EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1CN3CCNCC3CNS(=O)(=O)N)C(=O)O)[C@@H](C)O
InChI: InChI=1S/C16H27N5O6S/c1-8-11(7-20-4-3-18-5-10(20)6-19-28(17,26)27)14(16(24)25)21-13(8)12(9(2)22)15(21)23/h8-10,12-13,18-19,22H,3-7H2,1-2H3,(H,24,25)(H2,17,26,27)/t8-,9+,10?,12+,13+/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O1)[C@H](O[C@@H]([C@H]2OCC3=CC(=C(C=C3Br)OC)OC)C=O)OC)C
InChI: InChI=1S/C19H25BrO8/c1-19(2)27-16-15(14(8-21)26-18(24-5)17(16)28-19)25-9-10-6-12(22-3)13(23-4)7-11(10)20/h6-8,14-18H,9H2,1-5H3/t14-,15-,16+,17+,18+/m1/s1
SMILES: CC(=O)OC[C@@H]1C=C[C@H]([C@H](O1)C#C[Si](C)(C)C)O[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C
InChI: InChI=1S/C29H38O4Si2/c1-23(30)31-22-24-18-19-28(27(32-24)20-21-34(5,6)7)33-35(29(2,3)4,25-14-10-8-11-15-25)26-16-12-9-13-17-26/h8-19,24,27-28H,22H2,1-7H3/t24-,27+,28+/m0/s1
SMILES: CC1([C@H]([C@H]1C(=O)OC2=CC3=CC=CC=C3C=C2)C=C(Cl)Cl)C
InChI: InChI=1S/C18H16Cl2O2/c1-18(2)14(10-15(19)20)16(18)17(21)22-13-8-7-11-5-3-4-6-12(11)9-13/h3-10,14,16H,1-2H3/t14-,16-/m0/s1
SMILES: C[C@@]12[C@H]3[C@@H]4[C@]1(C(=O)C(=O)C=C4OCCCCCCOC3=CC(=O)C2=O)C
InChI: InChI=1S/C20H22O6/c1-19-15-13(9-11(21)17(19)23)25-7-5-3-4-6-8-26-14-10-12(22)18(24)20(19,2)16(14)15/h9-10,15-16H,3-8H2,1-2H3/t15-,16-,19+,20+/m1/s1
SMILES: C1=C[C@@]2([C@H]([C@@H]([C@]1(O2)CCC=O)C#N)C#N)CCC=O
InChI: InChI=1S/C14H14N2O3/c15-9-11-12(10-16)14(4-2-8-18)6-5-13(11,19-14)3-1-7-17/h5-8,11-12H,1-4H2/t11-,12-,13-,14+/m0/s1
SMILES: CN1CC2=C(C1)SC(=N2)C(=O)N[C@@H]3C[C@H](CC[C@@H]3NC(=S)C(=O)NC4=NC=C(C=C4)Cl)C(=O)N(C)C
InChI: InChI=1S/C23H28ClN7O3S2/c1-30(2)23(34)12-4-6-14(27-21(35)19(32)29-18-7-5-13(24)9-25-18)15(8-12)26-20(33)22-28-16-10-31(3)11-17(16)36-22/h5,7,9,12,14-15H,4,6,8,10-11H2,1-3H3,(H,26,33)(H,27,35)(H,25,29,32)/t12-,14-,15+/m0/s1
SMILES: C1[C@@H]([C@H]([C@@H]([C@H](C(S1)SC2=CC=C(C=C2)[N+](=O)[O-])O)O)O)O
InChI: InChI=1S/C12H15NO6S2/c14-8-5-20-12(11(17)10(16)9(8)15)21-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10-,11+,12?/m0/s1
SMILES: COC1=CC=CC2=C1N[C@@H]([C@@H]3[C@H]2C=CC3)C4=CC=CC=C4[N+](=O)[O-]
InChI: InChI=1S/C19H18N2O3/c1-24-17-11-5-9-14-12-7-4-8-13(12)18(20-19(14)17)15-6-2-3-10-16(15)21(22)23/h2-7,9-13,18,20H,8H2,1H3/t12-,13+,18+/m1/s1
SMILES: C[C@H]1C[C@@H]1C2=CC=C(O2)/C=C(\C#N)/C3=NN=C4N3CCCCC4
InChI: InChI=1S/C18H20N4O/c1-12-9-15(12)16-7-6-14(23-16)10-13(11-19)18-21-20-17-5-3-2-4-8-22(17)18/h6-7,10,12,15H,2-5,8-9H2,1H3/b13-10+/t12-,15-/m0/s1
SMILES: C[C@@]1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)OCC3=CC=CC=C3)C(=O)O
InChI: InChI=1S/C15H15NO7S/c1-15(14(19)20)12(16-10(17)7-11(16)24(15,21)22)13(18)23-8-9-5-3-2-4-6-9/h2-6,11-12H,7-8H2,1H3,(H,19,20)/t11-,12+,15-/m1/s1
SMILES: C[C@H]1CC2=C(C(=C(N2)C(=O)OCCSC)C)C(=O)[C@H]1C(=O)OC
InChI: InChI=1S/C16H21NO5S/c1-8-7-10-12(14(18)11(8)15(19)21-3)9(2)13(17-10)16(20)22-5-6-23-4/h8,11,17H,5-7H2,1-4H3/t8-,11-/m0/s1
SMILES: COC1=CC(=CC2=C1O[C@H]3[C@@H]2C(=C[C@H]([C@@H]3O)N(CC(F)(F)F)C(=O)C4CCCC4)C(=O)NCCO)C=O
InChI: InChI=1S/C25H29F3N2O7/c1-36-18-9-13(11-32)8-15-19-16(23(34)29-6-7-31)10-17(20(33)22(19)37-21(15)18)30(12-25(26,27)28)24(35)14-4-2-3-5-14/h8-11,14,17,19-20,22,31,33H,2-7,12H2,1H3,(H,29,34)/t17-,19+,20+,22+/m1/s1
