EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(C)CNC[C@@H]1C2CCC(=C)[C@@]2(CCC1[C@]3(CC[C@@H](C[C@@H]3CO)O)C)C
InChI: InChI=1S/C24H43NO2/c1-16(2)13-25-14-20-21-7-6-17(3)23(21,4)11-9-22(20)24(5)10-8-19(27)12-18(24)15-26/h16,18-22,25-27H,3,6-15H2,1-2,4-5H3/t18-,19+,20-,21?,22?,23+,24+/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)[C@@H]3[C@H](C4=C2C5=CC=CC=C5N4C6=CC=CC=C6)C(=O)N(C3=O)C7=CC=CC=C7
InChI: InChI=1S/C30H26N2O2/c33-29-26-22-16-8-7-15-21(22)25-23-17-9-10-18-24(23)31(19-11-3-1-4-12-19)28(25)27(26)30(34)32(29)20-13-5-2-6-14-20/h1-6,9-14,17-18,21-22,26-27H,7-8,15-16H2/t21-,22+,26+,27+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)N2C(=O)C3=CC=CC=C3N=C2SCC(=C)Cl
InChI: InChI=1S/C19H23ClN2OS/c1-12-7-6-10-17(14(12)3)22-18(23)15-8-4-5-9-16(15)21-19(22)24-11-13(2)20/h4-5,8-9,12,14,17H,2,6-7,10-11H2,1,3H3/t12-,14-,17+/m1/s1
SMILES: C[C@H]1[C@H](O[C@@H](N1)C2=CC=C(C=C2)N3N=C4C=CC=CC4=N3)C5=CC=CC=C5
InChI: InChI=1S/C22H20N4O/c1-15-21(16-7-3-2-4-8-16)27-22(23-15)17-11-13-18(14-12-17)26-24-19-9-5-6-10-20(19)25-26/h2-15,21-23H,1H3/t15-,21-,22+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O[P@]3(=O)OCCC4=CN([C@H]5C[C@@H]([C@H](O5)CO3)O)C(=O)NC4=O
InChI: InChI=1S/C21H27N4O12P/c1-10-6-24(20(30)22-18(10)28)17-5-13(14(8-26)35-17)37-38(32)33-3-2-11-7-25(21(31)23-19(11)29)16-4-12(27)15(36-16)9-34-38/h6-7,12-17,26-27H,2-5,8-9H2,1H3,(H,22,28,30)(H,23,29,31)/t12-,13-,14+,15+,16+,17+,38+/m0/s1
SMILES: CC(=O)OCC(=O)[C@]1(C(=C)C[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=CC(=O)C=C[C@@]43C)C)O
InChI: InChI=1S/C24H28O5/c1-14-11-20-18-6-5-16-12-17(26)7-9-22(16,3)19(18)8-10-23(20,4)24(14,28)21(27)13-29-15(2)25/h7-9,12,18,20,28H,1,5-6,10-11,13H2,2-4H3/t18-,20+,22+,23+,24+/m1/s1
SMILES: CC(C)C(=C)CC[C@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CC=C3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)OC(=O)C)C(=O)O
InChI: InChI=1S/C33H48O5/c1-19(2)20(3)10-11-22(29(36)37)28-25(38-21(4)34)18-33(9)24-12-13-26-30(5,6)27(35)15-16-31(26,7)23(24)14-17-32(28,33)8/h12,14,19,22,25-26,28H,3,10-11,13,15-18H2,1-2,4-9H3,(H,36,37)/t22-,25-,26+,28+,31-,32-,33+/m1/s1
SMILES: C[C@@H]1CC(=CC[C@@H]1[C@@H]2OC[C@@H](O2)CCl)CCC=C(C)C
InChI: InChI=1S/C17H27ClO2/c1-12(2)5-4-6-14-7-8-16(13(3)9-14)17-19-11-15(10-18)20-17/h5,7,13,15-17H,4,6,8-11H2,1-3H3/t13-,15+,16+,17-/m1/s1
SMILES: B1(O[C@@H]2C3CC(C3(C)C)C[C@@]2(O1)C)[C@H](CC(F)F)NC(=O)[C@@H]4C[C@@](C5=NC=C(C(=O)N45)NCC6=CC(=CC=C6)C(F)(F)F)(C)NC(=O)NC7=CC=CC=C7OCC
InChI: InChI=1S/C39H46BF5N6O6/c1-6-55-28-13-8-7-12-25(28)48-35(54)50-37(4)18-27(51-33(53)26(20-47-34(37)51)46-19-21-10-9-11-22(14-21)39(43,44)45)32(52)49-29(16-30(41)42)40-56-31-24-15-23(36(24,2)3)17-38(31,5)57-40/h7-14,20,23-24,27,29-31,46H,6,15-19H2,1-5H3,(H,49,52)(H2,48,50,54)/t23?,24?,27-,29-,31+,37+,38-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)C4=CC=NC=C4)CCC5=CC(=O)CC[C@]35C
