=O)(O4)CNC(=O)C5=CC=C(C=C5)OC
InChI: InChI=1S/C24H22N2O5/c1-14-5-3-4-6-17(14)26-22(28)19-18-11-12-24(31-18,20(19)23(26)29)13-25-21(27)15-7-9-16(30-2)10-8-15/h3-12,18-20H,13H2,1-2H3,(H,25,27)/t18-,19-,20-,24-/m0/s1
SMILES: C[C@H]([C@@H]1[C@H](OC(O1)(C)C)C2=CC=CC=C2)[C@H](C/C=C/C(=O)OC(C)(C)C)O
InChI: InChI=1S/C22H32O5/c1-15(17(23)13-10-14-18(24)25-21(2,3)4)19-20(27-22(5,6)26-19)16-11-8-7-9-12-16/h7-12,14-15,17,19-20,23H,13H2,1-6H3/b14-10+/t15-,17-,19+,20+/m0/s1
SMILES: CC(C)CC(=O)C[C@]1([C@H]2C(=O)C[C@@]3([C@@]2(CC=C4[C@H]3CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C(=O)O1)C)C
InChI: InChI=1S/C30H44O5/c1-17(2)14-18(31)15-29(7)24-21(32)16-28(6)20-8-9-22-26(3,4)23(33)11-12-27(22,5)19(20)10-13-30(24,28)25(34)35-29/h10,17,20,22-24,33H,8-9,11-16H2,1-7H3/t20-,22+,23+,24-,27-,28+,29+,30-/m1/s1
SMILES: CC1(O[C@@H]([C@H](O1)C2=CC=CC=C2)[C@@H]3[C@@H](O3)C(=O)C4=CC5=CC=CC=C5C=C4)C
InChI: InChI=1S/C24H22O4/c1-24(2)27-20(16-9-4-3-5-10-16)23(28-24)22-21(26-22)19(25)18-13-12-15-8-6-7-11-17(15)14-18/h3-14,20-23H,1-2H3/t20-,21+,22+,23+/m1/s1
SMILES: C[C@H]1C[C@@H]2[C@H]([C@H](C3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5[C@@H]([C@@H]4[C@H]3C)O)C)O)C)NC1
InChI: InChI=1S/C27H43NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14-16,18-25,28-30H,6-13H2,1-4H3/t14-,15+,16+,18-,19-,20-,21+,22+,23+,24-,25+,26-,27?/m0/s1
SMILES: C[C@@H]([C@H](C(=O)NCCO)NC(=O)[C@]12C[C@@H]3[C@H]4[C@@H]([C@H]1ON([C@H]2C(=O)O3)CC5=CC=CC=C5C=CC(=O)O[C@H]6C(=O)OCC6(C)C)OCO4)O
InChI: InChI=1S/C32H39N3O13/c1-16(37)21(27(39)33-10-11-36)34-30(42)32-12-19-22-23(45-15-44-22)25(32)48-35(24(32)28(40)46-19)13-18-7-5-4-6-17(18)8-9-20(38)47-26-29(41)43-14-31(26,2)3/h4-9,16,19,21-26,36-37H,10-15H2,1-3H3,(H,33,39)(H,34,42)/t16-,19+,21+,22-,23-,24-,25+,26-,32-/m0/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@H]([C@H]([C@H](O3)CO)F)O)N
InChI: InChI=1S/C10H12FN5O3/c11-5-4(1-17)19-10(7(5)18)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17-18H,1H2,(H2,12,13,14)/t4-,5+,7+,10-/m1/s1
SMILES: C1CCC(CC1)NC(=O)C2=CC=CC=C2NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-]
InChI: InChI=1S/C21H26N2O4/c24-19(15-10-4-5-11-16(15)21(26)27)23-18-13-7-6-12-17(18)20(25)22-14-8-2-1-3-9-14/h4-7,12-16H,1-3,8-11H2,(H,22,25)(H,23,24)(H,26,27)/p-1/t15-,16+/m1/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=C(C=CC(=C5)OC)O)C(=O)N(C4=O)C6=CC=C(C=C6)[N+](=O)[O-])C(=O)N(C2=O)C7=CC=CC=C7