SMILES: CC(=O)OC[C@]1([C@H]2[C@H](C34[C@H]5[C@](O2)(OC1C3C(O5)N=C(N4)N)O)O)OC(=O)C
InChI: InChI=1S/C15H19N3O9/c1-4(19)23-3-13(25-5(2)20)8-6-10-17-12(16)18-14(6)7(21)9(13)27-15(22,26-8)11(14)24-10/h6-11,21-22H,3H2,1-2H3,(H3,16,17,18)/t6?,7-,8?,9-,10?,11+,13+,14?,15-/m1/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3CC=C([C@@H]([C@@]3(C2=O)C4=CC=CC=C4)C5=C(C=C(C=C5)O)Cl)C=C
InChI: InChI=1S/C29H25ClN2O3/c1-3-19-11-16-24-27(34)32(31-21-12-9-18(2)10-13-21)28(35)29(24,20-7-5-4-6-8-20)26(19)23-15-14-22(33)17-25(23)30/h3-15,17,24,26,31,33H,1,16H2,2H3/t24-,26+,29+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@](O2)(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(=O)C(C)(C)C)O
InChI: InChI=1S/C15H25N2O15P3/c1-8-6-17(13(21)16-11(8)19)10-5-9(18)15(30-10,12(20)14(2,3)4)7-29-34(25,26)32-35(27,28)31-33(22,23)24/h6,9-10,18H,5,7H2,1-4H3,(H,25,26)(H,27,28)(H,16,19,21)(H2,22,23,24)/t9-,10+,15+/m0/s1
SMILES: C=CC[C@]12CCC[C@H]1C(=CC2=S)SCCCSCC=C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W]
InChI: InChI=1S/C17H24S3.5CO.W/c1-3-8-17-9-5-7-14(17)15(13-16(17)18)20-12-6-11-19-10-4-2;5*1-2;/h3-4,13-14H,1-2,5-12H2;;;;;;/t14-,17-;;;;;;/m0....../s1
SMILES: C[C@]12CCCC(=C)[C@@H]1C[C@H]3[C@@H](C2)OC(=O)[C@H]3CN4CCC(CC4)C(=O)C5=CC=CC=C5
InChI: InChI=1S/C27H35NO3/c1-18-7-6-12-27(2)16-24-21(15-23(18)27)22(26(30)31-24)17-28-13-10-20(11-14-28)25(29)19-8-4-3-5-9-19/h3-5,8-9,20-24H,1,6-7,10-17H2,2H3/t21-,22+,23+,24-,27-/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)[C@H](C3=CC=CC=C3S2)C4=CC=CC=C4
InChI: InChI=1S/C19H20S/c1-2-8-14(9-3-1)19-15-10-4-6-12-17(15)20-18-13-7-5-11-16(18)19/h1-4,6,8-10,12,16,18-19H,5,7,11,13H2/t16-,18+,19+/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2C(=O)N(C3=O)C4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)Br
InChI: InChI=1S/C22H16BrNO4/c23-15-5-3-12(4-6-15)22(27)28-17-9-7-16(8-10-17)24-20(25)18-13-1-2-14(11-13)19(18)21(24)26/h1-10,13-14,18-19H,11H2/t13-,14+,18+,19-
SMILES: C[C@@H]1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)NC4=C(C=CC=C4C)C
InChI: InChI=1S/C24H26N2O3/c1-14-10-11-19-20(12-14)24(29)26(23(19)28)18-9-5-8-17(13-18)22(27)25-21-15(2)6-4-7-16(21)3/h4-9,13-14,19-20H,10-12H2,1-3H3,(H,25,27)/t14-,19+,20-/m1/s1
SMILES: C1[C@@H]2[C@@H](CS1(=O)=O)SC(=N)N2CC3=CC=C(C=C3)Cl
InChI: InChI=1S/C12H13ClN2O2S2/c13-9-3-1-8(2-4-9)5-15-10-6-19(16,17)7-11(10)18-12(15)14/h1-4,10-11,14H,5-7H2/t10-,11-/m1/s1
SMILES: C[C@@H]1[C@H]([C@H]2[C@@H]([C@H](O1)SC3=CC=CC=C3)OC(O2)(C)C)O[Si](C(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C24H40O4SSi/c1-15(2)30(16(3)4,17(5)6)28-20-18(7)25-23(29-19-13-11-10-12-14-19)22-21(20)26-24(8,9)27-22/h10-18,20-23H,1-9H3/t18-,20-,21+,22+,23-/m1/s1
SMILES: CC1=C2[C@H]3[C@H](C3(C)C)CC2=C(S1)C(=O)CCC4=CC(=C(C(=C4)Cl)OC[C@H](CO)O)OC
InChI: InChI=1S/C24H29ClO5S/c1-12-20-15(9-16-21(20)24(16,2)3)23(31-12)18(28)6-5-13-7-17(25)22(19(8-13)29-4)30-11-14(27)10-26/h7-8,14,16,21,26-27H,5-6,9-11H2,1-4H3/t14-,16+,21+/m0/s1