InChI: InChI=1S/C25H31NO3/c1-24-11-7-18(27)15-17(24)3-4-19-20-5-6-22(25(20,2)12-8-21(19)24)29-23(28)16-9-13-26-14-10-16/h9-10,13-15,19-22H,3-8,11-12H2,1-2H3/t19-,20-,21-,22-,24-,25-/m0/s1
SMILES: CC[C@H]1C[N+]2(CC[C@H]1C[C@@H]2[C@H](C3=C4C=C(C=CC4=NC=C3)OC)OC(=O)C)F
InChI: InChI=1S/C22H28FN2O3/c1-4-15-13-25(23)10-8-16(15)11-21(25)22(28-14(2)26)18-7-9-24-20-6-5-17(27-3)12-19(18)20/h5-7,9,12,15-16,21-22H,4,8,10-11,13H2,1-3H3/q+1/t15-,16-,21+,22-,25?/m0/s1
SMILES: C1=NC(=S)C2=C(N1)N(C=N2)[C@@H]3[C@H]([C@H]([C@@H](O3)CO)O)O
InChI: InChI=1S/C10H12N4O4S/c15-1-4-6(16)7(17)10(18-4)14-3-13-5-8(14)11-2-12-9(5)19/h2-4,6-7,10,15-17H,1H2,(H,11,12,19)/t4-,6-,7-,10-/m0/s1
SMILES: C=C[C@H]1CC[C@@H](C([C@@H]1C2=CC=C(C=C2)Br)(C#N)C#N)C=C
InChI: InChI=1S/C18H17BrN2/c1-3-13-5-8-15(4-2)18(11-20,12-21)17(13)14-6-9-16(19)10-7-14/h3-4,6-7,9-10,13,15,17H,1-2,5,8H2/t13-,15-,17-/m0/s1
SMILES: CC(C)[C@H]1CCC(=C)[C@H]2[C@@H]1[C@@H]3[C@]4(CC[C@H](O4)[C@@](C[C@H]2O3)(C)O)C
InChI: InChI=1S/C20H32O3/c1-11(2)13-7-6-12(3)16-14-10-19(4,21)15-8-9-20(5,23-15)18(22-14)17(13)16/h11,13-18,21H,3,6-10H2,1-2,4-5H3/t13-,14-,15+,16-,17-,18-,19+,20-/m1/s1
SMILES: C1=C(C2=C(N=CN=C2N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)I)N)C#N
InChI: InChI=1S/C12H12IN5O3/c13-8-9(20)6(3-19)21-12(8)18-2-5(1-14)7-10(15)16-4-17-11(7)18/h2,4,6,8-9,12,19-20H,3H2,(H2,15,16,17)/t6-,8+,9-,12-/m1/s1
SMILES: C1CCCN(CC1)C(=O)C2=CC3=C(C=C2)N[C@@H]([C@H]4[C@H]3C=CC4)C5=CC(=CC=C5)[N+](=O)[O-]
InChI: InChI=1S/C25H27N3O3/c29-25(27-13-3-1-2-4-14-27)18-11-12-23-22(16-18)20-9-6-10-21(20)24(26-23)17-7-5-8-19(15-17)28(30)31/h5-9,11-12,15-16,20-21,24,26H,1-4,10,13-14H2/t20-,21-,24-/m1/s1
SMILES: CN(C)C(=O)C=CC1=CC=CC=C1C(=O)O[C@@H]2CC(=C[C@@H]3[C@H]2OC(O3)(C4CC4)C5CC5)C(=O)NCCC(=O)NCCO
InChI: InChI=1S/C31H39N3O8/c1-34(2)27(37)12-7-19-5-3-4-6-23(19)30(39)40-24-17-20(29(38)33-14-13-26(36)32-15-16-35)18-25-28(24)42-31(41-25,21-8-9-21)22-10-11-22/h3-7,12,18,21-22,24-25,28,35H,8-11,13-17H2,1-2H3,(H,32,36)(H,33,38)/t24-,25-,28+/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5)CN6C=NC7=CC=CC=C76
InChI: InChI=1S/C39H36N4O5/c1-26-36(23-43-25-40-34-12-5-6-13-35(34)43)47-38(48-37(26)28-16-14-27(24-44)15-17-28)29-8-7-9-31(22-29)42-39(45)41-30-18-20-33(21-19-30)46-32-10-3-2-4-11-32/h2-22,25-26,36-38,44H,23-24H2,1H3,(H2,41,42,45)/t26-,36+,37+,38+/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(=C4)CNC(=O)NC5=CC=C(C=C5)OC6=CC=CC=C6)CN(CC7=CC=CC=C7)CC8=CC=CC=C8
InChI: InChI=1S/C53H51N3O5/c1-38-50(36-56(34-39-12-5-2-6-13-39)35-40-14-7-3-8-15-40)60-52(61-51(38)44-22-20-41(37-57)21-23-44)45-26-24-43(25-27-45)46-17-11-16-42(32-46)33-54-53(58)55-47-28-30-49(31-29-47)59-48-18-9-4-10-19-48/h2-32,38,50-52,57H,33-37H2,1H3,(H2,54,55,58)/t38-,50+,51+,52+/m0/s1
SMILES: C/C(=C\C(=O)OC)/CC[C@@H]1C(=C)CC[C@H]2[C@]1(CC[C@H]3[C@@]2(C3)C)C
InChI: InChI=1S/C21H32O2/c1-14(12-19(22)23-5)6-8-17-15(2)7-9-18-20(17,3)11-10-16-13-21(16,18)4/h12,16-18H,2,6-11,13H2,1,3-5H3/b14-12+/t16-,17-,18+,20+,21+/m1/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H]2C[C@H]([C@@H]1C/C=C\CCCC(=O)O)OC(=O)O2)OC(=O)C(C)(C)C
