EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC[C@]1(CC[C@@H](O1)[C@@]2(CC[C@@]3(O2)C[C@@H]([C@H]([C@H](O3)[C@@H](C)[C@H]([C@H](C)C(=O)O)OC)C)O)C)[C@H]4[C@H](C[C@@H](O4)[C@@H]5[C@H](C[C@H]([C@@](O5)(CO)OC)C)C)C
InChI: InChI=1S/C37H64O11/c1-11-35(32-21(3)17-27(44-32)29-20(2)16-22(4)37(19-38,43-10)47-29)13-12-28(45-35)34(8)14-15-36(48-34)18-26(39)23(5)31(46-36)24(6)30(42-9)25(7)33(40)41/h20-32,38-39H,11-19H2,1-10H3,(H,40,41)/t20-,21-,22+,23+,24-,25-,26-,27+,28+,29-,30+,31-,32+,34-,35-,36+,37-/m0/s1
SMILES: CCCN([C@H]1CC(=NOCC2=CC=C(C=C2)[N+](=O)[O-])C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC(=O)NCC6=CC=CC=C6)OCC=C)CCCCO)CCCCO)C(=O)C7=CC8=C(C=C7)OCO8
InChI: InChI=1S/C53H60N4O12/c1-3-24-56(51(60)38-18-22-46-47(29-38)65-34-64-46)48-31-44(55-67-33-36-16-19-39(20-17-36)57(62)63)42-28-37(14-8-10-25-58)41(15-9-11-26-59)49-43-30-40(68-52(61)54-32-35-12-6-5-7-13-35)21-23-45(43)69-53(48,50(42)49)66-27-4-2/h4-7,12-13,16-23,28-30,37,41,48-50,58-59H,2-3,8-11,14-15,24-27,31-34H2,1H3,(H,54,61)/t37-,41+,48-,49+,50+,53+/m0/s1
SMILES: [2H]C1[C@H](O[C@H]([C@@H]1F)N2C=NC3=C(N=CN=C32)N)CO
InChI: InChI=1S/C10H12FN5O2/c11-6-1-5(2-17)18-10(6)16-4-15-7-8(12)13-3-14-9(7)16/h3-6,10,17H,1-2H2,(H2,12,13,14)/t5-,6+,10+/m0/s1/i1D/t1?,5-,6+,10+
SMILES: C1CC[C@@]23CCN([C@H]([C@@H]2C1)CC4=C3C=C(C=C4)O)CCCCC5=CC=CC=C5
InChI: InChI=1S/C26H33NO/c28-22-13-12-21-18-25-23-11-4-6-14-26(23,24(21)19-22)15-17-27(25)16-7-5-10-20-8-2-1-3-9-20/h1-3,8-9,12-13,19,23,25,28H,4-7,10-11,14-18H2/t23-,25-,26+/m0/s1
SMILES: CO[C@@]12CCC(=O)C[C@@]13CCN(C2CC4=C3C=C(C=C4)OC/C=C/C5=CC=CC=C5)CC6CC6
InChI: InChI=1S/C30H35NO3/c1-33-30-14-13-25(32)20-29(30)15-16-31(21-23-9-10-23)28(30)18-24-11-12-26(19-27(24)29)34-17-5-8-22-6-3-2-4-7-22/h2-8,11-12,19,23,28H,9-10,13-18,20-21H2,1H3/b8-5+/t28?,29-,30-/m1/s1
SMILES: CC1=CC(=NN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H]2C4=CC=CC=C4)C=C3)C
InChI: InChI=1S/C19H20N2O/c1-12-10-13(2)21(20-12)19(22)18-16-9-8-15(11-16)17(18)14-6-4-3-5-7-14/h3-10,15-18H,11H2,1-2H3/t15-,16+,17+,18+/m0/s1
SMILES: C[C@H]1CC[C@@H]2[C@H](C[C@@H]3[C@]24[C@@]1(C(=O)C(=O)[C@@]([C@H]3C(=C)C)(C4=O)C)O)C
InChI: InChI=1S/C20H26O4/c1-9(2)14-13-8-10(3)12-7-6-11(4)20(24)16(22)15(21)18(14,5)17(23)19(12,13)20/h10-14,24H,1,6-8H2,2-5H3/t10-,11-,12+,13-,14-,18+,19+,20+/m0/s1
SMILES: CC1=CN(C(=O)N(C1=O)C)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)CC=C