SMILES: CCOC1=CC=CC=C1[C@@H]2[C@@H](C(=O)NC(=C2C#N)SCC(=O)NC3=CC(=CC=C3)OC)C(=O)OCC
InChI: InChI=1S/C26H27N3O6S/c1-4-34-20-12-7-6-11-18(20)22-19(14-27)25(29-24(31)23(22)26(32)35-5-2)36-15-21(30)28-16-9-8-10-17(13-16)33-3/h6-13,22-23H,4-5,15H2,1-3H3,(H,28,30)(H,29,31)/t22-,23-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N2C3=C4C(=C5C(=C3C6=C2N=CC=C6)C(=O)N(C5=O)C)C7=C(N4)C=CC(=C7)[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C34H29N5O13/c1-13(40)48-12-21-28(49-14(2)41)29(50-15(3)42)30(51-16(4)43)34(52-21)38-27-23(18-7-6-10-35-31(18)38)25-24(32(44)37(5)33(25)45)22-19-11-17(39(46)47)8-9-20(19)36-26(22)27/h6-11,21,28-30,34,36H,12H2,1-5H3/t21-,28-,29+,30-,34-/m1/s1
SMILES: C1[C@H]([C@H]1C(=O)N(CC2=CC=CC=C2)CC3=CC=CN3CC4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C29H28N2O/c32-29(28-19-27(28)25-15-8-3-9-16-25)31(21-24-13-6-2-7-14-24)22-26-17-10-18-30(26)20-23-11-4-1-5-12-23/h1-18,27-28H,19-22H2/t27-,28-/m0/s1
SMILES: C[C@H]1CC[C@H](C[C@@H]1OC(=O)C[N+]2=CC=CC(=C2)C(=O)NCCO)C(C)C
InChI: InChI=1S/C20H30N2O4/c1-14(2)16-7-6-15(3)18(11-16)26-19(24)13-22-9-4-5-17(12-22)20(25)21-8-10-23/h4-5,9,12,14-16,18,23H,6-8,10-11,13H2,1-3H3/p+1/t15-,16+,18-/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+/m1/s1
SMILES: C[C@]12[C@@H](C3C4=CC=CC=C4C1C5=CC=CC=C35)C(=O)N(C2=O)C6=CC=CC(=C6)C(=O)[O-]
InChI: InChI=1S/C26H19NO4/c1-26-21-18-11-4-2-9-16(18)20(17-10-3-5-12-19(17)21)22(26)23(28)27(25(26)31)15-8-6-7-14(13-15)24(29)30/h2-13,20-22H,1H3,(H,29,30)/p-1/t20?,21?,22-,26+/m0/s1
SMILES: C[C@H]1[C@H]2[C@H](N(C3=CC=CC=C23)S(=O)(=O)C4=CC=CC=C4)N([C@@]1(C(=O)OC)[Se]C5=CC=CC=C5)C(=O)OC
InChI: InChI=1S/C27H26N2O6SSe/c1-18-23-21-16-10-11-17-22(21)29(36(32,33)19-12-6-4-7-13-19)24(23)28(26(31)35-3)27(18,25(30)34-2)37-20-14-8-5-9-15-20/h4-18,23-24H,1-3H3/t18-,23+,24-,27+/m0/s1
SMILES: C1CSC2([C@@H]3[C@@H]4C[C@@H]5[C@H]3C(=O)[C@]67[C@@H]5[C@@H]4[C@@]62[C@H]8C=C[C@@H]7OO8)SC1
InChI: InChI=1S/C18H18O3S2/c19-15-11-7-6-8-12(11)18(22-4-1-5-23-18)17-10-3-2-9(20-21-10)16(15,17)13(7)14(8)17/h2-3,7-14H,1,4-6H2/t7-,8+,9+,10-,11-,12-,13+,14-,16+,17+/m1/s1
SMILES: CCOC1=C(C=CC(=C1)C(C)(C)C)C2=N[C@H]([C@H](N2C(=O)N3CCN(CC3)CC(=O)N)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl.Cl
InChI: InChI=1S/C34H39Cl2N5O3.ClH/c1-5-44-28-20-24(34(2,3)4)10-15-27(28)32-38-30(22-6-11-25(35)12-7-22)31(23-8-13-26(36)14-9-23)41(32)33(43)40-18-16-39(17-19-40)21-29(37)42;/h6-15,20,30-31H,5,16-19,21H2,1-4H3,(H2,37,42);1H/t30-,31+;/m0./s1
SMILES: CCCCCCCC(=O)O[C@H]1CCN2[C@H]1[C@H]([C@@H]([C@H](C2)O)O)O
InChI: InChI=1S/C16H29NO5/c1-2-3-4-5-6-7-13(19)22-12-8-9-17-10-11(18)15(20)16(21)14(12)17/h11-12,14-16,18,20-21H,2-10H2,1H3/t11-,12-,14+,15+,16+/m0/s1
SMILES: C[C@]12C3=NC4=CC=CC=C4C(=O)N3[C@H](C[C@]15[C@H]6NCC(=O)N6C7=CC=CC=C57)C(=O)N2
InChI: InChI=1S/C23H19N5O3/c1-22-20-25-14-8-4-2-6-12(14)19(31)28(20)16(18(30)26-22)10-23(22)13-7-3-5-9-15(13)27-17(29)11-24-21(23)27/h2-9,16,21,24H,10-11H2,1H3,(H,26,30)/t16-,21+,22+,23+/m1/s1
SMILES: C[C@H]1C[C@H]1C2=CC=C(O2)/C=N\NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4