InChI: InChI=1S/C26H40O7/c1-5-6-9-12-18(31-24(29)26(2,3)4)15-16-20-19(13-10-7-8-11-14-23(27)28)21-17-22(20)33-25(30)32-21/h7,10,15-16,18-22H,5-6,8-9,11-14,17H2,1-4H3,(H,27,28)/b10-7-,16-15+/t18-,19+,20+,21+,22-/m0/s1
SMILES: C[C@@H]1CC[C@H]2[C@]3([C@H]1[C@@H]([C@@H](C(C3=C(C(=O)O2)C)C)O)O)C
InChI: InChI=1S/C16H24O4/c1-7-5-6-10-16(4)11(7)14(18)13(17)8(2)12(16)9(3)15(19)20-10/h7-8,10-11,13-14,17-18H,5-6H2,1-4H3/t7-,8?,10+,11-,13-,14+,16+/m1/s1
SMILES: CC(C)OC1=CC=C(C=C1)/C=C\2/C(=O)N3[C@@H]4[C@@H]([C@](N=C3S2)(OC5=CC=CC=C45)C)C(=O)OC
InChI: InChI=1S/C25H24N2O5S/c1-14(2)31-16-11-9-15(10-12-16)13-19-22(28)27-21-17-7-5-6-8-18(17)32-25(3,26-24(27)33-19)20(21)23(29)30-4/h5-14,20-21H,1-4H3/b19-13-/t20-,21+,25-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)C2=CNC3=CC=CC=C32
InChI: InChI=1S/C19H23N3O4/c1-12-6-2-4-8-15(12)21-19(25)22-17(23)11-26-18(24)14-10-20-16-9-5-3-7-13(14)16/h3,5,7,9-10,12,15,20H,2,4,6,8,11H2,1H3,(H2,21,22,23,25)/t12-,15-/m1/s1
SMILES: CC1=C2[C@H](C([C@@]3([C@H](CC(C(=C)C3CC(C2(C)C)CC1=O)OC(=O)[C@@H](C(C4=CC=CC=C4)N(C)C)O)OC(=O)C)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C37H49NO10/c1-19-26-16-25-17-27(42)20(2)30(36(25,6)7)33(46-22(4)40)34(47-23(5)41)37(26,8)29(45-21(3)39)18-28(19)48-35(44)32(43)31(38(9)10)24-14-12-11-13-15-24/h11-15,25-26,28-29,31-34,43H,1,16-18H2,2-10H3/t25?,26?,28?,29-,31?,32+,33+,34?,37-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]2[C@@H](CSS2)O[C@@H]1OCC=C)O
InChI: InChI=1S/C11H17NO4S2/c1-3-4-15-11-8(12-6(2)13)9(14)10-7(16-11)5-17-18-10/h3,7-11,14H,1,4-5H2,2H3,(H,12,13)/t7-,8-,9-,10+,11+/m1/s1
SMILES: CC1(CC(=O)[C@@H]2[C@](C1)(N3C(=NC(=N3)C4=CC=CC=C4)S2)O)C
InChI: InChI=1S/C16H17N3O2S/c1-15(2)8-11(20)12-16(21,9-15)19-14(22-12)17-13(18-19)10-6-4-3-5-7-10/h3-7,12,21H,8-9H2,1-2H3/t12-,16-/m1/s1
SMILES: CC(C)[C@@H]1CCN[C@H]1C(=O)N2CCC[C@H]2C(=O)NCC3=C(C=CC(=C3)Cl)CC(C(F)(F)F)N
InChI: InChI=1S/C23H32ClF3N4O2/c1-13(2)17-7-8-29-20(17)22(33)31-9-3-4-18(31)21(32)30-12-15-10-16(24)6-5-14(15)11-19(28)23(25,26)27/h5-6,10,13,17-20,29H,3-4,7-9,11-12,28H2,1-2H3,(H,30,32)/t17-,18-,19?,20+/m0/s1
SMILES: CCCCCCCCCCCOP(=O)(OC1[C@H]2[C@H](C([C@@H]3[C@H]1OC(O3)(C)C)O)OC(O2)(C)C)OC4=CC=CC=C4
InChI: InChI=1S/C29H47O9P/c1-6-7-8-9-10-11-12-13-17-20-32-39(31,37-21-18-15-14-16-19-21)38-27-25-23(33-28(2,3)35-25)22(30)24-26(27)36-29(4,5)34-24/h14-16,18-19,22-27,30H,6-13,17,20H2,1-5H3/t22?,23-,24+,25-,26-,27?,39?/m1/s1
SMILES: C[C@]12CC[C@@H](C=C1CCC3C2CC[C@]4(C3CC[C@]4(C#C)O)C)O
InChI: InChI=1S/C21H30O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,15-18,22-23H,5-12H2,2-3H3/t15-,16?,17?,18?,19-,20-,21-/m0/s1
SMILES: C1=C[C@H]2[C@@H]1[C@H]3C=C[C@@H]2[C@H]4[C@@H]3C(OC4O)O
InChI: InChI=1S/C12H14O3/c13-11-9-7-3-4-8(6-2-1-5(6)7)10(9)12(14)15-11/h1-14H/t5-,6+,7-,8+,9-,10+,11?,12?