InChI: InChI=1S/C33H34N2O4/c1-4-14-25-21-30(35-22-24(2)31(36)34(3)32(35)37)39-29(25)23-38-33(26-15-8-5-9-16-26,27-17-10-6-11-18-27)28-19-12-7-13-20-28/h4-13,15-20,22,25,29-30H,1,14,21,23H2,2-3H3/t25-,29+,30+/m0/s1
SMILES: CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)NCC2=CC=CC=C2)C(C)C)CCOCCOCCO
InChI: InChI=1S/C24H37NO6/c1-4-30-24-20(10-12-28-14-15-29-13-11-26)21(18(2)3)16-22(31-24)23(27)25-17-19-8-6-5-7-9-19/h5-9,16,18,20-21,24,26H,4,10-15,17H2,1-3H3,(H,25,27)/t20-,21-,24-/m1/s1
SMILES: CC1([C@@]2(CC[C@]1([C@@H]2Br)C(=O)NC3=CC=CC=N3)C(Br)Br)C
InChI: InChI=1S/C15H17Br3N2O/c1-13(2)14(11(17)18)6-7-15(13,10(14)16)12(21)20-9-5-3-4-8-19-9/h3-5,8,10-11H,6-7H2,1-2H3,(H,19,20,21)/t10-,14-,15+/m1/s1
SMILES: COC1=CC[C@]23CCN[C@]24[C@]1(O[C@@H](C4)C5=C3C(=C(C=C5)OC)O)O
InChI: InChI=1S/C18H21NO5/c1-22-11-4-3-10-12-9-17-16(7-8-19-17,14(10)15(11)20)6-5-13(23-2)18(17,21)24-12/h3-5,12,19-21H,6-9H2,1-2H3/t12-,16+,17-,18-/m0/s1
SMILES: C[C@H](CCCC(C)C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
InChI: InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23?,24+,25+,26+,27-/m1/s1
SMILES: COC1=CC(=CC2=C1OCCO2)/C=C/C(=O)OCC(=O)N3CCC[C@H]4[C@H]3CCCC4
InChI: InChI=1S/C23H29NO6/c1-27-19-13-16(14-20-23(19)29-12-11-28-20)8-9-22(26)30-15-21(25)24-10-4-6-17-5-2-3-7-18(17)24/h8-9,13-14,17-18H,2-7,10-12,15H2,1H3/b9-8+/t17-,18+/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)NS(=O)(=O)C2=CC=CC(=C2)C(=O)[O-]
InChI: InChI=1S/C15H21NO4S/c1-10-5-3-8-14(11(10)2)16-21(19,20)13-7-4-6-12(9-13)15(17)18/h4,6-7,9-11,14,16H,3,5,8H2,1-2H3,(H,17,18)/p-1/t10-,11-,14+/m0/s1
SMILES: CC1=CC[C@H]2[C@H](C1)C(=O)N(C2=O)C3=CC=CC=C3C(=O)NC4=CC=CC(=C4C)C
InChI: InChI=1S/C24H24N2O3/c1-14-11-12-17-19(13-14)24(29)26(23(17)28)21-10-5-4-8-18(21)22(27)25-20-9-6-7-15(2)16(20)3/h4-11,17,19H,12-13H2,1-3H3,(H,25,27)/t17-,19-/m0/s1
SMILES: CC1=CC(=C(C=C1)C)NC(=O)CN2CC[C@@]3(CCCC[C@@H]3[C@H]2C4=CC=C(C=C4)OC)O
InChI: InChI=1S/C26H34N2O3/c1-18-7-8-19(2)23(16-18)27-24(29)17-28-15-14-26(30)13-5-4-6-22(26)25(28)20-9-11-21(31-3)12-10-20/h7-12,16,22,25,30H,4-6,13-15,17H2,1-3H3,(H,27,29)/t22-,25-,26-/m1/s1
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NCC6=CC=CC=C6)O
InChI: InChI=1S/C34H35NO11/c1-16-29(38)20(35-14-17-7-4-3-5-8-17)11-24(45-16)46-22-13-34(43,23(37)15-36)12-19-26(22)33(42)28-27(31(19)40)30(39)18-9-6-10-21(44-2)25(18)32(28)41/h3-10,16,20,22,24,29,35-36,38,40,42-43H,11-15H2,1-2H3/t16-,20-,22-,24-,29+,34-/m0/s1