InChI: InChI=1S/C20H23N3O5S/c1-14-11-18(14)19-6-5-16(28-19)13-21-22-20(24)15-3-2-4-17(12-15)29(25,26)23-7-9-27-10-8-23/h2-6,12-14,18H,7-11H2,1H3,(H,22,24)/b21-13-/t14-,18+/m0/s1
SMILES: C[C@@]12[C@@H]([C@H]([C@H]([C@@H](O1)CN2C(=O)OCC3=CC=CC=C3)OC)OC)OC
InChI: InChI=1S/C18H25NO6/c1-18-16(23-4)15(22-3)14(21-2)13(25-18)10-19(18)17(20)24-11-12-8-6-5-7-9-12/h5-9,13-16H,10-11H2,1-4H3/t13-,14-,15-,16+,18-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2[C@H]([C@@H](OC2=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4
InChI: InChI=1S/C23H19NO5S/c1-16-12-14-19(15-13-16)30(27,28)24-20(21(25)17-8-4-2-5-9-17)22(29-23(24)26)18-10-6-3-7-11-18/h2-15,20,22H,1H3/t20-,22-/m0/s1
SMILES: CSCC(=O)N[C@H]1CCN2[C@@H]1C(=O)NC3=C(C2=O)C=C(C=C3)C4=CC(=CC=C4)C(F)(F)F
InChI: InChI=1S/C22H20F3N3O3S/c1-32-11-18(29)26-17-7-8-28-19(17)20(30)27-16-6-5-13(10-15(16)21(28)31)12-3-2-4-14(9-12)22(23,24)25/h2-6,9-10,17,19H,7-8,11H2,1H3,(H,26,29)(H,27,30)/t17-,19-/m0/s1
SMILES: CCC1=C(C(=CC=C1)CC)NC(=O)CN[C@H]2CCC[C@H]([C@@H]2C)C
InChI: InChI=1S/C20H32N2O/c1-5-16-10-8-11-17(6-2)20(16)22-19(23)13-21-18-12-7-9-14(3)15(18)4/h8,10-11,14-15,18,21H,5-7,9,12-13H2,1-4H3,(H,22,23)/t14-,15+,18+/m1/s1
SMILES: CC1(O[C@@H]2[C@@H]([C@H](O[C@@H]2O1)COC(=O)C3=CC=CC=C3)/[N+](=C/C4=CC=C(C=C4)Cl)/[O-])C
InChI: InChI=1S/C22H22ClNO6/c1-22(2)29-19-18(24(26)12-14-8-10-16(23)11-9-14)17(28-21(19)30-22)13-27-20(25)15-6-4-3-5-7-15/h3-12,17-19,21H,13H2,1-2H3/b24-12-/t17-,18-,19-,21-/m1/s1
SMILES: C[C@@H]1C[C@H]2[C@H]3CC=C4C[C@@H](CC[C@@]4([C@@H]3CC[C@@]2([C@]1(C(=O)C)O)C)C)OP(=O)(O)O
InChI: InChI=1S/C22H35O6P/c1-13-11-19-17-6-5-15-12-16(28-29(25,26)27)7-9-20(15,3)18(17)8-10-21(19,4)22(13,24)14(2)23/h5,13,16-19,24H,6-12H2,1-4H3,(H2,25,26,27)/t13-,16-,17+,18-,19+,20+,21+,22+/m1/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OC(=O)[C@]2(C3=CC(=C(C=C3CCN2)O)O)C)C(C)C
InChI: InChI=1S/C21H31NO4/c1-12(2)15-6-5-13(3)9-19(15)26-20(25)21(4)16-11-18(24)17(23)10-14(16)7-8-22-21/h10-13,15,19,22-24H,5-9H2,1-4H3/t13-,15+,19-,21+/m0/s1
SMILES: C[C@H]([C@@H]1[C@H]2[C@H]3CCN(CC3=C(N2C1=O)C(=O)OCC=C)C(=O)C)O
InChI: InChI=1S/C17H22N2O5/c1-4-7-24-17(23)15-12-8-18(10(3)21)6-5-11(12)14-13(9(2)20)16(22)19(14)15/h4,9,11,13-14,20H,1,5-8H2,2-3H3/t9-,11+,13-,14-/m1/s1
SMILES: CC(=O)OC1=C(C=C(C=C1)N2C(=O)[C@@H]3[C@@H](C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46)[N+](=O)[O-]
InChI: InChI=1S/C26H18N2O6/c1-13(29)34-20-11-10-14(12-19(20)28(32)33)27-25(30)23-21-15-6-2-3-7-16(15)22(24(23)26(27)31)18-9-5-4-8-17(18)21/h2-12,21-24H,1H3/t21?,22?,23-,24-/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H](C4=CC(=O)CC[C@]34C)F)C
InChI: InChI=1S/C27H43FO/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(28)24-15-19(29)11-13-27(24,5)23(20)12-14-26(21,22)4/h15,17-18,20-23,25H,6-14,16H2,1-5H3/t18-,20+,21-,22+,23+,25+,26-,27-/m1/s1
SMILES: CC1([C@@H]2CC[C@]1([C@@H](C2)OC)C(=O)N3[C@@H]([C@H](NC3=O)OC)OC)C
InChI: InChI=1S/C16H26N2O5/c1-15(2)9-6-7-16(15,10(8-9)21-3)13(19)18-12(23-5)11(22-4)17-14(18)20/h9-12H,6-8H2,1-5H3,(H,17,20)/t9-,10-,11-,12-,16+/m1/s1
SMILES: C1[C@@H]2CC3C[C@H]1CC4(C2)[C@@H]3[C@]5(C6C[C@H]7C[C@@H](C6)CC5(C7)C8=CC=CC=C8)C9=CC=CC=C49