SMILES: COC1=CC=CC(=C1)C(=O)NN[C@H]2[C@@H]([C@@H]([C@@H](O2)CO)O)O
InChI: InChI=1S/C13H18N2O6/c1-20-8-4-2-3-7(5-8)12(19)14-15-13-11(18)10(17)9(6-16)21-13/h2-5,9-11,13,15-18H,6H2,1H3,(H,14,19)/t9-,10+,11+,13+/m0/s1
SMILES: CC[C@]1(C[C@@H](C2=C([C@H]1OC(=O)C)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)NC(=O)C(F)(F)F)Cl)O
InChI: InChI=1S/C30H29ClF3NO11/c1-4-29(43)9-15(46-16-8-13(31)22(10(2)44-16)35-28(42)30(32,33)34)18-21(27(29)45-11(3)36)26(41)19-20(25(18)40)24(39)17-12(23(19)38)6-5-7-14(17)37/h5-7,10,13,15-16,22,27,37,40-41,43H,4,8-9H2,1-3H3,(H,35,42)/t10-,13-,15-,16-,22+,27+,29+/m0/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5C(=CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O)C(=O)O
InChI: InChI=1S/C21H23NO5/c23-14-4-3-12-9-15-21(26)6-5-13(19(24)25)18-20(21,16(12)17(14)27-18)7-8-22(15)10-11-1-2-11/h3-5,11,15,18,23,26H,1-2,6-10H2,(H,24,25)/t15-,18+,20+,21-/m1/s1
SMILES: C[C@@]12CC[C@@H]3[C@@H]([C@H]1CC[C@@]2(C#C)O)CCC4=C3C=CC(=C4)OC
InChI: InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m0/s1
SMILES: C[C@@H]1[C@H](OC(O1)(C)C)[C@H]2C[C@H](OC(O2)(C)C)C3=COC(=N3)[C@H](C4=CN=CO4)O
InChI: InChI=1S/C19H26N2O7/c1-10-16(28-18(2,3)25-10)13-6-12(26-19(4,5)27-13)11-8-23-17(21-11)15(22)14-7-20-9-24-14/h7-10,12-13,15-16,22H,6H2,1-5H3/t10-,12+,13-,15+,16+/m1/s1
SMILES: C[C@H]1C2C(C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC(=O)[C@@]5([C@@]4(CC[C@@H](C5)OC(=O)C)C)O)C)OC1=O
InChI: InChI=1S/C24H34O6/c1-12-20-18(30-21(12)27)10-17-15-9-19(26)24(28)11-14(29-13(2)25)5-8-23(24,4)16(15)6-7-22(17,20)3/h12,14-18,20,28H,5-11H2,1-4H3/t12-,14-,15+,16-,17-,18?,20?,22-,23+,24-/m0/s1
SMILES: CC(C)(C)N1C(=O)[C@@H]2[C@@H](N[C@@]3([C@@H]2C1=O)C4=C(C=CC(=C4)Cl)NC3=O)CCC(=O)N
InChI: InChI=1S/C20H23ClN4O4/c1-19(2,3)25-16(27)14-12(6-7-13(22)26)24-20(15(14)17(25)28)10-8-9(21)4-5-11(10)23-18(20)29/h4-5,8,12,14-15,24H,6-7H2,1-3H3,(H2,22,26)(H,23,29)/t12-,14+,15-,20+/m0/s1
SMILES: CC[C@H]([C@@H]1[C@@H]([C@@H]2[C@H](O1)OC(O2)(C)C)OCC3=CC=C(C=C3)C)O
InChI: InChI=1S/C18H26O5/c1-5-13(19)14-15(16-17(21-14)23-18(3,4)22-16)20-10-12-8-6-11(2)7-9-12/h6-9,13-17,19H,5,10H2,1-4H3/t13-,14-,15+,16-,17-/m1/s1
SMILES: C[C@H]1CC[C@@H]([C@H]2[C@@]1(C[C@]3([C@@H]2OC(=O)/C=C\[S@@](=O)C)C(=C)COC3=O)C)OC(=O)C
InChI: InChI=1S/C21H28O7S/c1-12-6-7-15(27-14(3)22)17-18(28-16(23)8-9-29(5)25)21(11-20(12,17)4)13(2)10-26-19(21)24/h8-9,12,15,17-18H,2,6-7,10-11H2,1,3-5H3/b9-8-/t12-,15-,17+,18+,20+,21+,29-/m0/s1
SMILES: COC1=CC=CC2=C1CC[C@@H]3[C@H]2CN(C3)CCN4C(=O)C5=CC(=C(C=C5NC4=O)OC)Cl
InChI: InChI=1S/C24H26ClN3O4/c1-31-21-5-3-4-15-16(21)7-6-14-12-27(13-18(14)15)8-9-28-23(29)17-10-19(25)22(32-2)11-20(17)26-24(28)30/h3-5,10-11,14,18H,6-9,12-13H2,1-2H3,(H,26,30)/t14-,18+/m0/s1
SMILES: C[C@]12CCC[C@]3([C@@H]1C[C@H]4[C@@H](C2)OC(=O)[C@@H]4CN5CCC(CC5)N6CCCCC6)CO3
InChI: InChI=1S/C25H40N2O3/c1-24-8-5-9-25(17-29-25)22(24)14-19-20(23(28)30-21(19)15-24)16-26-12-6-18(7-13-26)27-10-3-2-4-11-27/h18-22H,2-17H2,1H3/t19-,20-,21-,22-,24-,25-/m1/s1
SMILES: C1C2=CC=CC=C2CN1C3=NC=NC4=C3N=CN4C5[C@@H]([C@@H]([C@H](O5)CO)O)O
InChI: InChI=1S/C18H19N5O4/c24-7-12-14(25)15(26)18(27-12)23-9-21-13-16(19-8-20-17(13)23)22-5-10-3-1-2-4-11(10)6-22/h1-4,8-9,12,14-15,18,24-26H,5-7H2/t12-,14-,15-,18?/m1/s1