SMILES: CCCCCCCCCCCCC[C@H]([C@H](C)[C@@H]1[C@H](COC(O1)(C)C)C)OC(=O)C2=CC=CC=C2
InChI: InChI=1S/C30H50O4/c1-6-7-8-9-10-11-12-13-14-15-19-22-27(33-29(31)26-20-17-16-18-21-26)25(3)28-24(2)23-32-30(4,5)34-28/h16-18,20-21,24-25,27-28H,6-15,19,22-23H2,1-5H3/t24-,25-,27+,28-/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(CCCOC)S(=O)(=O)C6=CC=CS6)O)C(=C5)C(=O)C7CCCCC7)O)C
InChI: InChI=1S/C37H53NO6S2/c1-33-15-12-27(39)23-35(33)18-19-37(28(24-35)32(40)26-9-5-4-6-10-26)29(33)13-16-34(2)30(37)14-17-36(34,41)25-38(20-8-21-44-3)46(42,43)31-11-7-22-45-31/h7,11,18-19,22,24,26-27,29-30,39,41H,4-6,8-10,12-17,20-21,23,25H2,1-3H3/t27?,29-,30-,33-,34+,35+,36-,37-/m1/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OCC(=O)N(CCOC)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)CO)C(=O)NCCO)C(C)C
InChI: InChI=1S/C32H48N2O9/c1-18(2)21-7-6-19(3)12-25(21)42-17-27(37)34(9-11-40-4)24-15-23(32(39)33-8-10-35)28-22-13-20(16-36)14-26(41-5)30(22)43-31(28)29(24)38/h13-15,18-19,21,24-25,28-29,31,35-36,38H,6-12,16-17H2,1-5H3,(H,33,39)/t19-,21+,24+,25-,28-,29-,31-/m0/s1
SMILES: C1CC[C@@H]([C@H](C1)C(=O)NCCC2=CC(=CC=C2)Cl)C(=O)O
InChI: InChI=1S/C16H20ClNO3/c17-12-5-3-4-11(10-12)8-9-18-15(19)13-6-1-2-7-14(13)16(20)21/h3-5,10,13-14H,1-2,6-9H2,(H,18,19)(H,20,21)/t13-,14-/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@H]([C@@H]3[C@H](O2)OC(O3)(C)C)NC(=O)C4=CC=C(C=C4)Cl)C
InChI: InChI=1S/C19H24ClNO6/c1-18(2)23-9-12(25-18)14-13(15-17(24-14)27-19(3,4)26-15)21-16(22)10-5-7-11(20)8-6-10/h5-8,12-15,17H,9H2,1-4H3,(H,21,22)/t12-,13-,14-,15-,17-/m1/s1
SMILES: C1C[C@@H]2C[C@H]1[C@H]([C@@H]2C(=O)O)C(=O)NC3=NC=CS3
InChI: InChI=1S/C12H14N2O3S/c15-10(14-12-13-3-4-18-12)8-6-1-2-7(5-6)9(8)11(16)17/h3-4,6-9H,1-2,5H2,(H,16,17)(H,13,14,15)/t6-,7+,8+,9+/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)CNC(=O)C4=C(C(=C(C(=C4F)F)F)F)F)CN5CCC(CC5)N6C7=CC=CC=C7NC6=O
InChI: InChI=1S/C39H37F5N4O5/c1-21-29(19-47-16-14-26(15-17-47)48-28-5-3-2-4-27(28)46-39(48)51)52-38(53-36(21)24-10-8-23(20-49)9-11-24)25-12-6-22(7-13-25)18-45-37(50)30-31(40)33(42)35(44)34(43)32(30)41/h2-13,21,26,29,36,38,49H,14-20H2,1H3,(H,45,50)(H,46,51)/t21-,29+,36+,38+/m1/s1
SMILES: C1COCCN1C2=CC=C(C=C2)NC(=O)[C@@H]3[C@H]4C(=O)O[C@@H]([C@@H](N4[C@@H]([C@]35C6=CC=CC=C6N(C5=O)C(=O)OCC7=CC=C(C=C7)[N+](=O)[O-])C8=CC(=CC=C8)OCCO)C9=CC=CC=C9)C1=CC=CC=C1