InChI: InChI=1S/C34H29N3O8/c1-34-26(31(40)36(33(34)42)18-6-4-3-5-7-18)17-24-22(29(34)25-16-21(45-2)12-15-27(25)38)13-14-23-28(24)32(41)35(30(23)39)19-8-10-20(11-9-19)37(43)44/h3-13,15-16,23-24,26,28-29,38H,14,17H2,1-2H3/t23-,24+,26-,28-,29+,34+/m0/s1
SMILES: COC(=O)N1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)CC4=C([C@H]3C5=CC(=CC=C5)O)C(=O)C=C(C4=O)Br
InChI: InChI=1S/C24H18BrNO7/c1-33-24(32)26-22(30)13-6-5-12-14(19(13)23(26)31)8-15-20(17(28)9-16(25)21(15)29)18(12)10-3-2-4-11(27)7-10/h2-5,7,9,13-14,18-19,27H,6,8H2,1H3/t13-,14+,18-,19-/m0/s1
SMILES: CC(=C)C[C@@H]1[C@@]23C=C[C@@H](O2)[C@@H]([C@@H]3C(=O)N1CCC4=CC=CC=C4)C(=O)O
InChI: InChI=1S/C21H23NO4/c1-13(2)12-16-21-10-8-15(26-21)17(20(24)25)18(21)19(23)22(16)11-9-14-6-4-3-5-7-14/h3-8,10,15-18H,1,9,11-12H2,2H3,(H,24,25)/t15-,16-,17+,18-,21-/m1/s1
SMILES: C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)C3=NNC(=N3)CCC4=CC=CC=C4
InChI: InChI=1S/C18H18N4O2/c23-16-13-8-4-5-9-14(13)17(24)22(16)18-19-15(20-21-18)11-10-12-6-2-1-3-7-12/h1-7,13-14H,8-11H2,(H,19,20,21)/t13-,14-/m0/s1
SMILES: C[C@H]1CC(=O)[C@H]([C@@H]1C[N+](=O)[O-])CC(=O)OCC(=O)NC2=CC3=C(C=C2)OCCO3
InChI: InChI=1S/C19H22N2O8/c1-11-6-15(22)13(14(11)9-21(25)26)8-19(24)29-10-18(23)20-12-2-3-16-17(7-12)28-5-4-27-16/h2-3,7,11,13-14H,4-6,8-10H2,1H3,(H,20,23)/t11-,13-,14+/m0/s1
SMILES: CC(C)(C)C(=O)N1C[C@@H]2[C@H]([C@@H]([C@H]1CO2)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C
InChI: InChI=1S/C21H35NO6/c1-19(2,3)16(23)22-10-13-15(28-18(25)21(7,8)9)14(12(22)11-26-13)27-17(24)20(4,5)6/h12-15H,10-11H2,1-9H3/t12-,13-,14-,15-/m1/s1
SMILES: C[C@@H]1C[C@@H]1C(=O)NC2=NC(=CS2)C3=C(C=CC(=C3)OC)OC
InChI: InChI=1S/C16H18N2O3S/c1-9-6-11(9)15(19)18-16-17-13(8-22-16)12-7-10(20-2)4-5-14(12)21-3/h4-5,7-9,11H,6H2,1-3H3,(H,17,18,19)/t9-,11+/m1/s1
SMILES: C/C(=N\NC(=O)C1[C@@H]2[C@@H]1CCCC2)/C3=CC=C(C=C3)Br
InChI: InChI=1S/C16H19BrN2O/c1-10(11-6-8-12(17)9-7-11)18-19-16(20)15-13-4-2-3-5-14(13)15/h6-9,13-15H,2-5H2,1H3,(H,19,20)/b18-10+/t13-,14-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=NC2=O)Cl)N=[N+]=[N-]
InChI: InChI=1S/C11H12ClN5O4/c1-6(18)20-5-8-7(15-16-13)4-10(21-8)17-3-2-9(12)14-11(17)19/h2-3,7-8,10H,4-5H2,1H3/t7-,8+,10+/m0/s1
SMILES: C1=CSC(=C1)C(=O)[C@@H]2[C@H](NC(=S)N[C@]2(C(F)(F)F)O)C3=CC=C(C=C3)O