SMILES: CCN1C(=NN=C1SCC(=O)N[C@@H]2CCCC[C@H]2C)CN3CCCCCC3=O
InChI: InChI=1S/C20H33N5O2S/c1-3-25-17(13-24-12-8-4-5-11-19(24)27)22-23-20(25)28-14-18(26)21-16-10-7-6-9-15(16)2/h15-16H,3-14H2,1-2H3,(H,21,26)/t15-,16-/m1/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=C(C=C(C=C7OC)O)OC)C(=O)N(C5=O)C8=CC=C(C=C8)Br
InChI: InChI=1S/C41H36BrN3O7/c1-22-9-13-25(14-10-22)43-45-38(48)31-21-30-28(17-18-29-34(30)39(49)44(37(29)47)26-15-11-24(42)12-16-26)36(35-32(51-2)19-27(46)20-33(35)52-3)41(31,40(45)50)23-7-5-4-6-8-23/h4-17,19-20,29-31,34,36,43,46H,18,21H2,1-3H3/t29-,30+,31-,34-,36+,41+/m0/s1
SMILES: C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
InChI: InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21+/m1/s1
SMILES: CC(C)[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)NC(=O)C[C@H](CC3=CC=CC=C3)NC(=O)[C@@H]4CCCC[C@H]4N
InChI: InChI=1S/C46H66N6O9/c1-29(2)39(52-41(54)26-34(24-31-15-7-4-8-16-31)49-45(60)35-17-9-11-19-37(35)47)28-42(55)51-38-20-12-10-18-36(38)46(61)50-33(23-30-13-5-3-6-14-30)25-40(53)48-32(27-44(58)59)21-22-43(56)57/h3-8,13-16,29,32-39H,9-12,17-28,47H2,1-2H3,(H,48,53)(H,49,60)(H,50,61)(H,51,55)(H,52,54)(H,56,57)(H,58,59)/t32-,33-,34-,35+,36+,37+,38+,39+/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC3=NC(=CS3)C4=CC=C(C=C4)C[N+]5=CC=CC=C5)C(=O)[O-])[C@@H](C)O
InChI: InChI=1S/C25H23N3O4S2/c1-14-20-19(15(2)29)23(30)28(20)21(24(31)32)22(14)34-25-26-18(13-33-25)17-8-6-16(7-9-17)12-27-10-4-3-5-11-27/h3-11,13-15,19-20,29H,12H2,1-2H3/t14-,15-,19-,20-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@@H]([C@](O1)(C2CCCC2=O)N3C=CC(=O)NC3=O)Br)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C26H45BrN2O6Si2/c1-24(2,3)36(7,8)33-16-19-21(35-37(9,10)25(4,5)6)22(27)26(34-19,17-12-11-13-18(17)30)29-15-14-20(31)28-23(29)32/h14-15,17,19,21-22H,11-13,16H2,1-10H3,(H,28,31,32)/t17?,19-,21-,22+,26-/m1/s1
SMILES: C[C@]12CC[C@@H]([C@@](C1CC[C@@]3(C2CC=C4[C@]3(CC[C@@]5(C4CC(CC5)(C)C)C(=O)O)C)C)(C)CO)OC(=O)/C=C\C6=CC=C(C=C6)O
InChI: InChI=1S/C39H54O6/c1-34(2)19-21-39(33(43)44)22-20-37(5)27(28(39)23-34)12-13-30-35(3)17-16-31(36(4,24-40)29(35)15-18-38(30,37)6)45-32(42)14-9-25-7-10-26(41)11-8-25/h7-12,14,28-31,40-41H,13,15-24H2,1-6H3,(H,43,44)/b14-9-/t28?,29?,30?,31-,35-,36-,37+,38+,39-/m0/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CC(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)F
InChI: InChI=1S/C18H16ClFN2O5/c19-10-5-6-13(20)14(7-10)21-15(23)9-27-16(24)8-22-17(25)11-3-1-2-4-12(11)18(22)26/h1-2,5-7,11-12H,3-4,8-9H2,(H,21,23)/t11-,12+
SMILES: CCCCCCCCN(CCCCCCCC)C[C@@H]1[C@@H]([C@@H](O[C@@H](O1)C2=CC=C(C=C2)C3=CC=CC(=C3)CNC(=O)C4=CN=CC=C4)C5=CC=C(C=C5)CO)C
InChI: InChI=1S/C48H65N3O4/c1-4-6-8-10-12-14-30-51(31-15-13-11-9-7-5-2)35-45-37(3)46(41-23-21-38(36-52)22-24-41)55-48(54-45)42-27-25-40(26-28-42)43-19-16-18-39(32-43)33-50-47(53)44-20-17-29-49-34-44/h16-29,32,34,37,45-46,48,52H,4-15,30-31,33,35-36H2,1-3H3,(H,50,53)/t37-,45+,46+,48+/m0/s1
SMILES: CC(C)([C@H]1C[C@@]23CC[C@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)OCCCCN=C(N)N)O4)C)OC)O