InChI: InChI=1S/C53H47N5O11/c59-28-31-67-41-15-9-14-37(32-41)48-53(42-16-7-8-17-43(42)56(51(53)62)52(63)68-33-34-18-22-40(23-19-34)58(64)65)44(49(60)54-38-20-24-39(25-21-38)55-26-29-66-30-27-55)46-50(61)69-47(36-12-5-2-6-13-36)45(57(46)48)35-10-3-1-4-11-35/h1-25,32,44-48,59H,26-31,33H2,(H,54,60)/t44-,45-,46-,47+,48+,53-/m0/s1
SMILES: C1C[N+]2(CC3=CCO[C@H]4CC(=O)N5[C@H]6[C@H]4[C@H]3C[C@H]2[C@@]61C7=CC=CC=C75)CCCCCCC[N+]89CC[C@@]12[C@@H]8C[C@@H]3[C@@H]4[C@@H]1N(C(=O)C[C@@H]4OCC=C3C9)C1=CC=CC=C21
InChI: InChI=1S/C49H58N4O4/c54-42-26-38-44-32-24-40-48(34-10-4-6-12-36(34)50(42)46(44)48)16-20-52(40,28-30(32)14-22-56-38)18-8-2-1-3-9-19-53-21-17-49-35-11-5-7-13-37(35)51-43(55)27-39-45(47(49)51)33(25-41(49)53)31(29-53)15-23-57-39/h4-7,10-15,32-33,38-41,44-47H,1-3,8-9,16-29H2/q+2/t32-,33-,38-,39-,40-,41-,44-,45-,46-,47-,48+,49+,52?,53?/m0/s1
SMILES: CCOC(=O)NNC(=O)C1=CO[C@H]([C@H]2[C@@H]1C[C@@H]3C4=C(CCN3C2)C5=CC(=C(C=C5N4)OC)OC)C
InChI: InChI=1S/C25H32N4O6/c1-5-34-25(31)28-27-24(30)18-12-35-13(2)17-11-29-7-6-14-16-9-21(32-3)22(33-4)10-19(16)26-23(14)20(29)8-15(17)18/h9-10,12-13,15,17,20,26H,5-8,11H2,1-4H3,(H,27,30)(H,28,31)/t13-,15-,17-,20+/m0/s1
SMILES: C[C@@H]1CC[C@@H]([C@@H](C1)OC(=O)COC(=O)C2=CC=NC=C2)C(C)C
InChI: InChI=1S/C18H25NO4/c1-12(2)15-5-4-13(3)10-16(15)23-17(20)11-22-18(21)14-6-8-19-9-7-14/h6-9,12-13,15-16H,4-5,10-11H2,1-3H3/t13-,15-,16-/m1/s1
SMILES: C[C@@H]1CC(=O)[C@@H]2[C@H](N3C(=NC(=N3)C(F)(F)F)NC2=C1)C4=CC=CC=C4
InChI: InChI=1S/C17H15F3N4O/c1-9-7-11-13(12(25)8-9)14(10-5-3-2-4-6-10)24-16(21-11)22-15(23-24)17(18,19)20/h2-7,9,13-14H,8H2,1H3,(H,21,22,23)/t9-,13+,14+/m0/s1
SMILES: CC1=CC=C(C=C1)[C@H]2[C@@H]3C(=O)C[C@@H](C=C3NC4=CC=CC=C4N2)C5=CC(=CC=C5)Br
InChI: InChI=1S/C26H23BrN2O/c1-16-9-11-17(12-10-16)26-25-23(28-21-7-2-3-8-22(21)29-26)14-19(15-24(25)30)18-5-4-6-20(27)13-18/h2-14,19,25-26,28-29H,15H2,1H3/t19-,25+,26+/m1/s1
SMILES: CC1=CC(=C(C=C1C)C(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C
InChI: InChI=1S/C19H21NO3/c1-11-8-13(3)16(9-12(11)2)17(21)10-20-18(22)14-6-4-5-7-15(14)19(20)23/h4-5,8-9,14-15H,6-7,10H2,1-3H3/t14-,15+
SMILES: C[C@@]12CC[C@]3(CCC(C[C@H]3[C@H]1CC4C5([C@]2(CC[C@@H]6[C@@]5(C=CC(=O)C6(C)C)C)C)O4)(C)C)C(=O)O