InChI: InChI=1S/C32H36/c1-2-6-25(7-3-1)31-18-22-11-23(19-31)15-26(14-22)32(31)28-9-5-4-8-27(28)30-16-20-10-21(17-30)13-24(12-20)29(30)32/h1-9,20-24,26,29H,10-19H2/t20-,21+,22-,23+,24?,26?,29-,30?,31?,32+/m1/s1
SMILES: COC[C@@H]1[C@H]([C@@H]([C@H]([C@@](O1)(C2=CC=CC=C2)OC)OC)OC)OC
InChI: InChI=1S/C17H26O6/c1-18-11-13-14(19-2)15(20-3)16(21-4)17(22-5,23-13)12-9-7-6-8-10-12/h6-10,13-16H,11H2,1-5H3/t13-,14-,15+,16-,17+/m1/s1
SMILES: CC[C@H](C)[C@@H](C(=O)N1CC[C@@H]([C@H]1C(=O)O)C(=O)O)NC(=O)[C@H]([C@@H](CCS(=O)(=O)O)[NH3+])S.C(=O)(C(F)(F)F)[O-]
InChI: InChI=1S/C17H29N3O9S2.C2HF3O2/c1-3-8(2)11(19-14(21)13(30)10(18)5-7-31(27,28)29)15(22)20-6-4-9(16(23)24)12(20)17(25)26;3-2(4,5)1(6)7/h8-13,30H,3-7,18H2,1-2H3,(H,19,21)(H,23,24)(H,25,26)(H,27,28,29);(H,6,7)/t8-,9-,10+,11-,12-,13-;/m0./s1
SMILES: CC[Si](CC)(CC)O[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O[Si](CC)(CC)CC)O[Si](CC)(CC)CC)OC)CI
InChI: InChI=1S/C25H55IO5Si3/c1-11-32(12-2,13-3)29-22-21(20-26)28-25(27-10)24(31-34(17-7,18-8)19-9)23(22)30-33(14-4,15-5)16-6/h21-25H,11-20H2,1-10H3/t21-,22-,23+,24-,25+/m1/s1
SMILES: C[C@H]1C[C@H]2[C@@H]([C@H]([C@@]3([C@@H]1C=CO3)C)OC(=O)C(C)C)C(=C)OO2
InChI: InChI=1S/C17H24O5/c1-9(2)16(18)20-15-14-11(4)21-22-13(14)8-10(3)12-6-7-19-17(12,15)5/h6-7,9-10,12-15H,4,8H2,1-3,5H3/t10-,12+,13-,14-,15+,17-/m0/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)CO[C@H]3[C@H](O[C@H]4[C@@H]3OC(O4)(C)C)C#[N+][O-])OCC=C)C
InChI: InChI=1S/C19H27NO9/c1-6-7-22-13-11(25-17-15(13)27-19(4,5)29-17)9-23-12-10(8-20-21)24-16-14(12)26-18(2,3)28-16/h6,10-17H,1,7,9H2,2-5H3/t10-,11-,12+,13+,14-,15-,16-,17-/m1/s1
SMILES: CC(C)CCCC(C)[C@H]1CC[C@@H]2[C@@]1(CCC3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)O)C)C
InChI: InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-23,25,28H,6-15H2,1-5H3/t18?,20-,21+,22-,23?,25-,26-,27+/m0/s1
SMILES: CCCCC(=O)[C@]12CC[C@H](C=C1C(=O)O)[C@H]3[C@@H]2C4=C(CC3)/C(=C/CCC)/OC4=O
InChI: InChI=1S/C24H30O5/c1-3-5-7-18-16-10-9-15-14-11-12-24(17(13-14)22(26)27,19(25)8-6-4-2)21(15)20(16)23(28)29-18/h7,13-15,21H,3-6,8-12H2,1-2H3,(H,26,27)/b18-7-/t14-,15+,21-,24+/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)C2=CC=C(C=C2)C(F)(F)F
InChI: InChI=1S/C18H22F3NO3/c1-11-4-3-5-15(12(11)2)22-16(23)10-25-17(24)13-6-8-14(9-7-13)18(19,20)21/h6-9,11-12,15H,3-5,10H2,1-2H3,(H,22,23)/t11-,12-,15+/m1/s1
SMILES: CC(C)[C@H](C(=O)OCC(=O)C1=CC=C(C=C1)[N+](=O)[O-])N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@@H]3C2=O)C=C4
InChI: InChI=1S/C22H22N2O7/c1-11(2)19(23-20(26)17-13-3-4-14(9-13)18(17)21(23)27)22(28)31-10-16(25)12-5-7-15(8-6-12)24(29)30/h3-8,11,13-14,17-19H,9-10H2,1-2H3/t13-,14+,17+,18-,19-/m1/s1
SMILES: C[C@]12CCCC(=C)[C@H]1C[C@H]3[C@@H](C2)OC(=O)[C@H]3C[NH2+]CC(OC)OC
InChI: InChI=1S/C19H31NO4/c1-12-6-5-7-19(2)9-16-13(8-15(12)19)14(18(21)24-16)10-20-11-17(22-3)23-4/h13-17,20H,1,5-11H2,2-4H3/p+1/t13-,14+,15-,16-,19-/m1/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)NC3=CC=C(C=C3)C
InChI: InChI=1S/C18H23N3O3/c1-12-6-8-14(9-7-12)19-15(22)11-21-16(23)18(20-17(21)24)10-4-3-5-13(18)2/h6-9,13H,3-5,10-11H2,1-2H3,(H,19,22)(H,20,24)/t13-,18+/m0/s1