InChI: InChI=1S/C28H42N4O4/c1-25(2,33)19-16-26-9-10-28(19,34-4)23-27(26)11-13-32(3)20(26)15-17-7-8-18(22(36-23)21(17)27)35-14-6-5-12-31-24(29)30/h7-8,19-20,23,33H,5-6,9-16H2,1-4H3,(H4,29,30,31)/t19-,20-,23-,26-,27+,28+/m1/s1
SMILES: C[C@H]1C[C@@H]1C2=CC=C(O2)/C=N\NC(=O)[C@@H]3COC4=CC=CC=C4O3
InChI: InChI=1S/C18H18N2O4/c1-11-8-13(11)14-7-6-12(23-14)9-19-20-18(21)17-10-22-15-4-2-3-5-16(15)24-17/h2-7,9,11,13,17H,8,10H2,1H3,(H,20,21)/b19-9-/t11-,13-,17-/m0/s1
SMILES: CC(=O)O[C@H](CBr)[C@@H]1[C@@]([C@@H]2[C@H](O1)OC(O2)(C)C)(CC=C)O
InChI: InChI=1S/C14H21BrO6/c1-5-6-14(17)10(9(7-15)18-8(2)16)19-12-11(14)20-13(3,4)21-12/h5,9-12,17H,1,6-7H2,2-4H3/t9-,10-,11+,12-,14-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@H]3[C@H](S2)CO[Si](O3)(C(C)(C)C)C(C)(C)C)[Se]C4=CC=CC=C4
InChI: InChI=1S/C24H34N2O4SSeSi/c1-15-13-26(22(28)25-20(15)27)21-19(32-16-11-9-8-10-12-16)18-17(31-21)14-29-33(30-18,23(2,3)4)24(5,6)7/h8-13,17-19,21H,14H2,1-7H3,(H,25,27,28)/t17-,18-,19-,21-/m1/s1
SMILES: CC(CCC/C(=C/C[C@@H]1[C@H](C1(C)C)C(=O)OC(C)(C)C)/C)O
InChI: InChI=1S/C19H34O3/c1-13(9-8-10-14(2)20)11-12-15-16(19(15,6)7)17(21)22-18(3,4)5/h11,14-16,20H,8-10,12H2,1-7H3/b13-11+/t14?,15-,16+/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.Cl
InChI: InChI=1S/C17H19NO3.ClH/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;/h2-5,10-11,13,16,19-20H,6-8H2,1H3;1H/t10-,11+,13-,16-,17-;/m0./s1
SMILES: CCC(C(=O)O[C@@H]1C[C@@]2([C@@H](C[C@@H]3[C@@H]([C@]2(C[C@H]1O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C)CC[C@]5([C@H]3C[C@H]6[C@@H]5[C@@H]([C@]7(O6)CC[C@H](CO7)C)C)C)O)O)O
InChI: InChI=1S/C37H60O13/c1-6-22(39)32(44)47-25-14-36(45)27(40)11-19-20(35(36,5)13-24(25)48-33-31(43)30(42)29(41)26(15-38)49-33)8-9-34(4)21(19)12-23-28(34)18(3)37(50-23)10-7-17(2)16-46-37/h17-31,33,38-43,45H,6-16H2,1-5H3/t17-,18+,19-,20+,21+,22?,23+,24-,25-,26-,27-,28+,29-,30+,31-,33-,34+,35-,36+,37-/m1/s1
SMILES: C=CCNC(=S)N1[C@H]([C@@H]2CCC3=CC=CC=C3C2=N1)C4=CC=CC=C4Cl
InChI: InChI=1S/C21H20ClN3S/c1-2-13-23-21(26)25-20(16-9-5-6-10-18(16)22)17-12-11-14-7-3-4-8-15(14)19(17)24-25/h2-10,17,20H,1,11-13H2,(H,23,26)/t17-,20+/m1/s1
SMILES: COC(=O)[C@H]1[C@H]2[C@@H]1[C@@](C3C2OC4(O3)CCCCC4)(C(=O)OC)N
InChI: InChI=1S/C16H23NO6/c1-20-13(18)9-8-10(9)16(17,14(19)21-2)12-11(8)22-15(23-12)6-4-3-5-7-15/h8-12H,3-7,17H2,1-2H3/t8-,9-,10-,11?,12?,16+/m0/s1
SMILES: CC1=CC[C@H]2[C@H](C1)C(=O)N(C2=O)C3=CC(=CC=C3)[N+](=O)[O-]
InChI: InChI=1S/C15H14N2O4/c1-9-5-6-12-13(7-9)15(19)16(14(12)18)10-3-2-4-11(8-10)17(20)21/h2-5,8,12-13H,6-7H2,1H3/t12-,13-/m0/s1
SMILES: CC1(OC[C@H](O1)[C@@H]2[C@H]3[C@@H](C(O2)OP(=O)(C)OC4[C@@H]5[C@H]([C@H](O4)[C@@H]6COC(O6)(C)C)OC(O5)(C)C)OC(O3)(C)C)C
InChI: InChI=1S/C25H41O13P/c1-22(2)27-10-12(31-22)14-16-18(35-24(5,6)33-16)20(29-14)37-39(9,26)38-21-19-17(34-25(7,8)36-19)15(30-21)13-11-28-23(3,4)32-13/h12-21H,10-11H2,1-9H3/t12-,13-,14+,15+,16-,17-,18-,19-,20?,21?,39?/m0/s1
SMILES: CC1=CC2=C(C=C1)N[C@H]([C@H]3[C@@H]2C=CC3)C4=CN=CC=C4
InChI: InChI=1S/C18H18N2/c1-12-7-8-17-16(10-12)14-5-2-6-15(14)18(20-17)13-4-3-9-19-11-13/h2-5,7-11,14-15,18,20H,6H2,1H3/t14-,15+,18-/m0/s1
SMILES: CC1([C@@H]2CC[C@]13CS(=O)(=O)N([C@@H]3C2)C(=O)C(CCC4(C=CCC=C4)COC)I)C