InChI: InChI=1S/C30H44O4/c1-24(2)12-14-29(23(32)33)15-13-26(5)18(19(29)17-24)16-22-30(34-22)27(6)10-9-21(31)25(3,4)20(27)8-11-28(26,30)7/h9-10,18-20,22H,8,11-17H2,1-7H3,(H,32,33)/t18-,19+,20+,22?,26-,27+,28+,29+,30?/m1/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+/m0/s1
SMILES: CCOC(=O)[C@]12C(=O)N([C@@]3(O1)C[C@H](CC[C@@H]3C2(C)C)C)CCC(=C)C
InChI: InChI=1S/C20H31NO4/c1-7-24-17(23)20-16(22)21(11-10-13(2)3)19(25-20)12-14(4)8-9-15(19)18(20,5)6/h14-15H,2,7-12H2,1,3-6H3/t14-,15+,19+,20-/m0/s1
SMILES: CC1=NC2=CC=CC=C2C(=C1)COC3=CC=C(C=C3)C(=O)N[C@@H]4CN(C[C@@H]4C(=O)NO)C5CCN(CC5)C(=O)OC(C)(C)C
InChI: InChI=1S/C33H41N5O6/c1-21-17-23(26-7-5-6-8-28(26)34-21)20-43-25-11-9-22(10-12-25)30(39)35-29-19-38(18-27(29)31(40)36-42)24-13-15-37(16-14-24)32(41)44-33(2,3)4/h5-12,17,24,27,29,42H,13-16,18-20H2,1-4H3,(H,35,39)(H,36,40)/t27-,29+/m0/s1
SMILES: C[C@H](CN1CCN(CC1)C2=CC=NC=C2)[C@H]3CCC4[C@@]3(CCC5C4CC=C6[C@@]5(CC[C@@H](C6)O)C)C
InChI: InChI=1S/C31H47N3O/c1-22(21-33-16-18-34(19-17-33)24-10-14-32-15-11-24)27-6-7-28-26-5-4-23-20-25(35)8-12-30(23,2)29(26)9-13-31(27,28)3/h4,10-11,14-15,22,25-29,35H,5-9,12-13,16-21H2,1-3H3/t22-,25+,26?,27-,28?,29?,30+,31-/m1/s1
SMILES: CCO[C@H](C)C1=C(C(=CC=C1)[C@@H](C)OCC)[Se][C@@H]2CC(=O)O[C@H]2C3=CC=CC=C3
InChI: InChI=1S/C24H30O4Se/c1-5-26-16(3)19-13-10-14-20(17(4)27-6-2)24(19)29-21-15-22(25)28-23(21)18-11-8-7-9-12-18/h7-14,16-17,21,23H,5-6,15H2,1-4H3/t16-,17-,21-,23+/m1/s1
SMILES: CC(=O)N1C=CN([C@H]([C@@H]1C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54)C(=O)C
InChI: InChI=1S/C24H22N4O2/c1-15(29)27-11-12-28(16(2)30)24(20-14-26-22-10-6-4-8-18(20)22)23(27)19-13-25-21-9-5-3-7-17(19)21/h3-14,23-26H,1-2H3/t23-,24-/m0/s1
SMILES: C[C@@H]1[C@H]2C[C@H]3CC(=O)C(C(=O)[C@]3(C(=O)C2C(=O)C4=C1C(=C(C=C4O)Cl)N)O)C(=O)N
InChI: InChI=1S/C20H19ClN2O7/c1-5-7-2-6-3-9(24)14(19(23)29)18(28)20(6,30)17(27)12(7)16(26)13-10(25)4-8(21)15(22)11(5)13/h4-7,12,14,25,30H,2-3,22H2,1H3,(H2,23,29)/t5-,6+,7-,12?,14?,20+/m1/s1
SMILES: C[C@H]1CC[C@H]([C@@H](C1)O)OC2=CC3=C(C=CC(=C3)OC)C=C2
InChI: InChI=1S/C18H22O3/c1-12-3-8-18(17(19)9-12)21-16-7-5-13-4-6-15(20-2)10-14(13)11-16/h4-7,10-12,17-19H,3,8-9H2,1-2H3/t12-,17+,18+/m0/s1
SMILES: C[C@H]1C[C@H]1C(=O)OCC(=O)C2=C(N(C(=C2)C)C3=NC=CS3)C
InChI: InChI=1S/C16H18N2O3S/c1-9-6-12(9)15(20)21-8-14(19)13-7-10(2)18(11(13)3)16-17-4-5-22-16/h4-5,7,9,12H,6,8H2,1-3H3/t9-,12+/m0/s1
SMILES: CC[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CCC34)O