SMILES: C[C@@H]1C/C=C/C=C/C(=O)[C@@H](C[C@@H]2CC(O[C@@H]2[C@H]([C@@H](CC(=O)O1)OC(=O)C)OC)O)C
InChI: InChI=1S/C22H32O8/c1-13-10-16-11-19(25)30-21(16)22(27-4)18(29-15(3)23)12-20(26)28-14(2)8-6-5-7-9-17(13)24/h5-7,9,13-14,16,18-19,21-22,25H,8,10-12H2,1-4H3/b6-5+,9-7+/t13-,14-,16-,18-,19?,21+,22+/m1/s1
SMILES: CCOC1=C(C=C(C=C1)[C@H]2C([C@]3([C@H]4CCCC[C@]4(O2)OC3=N)C#N)(C#N)C#N)OC
InChI: InChI=1S/C22H22N4O4/c1-3-28-15-8-7-14(10-16(15)27-2)18-20(11-23,12-24)21(13-25)17-6-4-5-9-22(17,29-18)30-19(21)26/h7-8,10,17-18,26H,3-6,9H2,1-2H3/t17-,18+,21+,22+/m1/s1
SMILES: [2H]C([2H])([C@@H]1[C@@H]2[C@H]([C@@H](O1)N3C=CC(NC3=O)NC(=O)C4=CC=CC=C4)OC(O2)(C)C)O
InChI: InChI=1S/C19H23N3O6/c1-19(2)27-14-12(10-23)26-17(15(14)28-19)22-9-8-13(21-18(22)25)20-16(24)11-6-4-3-5-7-11/h3-9,12-15,17,23H,10H2,1-2H3,(H,20,24)(H,21,25)/t12-,13?,14-,15-,17-/m1/s1/i10D2
SMILES: CCOC(=O)[C@]12[C@@H]3CCCO[C@H]3[C@]1(NC(=O)C2=O)C4=CC=CC=C4
InChI: InChI=1S/C18H19NO5/c1-2-23-16(22)17-12-9-6-10-24-14(12)18(17,19-15(21)13(17)20)11-7-4-3-5-8-11/h3-5,7-8,12,14H,2,6,9-10H2,1H3,(H,19,21)/t12-,14-,17-,18-/m1/s1
SMILES: CCCNC1=C(C(=O)C2=C(C1=O)[C@H]([C@]3(N2C[C@@H]4[C@H]3N4C)O)COC(=O)N)C
InChI: InChI=1S/C18H24N4O5/c1-4-5-20-12-8(2)14(23)13-11(15(12)24)9(7-27-17(19)25)18(26)16-10(21(16)3)6-22(13)18/h9-10,16,20,26H,4-7H2,1-3H3,(H2,19,25)/t9-,10-,16-,18+,21?/m1/s1
SMILES: CCCCCSC1=NC(=C2C(=N1)N(C=N2)C3[C@@H]([C@@H]([C@H](O3)C(=O)NCC)O)O)N
InChI: InChI=1S/C17H26N6O4S/c1-3-5-6-7-28-17-21-13(18)9-14(22-17)23(8-20-9)16-11(25)10(24)12(27-16)15(26)19-4-2/h8,10-12,16,24-25H,3-7H2,1-2H3,(H,19,26)(H2,18,21,22)/t10-,11+,12-,16?/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]
InChI: InChI=1S/C20H27N3O6/c1-14-4-2-3-5-16(14)21-19(24)13-29-20(25)15-6-7-17(18(12-15)23(26)27)22-8-10-28-11-9-22/h6-7,12,14,16H,2-5,8-11,13H2,1H3,(H,21,24)/t14-,16+/m0/s1
SMILES: CCCCC[C@H](/C=C/[C@H]1[C@H]2C[C@@]([C@@H]1C/C=C\CCCC(=O)OC)(CO2)C)O
InChI: InChI=1S/C23H38O4/c1-4-5-8-11-18(24)14-15-19-20(23(2)16-21(19)27-17-23)12-9-6-7-10-13-22(25)26-3/h6,9,14-15,18-21,24H,4-5,7-8,10-13,16-17H2,1-3H3/b9-6-,15-14+/t18-,19-,20-,21-,23-/m1/s1
SMILES: COC(=O)C1=CC=CC=C1NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-]
InChI: InChI=1S/C16H17NO5/c1-22-16(21)12-8-4-5-9-13(12)17-14(18)10-6-2-3-7-11(10)15(19)20/h2-5,8-11H,6-7H2,1H3,(H,17,18)(H,19,20)/p-1/t10-,11-/m0/s1
SMILES: C[C@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@@H]2[C@H](OC(=O)[C@@H]([C@H]2O)O)CO
InChI: InChI=1S/C13H22O11/c1-13(11(20)8(18)6(16)4(2-14)23-13)24-10-5(3-15)22-12(21)9(19)7(10)17/h4-11,14-20H,2-3H2,1H3/t4-,5-,6-,7-,8+,9-,10-,11-,13-/m1/s1
SMILES: COC1=CC=C(C=C1)C[C@@H]2[C@H]([C@H]3C[C@@]4(N2C[C@@H](C4)NC(=O)OC)CC[C@@H]3OCC5=CC=CC=C5)OCC6=CC=CC=C6
InChI: InChI=1S/C35H42N2O5/c1-39-29-15-13-25(14-16-29)19-31-33(42-24-27-11-7-4-8-12-27)30-21-35(20-28(22-37(31)35)36-34(38)40-2)18-17-32(30)41-23-26-9-5-3-6-10-26/h3-16,28,30-33H,17-24H2,1-2H3,(H,36,38)/t28-,30+,31-,32+,33+,35-/m1/s1
SMILES: CC(C)C[C@@H]1[C@H](CCCOC(=O)N(CCCC[C@H](NC1=O)C(=O)OC)C)C(=O)OC(C)(C)C