InChI: InChI=1S/C22H32INO4S/c1-20(2)16-7-12-22(20)15-29(26,27)24(18(22)13-16)19(25)17(23)8-11-21(14-28-3)9-5-4-6-10-21/h5-6,9-10,16-18H,4,7-8,11-15H2,1-3H3/t16-,17?,18-,22-/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@H](C[C@H](O1)CO)C(F)(F)F)OC(=O)C2=CC=CC=C2
InChI: InChI=1S/C15H17F3O5/c1-21-14-12(23-13(20)9-5-3-2-4-6-9)11(15(16,17)18)7-10(8-19)22-14/h2-6,10-12,14,19H,7-8H2,1H3/t10-,11-,12+,14-/m0/s1
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC(=O)C(C(F)(F)F)(F)F)O[C@H]3[C@H](C=C4)OC(=O)C(C(F)(F)F)(F)F
InChI: InChI=1S/C23H17F10NO5/c1-34-7-6-19-10-3-5-13(38-18(36)21(26,27)23(31,32)33)16(19)39-15-12(4-2-9(14(15)19)8-11(10)34)37-17(35)20(24,25)22(28,29)30/h2-5,10-11,13,16H,6-8H2,1H3/t10-,11+,13-,16-,19-/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)C2=CC=CC=C2)O[C@@H]3C[C@H](C=[N+](O3)[O-])C4=CC=CC=C4
InChI: InChI=1S/C22H25NO3/c24-23-16-19(17-9-3-1-4-10-17)15-22(26-23)25-21-14-8-7-13-20(21)18-11-5-2-6-12-18/h1-6,9-12,16,19-22H,7-8,13-15H2/t19-,20+,21-,22+/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3[C@H](CC(=O)O3)N=[N+]=[N-]
InChI: InChI=1S/C21H25N3O3Si/c1-21(2,3)28(16-10-6-4-7-11-16,17-12-8-5-9-13-17)26-15-19-18(23-24-22)14-20(25)27-19/h4-13,18-19H,14-15H2,1-3H3/t18-,19+/m0/s1
SMILES: C[C@@H]1C[C@@H](CC[C@@H]1NC2=NC(=NC3=C2C=C(C=C3)C)/C=C/C4=CC=CC=N4)N
InChI: InChI=1S/C23H27N5/c1-15-6-9-21-19(13-15)23(27-20-10-7-17(24)14-16(20)2)28-22(26-21)11-8-18-5-3-4-12-25-18/h3-6,8-9,11-13,16-17,20H,7,10,14,24H2,1-2H3,(H,26,27,28)/b11-8+/t16-,17-,20+/m1/s1
SMILES: COC(=O)[C@]1([C@H]2C=CC3=CC=CC=C3N2[C@@H]([C@H]1C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)Cl)C#N
InChI: InChI=1S/C28H21ClN2O3/c1-34-27(33)28(17-30)23-16-13-18-7-5-6-10-22(18)31(23)25(24(28)19-8-3-2-4-9-19)26(32)20-11-14-21(29)15-12-20/h2-16,23-25H,1H3/t23-,24-,25+,28+/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)N4C(=O)CC(C4=O)NC(=O)OCC5=CC=CC=C5)CSC6=NN=CN6C
InChI: InChI=1S/C34H35N5O7S/c1-21-28(19-47-33-37-35-20-38(33)2)45-32(46-30(21)24-10-8-22(17-40)9-11-24)25-12-14-26(15-13-25)39-29(41)16-27(31(39)42)36-34(43)44-18-23-6-4-3-5-7-23/h3-15,20-21,27-28,30,32,40H,16-19H2,1-2H3,(H,36,43)/t21-,27?,28+,30+,32+/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)CNC(=O)[C@@H](CC4=CC=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)C)CN6CCCCC6
InChI: InChI=1S/C41H49N3O6S/c1-29-11-21-36(22-12-29)51(47,48)43-37(25-31-9-5-3-6-10-31)40(46)42-26-32-13-19-35(20-14-32)41-49-38(27-44-23-7-4-8-24-44)30(2)39(50-41)34-17-15-33(28-45)16-18-34/h3,5-6,9-22,30,37-39,41,43,45H,4,7-8,23-28H2,1-2H3,(H,42,46)/t30-,37+,38+,39+,41+/m0/s1
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CCCC([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)C)C
InChI: InChI=1S/C30H50/c1-20(2)21-12-16-27(5)18-19-29(7)22(25(21)27)10-11-24-28(6)15-9-14-26(3,4)23(28)13-17-30(24,29)8/h21-25H,1,9-19H2,2-8H3/t21-,22+,23-,24+,25+,27+,28-,29+,30+/m0/s1
SMILES: C1CC[C@@H]2CN(CC[C@H]2C1)C(=O)/C=C/C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C19H23NO3/c21-19(20-10-9-15-3-1-2-4-16(15)12-20)8-6-14-5-7-17-18(11-14)23-13-22-17/h5-8,11,15-16H,1-4,9-10,12-13H2/b8-6+/t15-,16-/m1/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN(C3=O)CCO)CO)O