InChI: InChI=1S/C19H28O3/c1-2-19-10-16(21)18-13-6-4-12(20)9-11(13)3-5-14(18)15(19)7-8-17(19)22/h9,13-18,21-22H,2-8,10H2,1H3/t13?,14-,15-,16-,17-,18+,19-/m0/s1
SMILES: C[C@H]([C@@H]1[C@H](NC1=O)CC(=O)[C@@H]2CC3=CC=CC=C3O2)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C21H31NO4Si/c1-13(26-27(5,6)21(2,3)4)19-15(22-20(19)24)12-16(23)18-11-14-9-7-8-10-17(14)25-18/h7-10,13,15,18-19H,11-12H2,1-6H3,(H,22,24)/t13-,15-,18+,19-/m1/s1
SMILES: CC(C)[C@@H]1[C@@H]2C[C@H]([C@H]1C=O)[C@@H]([C@H]2Br)O[C@@H](C3=CC=CC=C3)[C@H](C4=CC=CC=C4)O
InChI: InChI=1S/C25H29BrO3/c1-15(2)21-19-13-18(20(21)14-27)25(22(19)26)29-24(17-11-7-4-8-12-17)23(28)16-9-5-3-6-10-16/h3-12,14-15,18-25,28H,13H2,1-2H3/t18-,19+,20-,21-,22+,23+,24+,25+/m1/s1
SMILES: C[C@@H]1C=CC[C@@]2([C@H]1[C@@H](C(=O)N2C3=CC=C(C=C3)OC)O)C(=O)OC
InChI: InChI=1S/C18H21NO5/c1-11-5-4-10-18(17(22)24-3)14(11)15(20)16(21)19(18)12-6-8-13(23-2)9-7-12/h4-9,11,14-15,20H,10H2,1-3H3/t11-,14-,15+,18-/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@](C=C2C1)(C)O)CC[C@@H]4OC(=O)C)C)C
InChI: InChI=1S/C24H36O5/c1-14(25)28-17-8-10-22(3)16(12-17)13-24(5,27)21-18-6-7-20(29-15(2)26)23(18,4)11-9-19(21)22/h13,17-21,27H,6-12H2,1-5H3/t17-,18-,19-,20-,21-,22-,23-,24-/m0/s1
SMILES: CCOC(=O)C1[C@H]2[C@@H]1CC3=C(C2)C[C@H]4[C@@H](C3)C4C(=O)OCC
InChI: InChI=1S/C18H24O4/c1-3-21-17(19)15-11-5-9-7-13-14(8-10(9)6-12(11)15)16(13)18(20)22-4-2/h11-16H,3-8H2,1-2H3/t11-,12+,13+,14-,15?,16?
SMILES: C1[C@@H]2[C@H]3[C@@H]([C@@H]4[C@]1([C@H](C(=O)O2)N(O4)CC5=CC=CC=C5C=CC(=O)OCC(F)(F)F)C(=O)NCCO)OC6(O3)CC7=CC=CC=C7C6
InChI: InChI=1S/C32H31F3N2O9/c33-32(34,35)17-42-23(39)10-9-18-5-1-4-8-21(18)16-37-26-28(40)43-22-15-31(26,29(41)36-11-12-38)27(46-37)25-24(22)44-30(45-25)13-19-6-2-3-7-20(19)14-30/h1-10,22,24-27,38H,11-17H2,(H,36,41)/t22-,24+,25+,26+,27-,31+/m1/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)OC3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N.OS(=O)(=O)O
InChI: InChI=1S/C23H46N6O13.H2O4S/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22;1-5(2,3)4/h5-23,30-36H,1-4,24-29H2;(H2,1,2,3,4)/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21?,22-,23?;/m1./s1
SMILES: C[C@H](C1=CC=CC=C1)N([C@@H]2CCOC(C2)(C)C)C(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-]
InChI: InChI=1S/C23H33NO4/c1-16(17-9-5-4-6-10-17)24(18-13-14-28-23(2,3)15-18)21(25)19-11-7-8-12-20(19)22(26)27/h4-6,9-10,16,18-20H,7-8,11-15H2,1-3H3,(H,26,27)/p-1/t16-,18-,19-,20+/m1/s1