InChI: InChI=1S/C16H13F3N2O3S2/c17-16(18,19)15(24)11(13(23)10-2-1-7-26-10)12(20-14(25)21-15)8-3-5-9(22)6-4-8/h1-7,11-12,22,24H,(H2,20,21,25)/t11-,12+,15-/m0/s1
SMILES: C[C@@H]1C[C@]2(CO2)[C@H]([C@@H]([C@@H]1OC(=O)/C=C/C3=CC=C(C=C3)OC)OC)[C@@]4([C@H](O4)CCC(C)C)C
InChI: InChI=1S/C27H38O6/c1-17(2)7-13-21-26(4,33-21)25-24(30-6)23(18(3)15-27(25)16-31-27)32-22(28)14-10-19-8-11-20(29-5)12-9-19/h8-12,14,17-18,21,23-25H,7,13,15-16H2,1-6H3/b14-10+/t18-,21-,23-,24-,25-,26+,27+/m1/s1
SMILES: CC1O[C@H]2C3=CC=CC=C3[C@@H]([C@H](O2)OO1)CC(C)(C)C
InChI: InChI=1S/C16H22O4/c1-10-17-14-12-8-6-5-7-11(12)13(9-16(2,3)4)15(18-14)20-19-10/h5-8,10,13-15H,9H2,1-4H3/t10?,13-,14+,15+/m0/s1
SMILES: C[C@H](CCC(=O)NCC(=O)O)[C@H]1CCC2[C@@]1(CCC3C2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChI: InChI=1S/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16+,17-,18-,19?,20?,21+,24?,25+,26-/m1/s1
SMILES: C1[C@H]([C@@H]1C(=O)N[C@@H]2C[C@@H]2C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C19H19NO/c21-19(17-11-15(17)13-7-3-1-4-8-13)20-18-12-16(18)14-9-5-2-6-10-14/h1-10,15-18H,11-12H2,(H,20,21)/t15-,16+,17+,18+/m0/s1
SMILES: COC(=O)C1=CC=CC=C1N2C(=O)[C@@H]3C[NH2+][C@@]4([C@@H]3C2=O)C5=CC=CC=C5NC4=O
InChI: InChI=1S/C21H17N3O5/c1-29-19(27)11-6-2-5-9-15(11)24-17(25)12-10-22-21(16(12)18(24)26)13-7-3-4-8-14(13)23-20(21)28/h2-9,12,16,22H,10H2,1H3,(H,23,28)/p+1/t12-,16+,21-/m1/s1
SMILES: CC1=CC[C@]2([C@@H](C1)C3=CC=CC=C3OC2=O)[N+](=O)[O-]
InChI: InChI=1S/C14H13NO4/c1-9-6-7-14(15(17)18)11(8-9)10-4-2-3-5-12(10)19-13(14)16/h2-6,11H,7-8H2,1H3/t11-,14+/m0/s1
SMILES: C[C@H](CC[C@H](C)C(C)(C)OC(=O)C)[C@@H]1CC[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)O)C)O)O)C
InChI: InChI=1S/C30H52O5/c1-18(8-9-19(2)27(4,5)35-20(3)31)23-10-11-24-22-16-26(33)30(34)17-21(32)12-15-29(30,7)25(22)13-14-28(23,24)6/h18-19,21-26,32-34H,8-17H2,1-7H3/t18-,19+,21+,22-,23+,24+,25-,26-,28-,29-,30+/m1/s1
SMILES: CCCCCCNC1=NC(=O)C2=C(C(=O)N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C17H25N5O6/c1-2-3-4-5-6-18-17-20-14(26)10-11(15(27)21-17)22(8-19-10)16-13(25)12(24)9(7-23)28-16/h8-9,12-13,16,23-25H,2-7H2,1H3,(H2,18,20,21,26,27)/t9-,12-,13-,16-/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)N2C[C@@H](CC2=O)C(=O)NC3=CC=CC(=C3)C#N
InChI: InChI=1S/C20H25N3O2/c1-13-5-3-8-18(14(13)2)23-12-16(10-19(23)24)20(25)22-17-7-4-6-15(9-17)11-21/h4,6-7,9,13-14,16,18H,3,5,8,10,12H2,1-2H3,(H,22,25)/t13-,14+,16+,18-/m0/s1