InChI: InChI=1S/C24H42N2O7/c1-16(2)15-18-17(21(28)33-24(3,4)5)11-10-14-32-23(30)26(6)13-9-8-12-19(22(29)31-7)25-20(18)27/h16-19H,8-15H2,1-7H3,(H,25,27)/t17-,18+,19-/m0/s1
SMILES: C[C@H]1C=C([C@H]2[C@H](O2)[C@@H]([C@@H]1O)C)S(=O)(=O)C3=CC=CC=C3
InChI: InChI=1S/C15H18O4S/c1-9-8-12(15-14(19-15)10(2)13(9)16)20(17,18)11-6-4-3-5-7-11/h3-10,13-16H,1-2H3/t9-,10+,13+,14+,15-/m0/s1
SMILES: C[C@@H](CN(CCOC)CCOC)[C@H]1CC=C2[C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C
InChI: InChI=1S/C30H51NO3/c1-21(20-31(16-18-33-6)17-19-34-7)23-9-10-24-22-8-11-26-28(2,3)27(32)13-15-30(26,5)25(22)12-14-29(23,24)4/h10,21,23,26-27,32H,8-9,11-20H2,1-7H3/t21-,23+,26-,27-,29+,30+/m0/s1
SMILES: CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@](C31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5C6=O)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)C[C@@H](C8=O)C
InChI: InChI=1S/C36H46N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(39)13-18(2)30(38)41)12-11-24(46-4)35-21-14-20-23(45-3)15-34(43,26(21)27(20)40)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26,28-29,32,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24-,26+,28+,29-,32?,33-,34+,35-,36+/m0/s1
SMILES: C1CN(CCN1[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3O[N+](=O)[O-])C4=NC5=CC=CC=C5S4.Cl
InChI: InChI=1S/C17H20N4O5S.ClH/c22-21(23)26-13-10-25-15-12(9-24-16(13)15)19-5-7-20(8-6-19)17-18-11-3-1-2-4-14(11)27-17;/h1-4,12-13,15-16H,5-10H2;1H/t12-,13-,15+,16+;/m0./s1
SMILES: CC1=C2CC[C@H]3[C@@]4(C[C@H]([C@@H]([C@]4(CC(=O)[C@]3(C2=CC(=C1O)OC5C(C(C(C(O5)CO)O)O)O)C)C)[C@](C)(C(=O)CCC(C)(C)OC(=O)C)O)O)C
InChI: InChI=1S/C37H54O13/c1-17-19-9-10-24-34(5)14-21(40)31(37(8,47)25(41)11-12-33(3,4)50-18(2)39)35(34,6)15-26(42)36(24,7)20(19)13-22(27(17)43)48-32-30(46)29(45)28(44)23(16-38)49-32/h13,21,23-24,28-32,38,40,43-47H,9-12,14-16H2,1-8H3/t21-,23?,24+,28?,29?,30?,31+,32?,34+,35-,36+,37+/m1/s1
SMILES: C[C@H](C(=O)C1=CNC2=CC=CC=C21)OC(=O)CCN3C(=O)[C@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C22H22N2O5/c1-13(20(26)17-12-23-18-9-5-4-6-14(17)18)29-19(25)10-11-24-21(27)15-7-2-3-8-16(15)22(24)28/h2-6,9,12-13,15-16,23H,7-8,10-11H2,1H3/t13-,15+,16+/m1/s1
SMILES: CCC1[C@H]2CC(=O)N([C@@H]1C3=C([C@@H]2C(=O)OC)N(C4=CC=CC=C43)C)[C@@H](CO)C5=CC=CC=C5
InChI: InChI=1S/C27H30N2O4/c1-4-17-19-14-22(31)29(21(15-30)16-10-6-5-7-11-16)25(17)23-18-12-8-9-13-20(18)28(2)26(23)24(19)27(32)33-3/h5-13,17,19,21,24-25,30H,4,14-15H2,1-3H3/t17?,19-,21+,24-,25+/m1/s1
SMILES: CCCCCCCC(=O)N[C@H]1C[C@H]1CO[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)OCC2=CC=CC=C2)C(=O)N
InChI: InChI=1S/C30H46N4O7/c1-4-5-6-7-11-14-26(35)33-25-17-23(25)19-40-21(3)30(39)32-20(2)29(38)34-24(28(31)37)15-16-27(36)41-18-22-12-9-8-10-13-22/h8-10,12-13,20-21,23-25H,4-7,11,14-19H2,1-3H3,(H2,31,37)(H,32,39)(H,33,35)(H,34,38)/t20-,21+,23-,24+,25-/m0/s1
SMILES: C1CCN2[C@@H]3CCNC[C@@H]3C4=CC(=CC(=C42)C1)C5=C(C(=CC=C5)Cl)Cl
InChI: InChI=1S/C21H22Cl2N2/c22-18-6-3-5-15(20(18)23)14-10-13-4-1-2-9-25-19-7-8-24-12-17(19)16(11-14)21(13)25/h3,5-6,10-11,17,19,24H,1-2,4,7-9,12H2/t17-,19-/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2C=C(N=N[C@@H]2C3=CC=CC=C3)C4=C(C5=CC=CC=C5C4=O)O