SMILES: CC(C)(C)OC(=O)N[C@@H](CCC[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)C(=O)OC
InChI: InChI=1S/C45H55NO9/c1-45(2,3)55-44(48)46-37(43(47)49-4)26-17-27-38-40(51-29-34-20-11-6-12-21-34)42(53-31-36-24-15-8-16-25-36)41(52-30-35-22-13-7-14-23-35)39(54-38)32-50-28-33-18-9-5-10-19-33/h5-16,18-25,37-42H,17,26-32H2,1-4H3,(H,46,48)/t37-,38-,39+,40+,41+,42+/m0/s1
SMILES: CCN(CC)S(=O)(=O)C1=CC=CC(=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)18-7-5-6-17(13-18)20-19(22)12-16-11-14-8-9-15(16)10-14/h5-7,13-16H,3-4,8-12H2,1-2H3,(H,20,22)/t14-,15-,16+/m0/s1
SMILES: C[C@]12C3=CC(=CC1=C4[C@H]5C6=C([C@@H](C4=C7[C@@]2(C(=CC(=C7)C(C)(C)C)C=C3)C)O5)C8=CC(=CC9=C1[C@@H]2C=C[C@H](C1=C1C=C(C=C6[C@@]1([C@@]89C)C)C(C)(C)C)O2)C(C)(C)C)C(C)(C)C
InChI: InChI=1S/C58H64O2/c1-51(2,3)31-21-29-17-18-30-22-32(52(4,5)6)24-38-46-45(37(23-31)55(29,13)56(30,38)14)49-47-39-27-33(53(7,8)9)25-35-43-41-19-20-42(59-41)44(43)36-26-34(54(10,11)12)28-40(48(47)50(46)60-49)58(36,16)57(35,39)15/h17-28,41-42,49-50H,1-16H3/t41-,42+,49+,50-,55-,56-,57+,58+/m0/s1
SMILES: C1C[NH2+]C[C@@H]([C@H]1C2=CC=C(C=C2)F)CO.C1=CC=C(C(=C1)NC(=O)[C@H]([C@@H](C(=O)[O-])O)O)Cl.O
InChI: InChI=1S/C12H16FNO.C10H10ClNO5.H2O/c13-11-3-1-9(2-4-11)12-5-6-14-7-10(12)8-15;11-5-3-1-2-4-6(5)12-9(15)7(13)8(14)10(16)17;/h1-4,10,12,14-15H,5-8H2;1-4,7-8,13-14H,(H,12,15)(H,16,17);1H2/t10-,12-;7-,8-;/m10./s1
SMILES: C1[C@H]([C@@H]1C(=O)OCC2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI: InChI=1S/C18H16O3/c19-17(14-9-5-2-6-10-14)15-11-16(15)18(20)21-12-13-7-3-1-4-8-13/h1-10,15-16H,11-12H2/t15-,16-/m1/s1
SMILES: CC(=O)O[C@H]1C(=CC2=CC=NC=C2)C[C@@H]3[C@@]1(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)N6CCCC6)C)C
InChI: InChI=1S/C31H42N2O2/c1-21(34)35-29-23(18-22-10-14-32-15-11-22)19-28-26-7-6-24-20-25(33-16-4-5-17-33)8-12-30(24,2)27(26)9-13-31(28,29)3/h6,10-11,14-15,18,25-29H,4-5,7-9,12-13,16-17,19-20H2,1-3H3/t25-,26+,27-,28-,29-,30-,31-/m0/s1
SMILES: CC1=CC2=C(C=C1)N3[C@H](C=C2)[C@@]4([C@H]([C@H]3C(=O)C5=CC=C(C=C5)Cl)C(=O)C6=CC=CC=C6F)C7=CC=CC=C7NC4=O
InChI: InChI=1S/C34H24ClFN2O3/c1-19-10-16-27-21(18-19)13-17-28-34(24-7-3-5-9-26(24)37-33(34)41)29(32(40)23-6-2-4-8-25(23)36)30(38(27)28)31(39)20-11-14-22(35)15-12-20/h2-18,28-30H,1H3,(H,37,41)/t28-,29-,30+,34-/m1/s1
SMILES: C[C@H]([C@H]1[C@@H]2CC(=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)C3=CC4=C(C=C3)NC(=O)C4)O