InChI: InChI=1S/C12H16N4O5/c17-2-1-15-5-14-11-10(12(15)20)13-6-16(11)9-3-7(19)8(4-18)21-9/h5-9,17-19H,1-4H2/t7-,8+,9+/m0/s1
SMILES: C1C=C[C@@H]2[C@H]1[C@@H](NC3=CC=CC=C23)C4=CC=NC=C4
InChI: InChI=1S/C17H16N2/c1-2-7-16-14(4-1)13-5-3-6-15(13)17(19-16)12-8-10-18-11-9-12/h1-5,7-11,13,15,17,19H,6H2/t13-,15-,17-/m0/s1
SMILES: CC(=O)OC1[C@H]2[C@H](N2C(=O)OC(C)(C)C)C3N1C4=C([C@@]3(COCO[Si](C)(C)C(C)(C)C)C=O)C(=CC(=C4)C(=O)OC)OCC5=CC=CC=C5
InChI: InChI=1S/C36H48N2O10Si/c1-22(40)47-31-29-28(38(29)33(42)48-34(2,3)4)30-36(19-39,20-44-21-46-49(9,10)35(5,6)7)27-25(37(30)31)16-24(32(41)43-8)17-26(27)45-18-23-14-12-11-13-15-23/h11-17,19,28-31H,18,20-21H2,1-10H3/t28-,29+,30?,31?,36-,38?/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]([C@H](C=O)NC(=O)C)[C@@H]([C@@H](CO)O)O[C@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO)O)O
InChI: InChI=1S/C22H38N2O16/c1-7(29)23-9(3-25)19(39-21-13(24-8(2)30)16(34)14(32)11(5-27)37-21)20(10(31)4-26)40-22-18(36)17(35)15(33)12(6-28)38-22/h3,9-22,26-28,31-36H,4-6H2,1-2H3,(H,23,29)(H,24,30)/t9-,10+,11+,12+,13+,14+,15+,16+,17-,18-,19+,20+,21-,22-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H]2[C@]1([C@H]([C@@H](C(=C2)C)OC(=O)C)OC(=O)[C@@H]3C[C@@]4([C@H](N3)ON(C5=C4C=CC=C5Cl)C)O)O)C(C)C
InChI: InChI=1S/C29H39ClN2O7/c1-14(2)18-11-10-16(4)29(36)20(18)12-15(3)24(37-17(5)33)25(29)38-26(34)22-13-28(35)19-8-7-9-21(30)23(19)32(6)39-27(28)31-22/h7-9,12,14,16,18,20,22,24-25,27,31,35-36H,10-11,13H2,1-6H3/t16-,18+,20-,22+,24-,25+,27-,28-,29-/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CC(=O)OCC(=O)NC3=CC=C(C=C3)I
InChI: InChI=1S/C18H19IN2O5/c19-11-5-7-12(8-6-11)20-15(22)10-26-16(23)9-21-17(24)13-3-1-2-4-14(13)18(21)25/h5-8,13-14H,1-4,9-10H2,(H,20,22)/t13-,14+
SMILES: CCCCN1C(=O)[C@H]2[C@@H](N(O[C@H]2C1=O)C3=CC=CC=C3)C4=CC=C(C=C4)OC
InChI: InChI=1S/C22H24N2O4/c1-3-4-14-23-21(25)18-19(15-10-12-17(27-2)13-11-15)24(28-20(18)22(23)26)16-8-6-5-7-9-16/h5-13,18-20H,3-4,14H2,1-2H3/t18-,19-,20+/m0/s1
SMILES: C1C[C@@H]([C@H]([C@@H]2[C@@H]1C[NH+]3CCC4=C([C@@H]3C2)NC5=CC=CC=C45)C(=O)[O-])O
InChI: InChI=1S/C20H24N2O3/c23-17-6-5-11-10-22-8-7-13-12-3-1-2-4-15(12)21-19(13)16(22)9-14(11)18(17)20(24)25/h1-4,11,14,16-18,21,23H,5-10H2,(H,24,25)/t11-,14-,16-,17-,18-/m0/s1
SMILES: CCCC/C=C/C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)C(=O)NCC)O)O)N
InChI: InChI=1S/C18H26N6O4/c1-3-5-6-7-8-10-22-15(19)11-16(23-10)24(9-21-11)18-13(26)12(25)14(28-18)17(27)20-4-2/h7-9,12-14,18,25-26H,3-6H2,1-2H3,(H,20,27)(H2,19,22,23)/b8-7+/t12-,13+,14-,18+/m0/s1
SMILES: CC(=C)[C@@H]1CC[C@]2([C@@H]1[C@@H]3CC[C@@H]4[C@@]([C@@]3(CC2)C)(CC[C@@H]5[C@@]4(C/C(=C\C6=C(C(=CC=C6)OC)OC)/C(=O)C5(C)C)C)C)C(=O)OC
InChI: InChI=1S/C40H56O5/c1-24(2)27-16-19-40(35(42)45-10)21-20-38(6)28(32(27)40)14-15-31-37(5)23-26(22-25-12-11-13-29(43-8)33(25)44-9)34(41)36(3,4)30(37)17-18-39(31,38)7/h11-13,22,27-28,30-32H,1,14-21,23H2,2-10H3/b26-22+/t27-,28-,30-,31-,32-,37-,38+,39-,40-/m0/s1
SMILES: C1CCCN(CC1)C(=O)[C@@H]2[C@@H](CN2)OC3=CC=C(C=C3)Cl
InChI: InChI=1S/C16H21ClN2O2/c17-12-5-7-13(8-6-12)21-14-11-18-15(14)16(20)19-9-3-1-2-4-10-19/h5-8,14-15,18H,1-4,9-11H2/t14-,15+/m1/s1