SMILES: C1CN(CCN1[C@H]2CS(=O)(=O)C[C@@H]2O)C(=O)C3=CC=CC=C3
InChI: InChI=1S/C15H20N2O4S/c18-14-11-22(20,21)10-13(14)16-6-8-17(9-7-16)15(19)12-4-2-1-3-5-12/h1-5,13-14,18H,6-11H2/t13-,14-/m0/s1
SMILES: C[C@H]1[C@@H](C[C@@]2([C@]1([C@H]3CC(C[C@]3(C2)O)(C)C)C)O)O
InChI: InChI=1S/C15H26O3/c1-9-10(16)5-15(18)8-14(17)7-12(2,3)6-11(14)13(9,15)4/h9-11,16-18H,5-8H2,1-4H3/t9-,10+,11+,13+,14+,15+/m0/s1
SMILES: CC1(O[C@@H]2[C@@H]([C@H](O[C@@H]2O1)C(CO)O)OCC3=CC=CC=C3)C
InChI: InChI=1S/C16H22O6/c1-16(2)21-14-13(19-9-10-6-4-3-5-7-10)12(11(18)8-17)20-15(14)22-16/h3-7,11-15,17-18H,8-9H2,1-2H3/t11?,12-,13-,14-,15-/m1/s1
SMILES: CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)COC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3
InChI: InChI=1S/C21H28N2O4/c1-14-3-7-18(8-4-14)22-19(24)12-23(2)20(25)13-27-21(26)11-17-10-15-5-6-16(17)9-15/h3-4,7-8,15-17H,5-6,9-13H2,1-2H3,(H,22,24)/t15-,16+,17-/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4/C=N/N=C(N)N)O)C)O
InChI: InChI=1S/C21H36N4O2/c1-19-8-6-15(26)11-13(19)3-4-17-16(19)7-9-20(2)14(5-10-21(17,20)27)12-24-25-18(22)23/h12-17,26-27H,3-11H2,1-2H3,(H4,22,23,25)/b24-12+/t13-,14-,15+,16+,17-,19+,20-,21+/m1/s1
SMILES: CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3
InChI: InChI=1S/C19H28N2O3S/c1-3-21(4-2)25(23,24)18-9-7-17(8-10-18)20-19(22)13-16-12-14-5-6-15(16)11-14/h7-10,14-16H,3-6,11-13H2,1-2H3,(H,20,22)/t14-,15+,16-/m0/s1
SMILES: C[C@H]1C[C@@H]1C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3F)F
InChI: InChI=1S/C17H20F2N2O5S/c1-11-9-12(11)17(23)26-10-15(22)20-5-7-21(8-6-20)27(24,25)16-13(18)3-2-4-14(16)19/h2-4,11-12H,5-10H2,1H3/t11-,12-/m0/s1
SMILES: CCCCC[C@@H](CCCCCCCCCC(=O)OC)O[C@H]1[C@@H]([C@@H]2[C@H]([C@H](O1)C)OC(O2)(C)C)O[C@H]3[C@@H]([C@H]([C@H]4[C@H](O3)CO[C@H](O4)C5=CC=CC=C5)OC(=O)C)O
InChI: InChI=1S/C41H64O13/c1-7-8-15-22-29(23-18-12-10-9-11-13-19-24-31(43)45-6)49-40-37(36-33(26(2)47-40)53-41(4,5)54-36)52-39-32(44)35(48-27(3)42)34-30(50-39)25-46-38(51-34)28-20-16-14-17-21-28/h14,16-17,20-21,26,29-30,32-40,44H,7-13,15,18-19,22-25H2,1-6H3/t26-,29+,30-,32-,33+,34-,35-,36+,37-,38-,39+,40+/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)OCC[C@@H]1C[C@@]1(CCC(=O)O)O
InChI: InChI=1S/C17H34O4Si/c1-12(2)22(13(3)4,14(5)6)21-10-8-15-11-17(15,20)9-7-16(18)19/h12-15,20H,7-11H2,1-6H3,(H,18,19)/t15-,17-/m1/s1