InChI: InChI=1S/C25H18N2O2/c28-24-18-13-7-8-14-19(18)25(29)22(24)21-15-20(16-9-3-1-4-10-16)23(27-26-21)17-11-5-2-6-12-17/h1-15,20,23,28H/t20-,23+/m0/s1
SMILES: C=C[C@]1(CN2CC[C@@]34[C@@H]2C[C@@H]1C5=CCC(=O)N([C@@H]53)C6=CC=CC=C46)O
InChI: InChI=1S/C21H22N2O2/c1-2-20(25)12-22-10-9-21-14-5-3-4-6-16(14)23-18(24)8-7-13(19(21)23)15(20)11-17(21)22/h2-7,15,17,19,25H,1,8-12H2/t15-,17+,19+,20-,21-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1CCCO[C@H]1COS(=O)(=O)C(F)(F)F
InChI: InChI=1S/C13H25F3O5SSi/c1-12(2,3)23(4,5)21-10-7-6-8-19-11(10)9-20-22(17,18)13(14,15)16/h10-11H,6-9H2,1-5H3/t10-,11+/m1/s1
SMILES: CS(=O)(=O)NC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](CCC2=CC=C(S2)Br)O)O)O
InChI: InChI=1S/C22H32BrNO6S2/c1-32(29,30)24-22(28)7-5-3-2-4-6-17-18(20(27)14-19(17)26)12-9-15(25)8-10-16-11-13-21(23)31-16/h2,4,9,11-13,15,17-20,25-27H,3,5-8,10,14H2,1H3,(H,24,28)/b4-2-,12-9+/t15-,17+,18+,19-,20+/m0/s1
SMILES: C1CC[C@H]2CN(CC[C@H]2C1)C(=O)NC3=NC4=C(S3)C=C(C=C4)F
InChI: InChI=1S/C17H20FN3OS/c18-13-5-6-14-15(9-13)23-16(19-14)20-17(22)21-8-7-11-3-1-2-4-12(11)10-21/h5-6,9,11-12H,1-4,7-8,10H2,(H,19,20,22)/t11-,12+/m1/s1
SMILES: CC1CCC2(CC1)[C@]3([C@@]2(C([NH+]=C3N)(OC)OC)C#N)C#N
InChI: InChI=1S/C15H20N4O2/c1-10-4-6-12(7-5-10)13(8-16)11(18)19-15(20-2,21-3)14(12,13)9-17/h10H,4-7H2,1-3H3,(H2,18,19)/p+1/t10?,12?,13-,14+/m0/s1
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C(=O)O)C=C3
InChI: InChI=1S/C17H19NO3/c1-10(11-5-3-2-4-6-11)18-16(19)14-12-7-8-13(9-12)15(14)17(20)21/h2-8,10,12-15H,9H2,1H3,(H,18,19)(H,20,21)/t10-,12+,13-,14-,15+/m1/s1
SMILES: C[C@@H]1CC[C@H]2[C@H](/C(=C\C3=CC=CC=C3)/O[C@H]4[C@@]25[C@H]1CC[C@@](O4)(OO5)C)C
InChI: InChI=1S/C22H28O4/c1-14-9-10-18-15(2)19(13-16-7-5-4-6-8-16)23-20-22(18)17(14)11-12-21(3,24-20)25-26-22/h4-8,13-15,17-18,20H,9-12H2,1-3H3/b19-13+/t14-,15-,17+,18+,20-,21+,22-/m1/s1
SMILES: C1=C(N=C([Se]1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(CP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)O)C(=O)N
InChI: InChI=1S/C20H27N7O13P2Se/c21-16-10-18(24-4-23-16)27(5-25-10)20-14(31)12(29)9(40-20)2-38-42(35,36)6-41(33,34)37-1-8-11(28)13(30)15(39-8)19-26-7(3-43-19)17(22)32/h3-5,8-9,11-15,20,28-31H,1-2,6H2,(H2,22,32)(H,33,34)(H,35,36)(H2,21,23,24)/t8-,9-,11-,12-,13-,14-,15-,20-/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC=C4CNS(=O)(=O)C5=CC=CC=C5)CN6CCC(CC6)N7C8=CC=CC=C8NC7=O
InChI: InChI=1S/C44H46N4O6S/c1-30-41(28-47-25-23-36(24-26-47)48-40-14-8-7-13-39(40)46-44(48)50)53-43(54-42(30)33-17-15-31(29-49)16-18-33)34-21-19-32(20-22-34)38-12-6-5-9-35(38)27-45-55(51,52)37-10-3-2-4-11-37/h2-22,30,36,41-43,45,49H,23-29H2,1H3,(H,46,50)/t30-,41+,42+,43+/m0/s1
SMILES: CC(C)(C)C(=O)OCC1=C[C@H]([C@H]2[C@@]1([C@@H]2C(=O)OC)NC(=O)OCC[Si](C)(C)C)OC(=O)C(C)(C)C
InChI: InChI=1S/C25H41NO8Si/c1-23(2,3)20(28)33-14-15-13-16(34-21(29)24(4,5)6)17-18(19(27)31-7)25(15,17)26-22(30)32-11-12-35(8,9)10/h13,16-18H,11-12,14H2,1-10H3,(H,26,30)/t16-,17-,18+,25+/m1/s1