InChI: InChI=1S/C23H26N2O7/c1-11(26)18-16-9-14(12-5-6-15-13(7-12)8-17(27)24-15)19(25(16)20(18)28)21(29)31-10-32-22(30)23(2,3)4/h5-7,11,16,18,26H,8-10H2,1-4H3,(H,24,27)/t11-,16+,18+/m1/s1
SMILES: CC1=CC=C(C=C1)SC[C@@H]2CCCC[C@@H]2NC(=O)CNC(=O)C3=C(C=CC(=C3)C(F)(F)F)NC(=O)OC(C)(C)C
InChI: InChI=1S/C29H36F3N3O4S/c1-18-9-12-21(13-10-18)40-17-19-7-5-6-8-23(19)34-25(36)16-33-26(37)22-15-20(29(30,31)32)11-14-24(22)35-27(38)39-28(2,3)4/h9-15,19,23H,5-8,16-17H2,1-4H3,(H,33,37)(H,34,36)(H,35,38)/t19-,23-/m0/s1
SMILES: CC(=O)NC1=CC=C(C=C1)C2=CC=C(C=C2)N3C(=O)[C@H]4[C@H](C3=O)C5C6=CC=CC=C6C4C7=CC=CC=C57
InChI: InChI=1S/C32H24N2O3/c1-18(35)33-21-14-10-19(11-15-21)20-12-16-22(17-13-20)34-31(36)29-27-23-6-2-3-7-24(23)28(30(29)32(34)37)26-9-5-4-8-25(26)27/h2-17,27-30H,1H3,(H,33,35)/t27?,28?,29-,30-/m1/s1
SMILES: CC1(O[C@@H]2C[C@]3([C@@H]4CCC[C@@H]4[C@H]3C(=O)[C@@H]2O1)C(=O)OC)C
InChI: InChI=1S/C16H22O5/c1-15(2)20-10-7-16(14(18)19-3)9-6-4-5-8(9)11(16)12(17)13(10)21-15/h8-11,13H,4-7H2,1-3H3/t8-,9+,10+,11-,13+,16+/m0/s1
SMILES: C[C@@]12[C@@H](C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]1C5=CC=C(O5)CO)C(=O)N(C4=O)C6=CC=C(C=C6)NC7=CC=CC=C7)C(=O)N(C2=O)C8=CC(=C(C=C8)F)Cl
InChI: InChI=1S/C38H31ClFN3O6/c1-38-28(35(46)43(37(38)48)23-11-15-30(40)29(39)17-23)18-27-25(33(38)31-16-12-24(19-44)49-31)13-14-26-32(27)36(47)42(34(26)45)22-9-7-21(8-10-22)41-20-5-3-2-4-6-20/h2-13,15-17,26-28,32-33,41,44H,14,18-19H2,1H3/t26-,27+,28-,32-,33+,38+/m0/s1
SMILES: CC(=O)O[C@@H]1CN2[C@H]([C@@H]1OC(=O)C)C(N=N2)(S(=O)(=O)CC3=CC=CC=C3)S(=O)(=O)CC4=CC=CC=C4
InChI: InChI=1S/C23H25N3O8S2/c1-16(27)33-20-13-26-22(21(20)34-17(2)28)23(24-25-26,35(29,30)14-18-9-5-3-6-10-18)36(31,32)15-19-11-7-4-8-12-19/h3-12,20-22H,13-15H2,1-2H3/t20-,21-,22-/m1/s1
SMILES: CNC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@@H]1[C@@H](CC2=CC=CC=C12)O)OCC3=CC=CC=C3)O)O)OCC4=CC=CC=C4
InChI: InChI=1S/C30H34N2O7/c1-31-29(36)27(38-17-19-10-4-2-5-11-19)25(34)26(35)28(39-18-20-12-6-3-7-13-20)30(37)32-24-22-15-9-8-14-21(22)16-23(24)33/h2-15,23-28,33-35H,16-18H2,1H3,(H,31,36)(H,32,37)/t23-,24+,25-,26-,27-,28-/m1/s1
SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CCC(=O)O2)CCC4=CC(=O)C=C[C@]34C)O
InChI: InChI=1S/C19H24O4/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)23-19(14,2)10-15(21)17(13)18/h7-9,13-15,17,21H,3-6,10H2,1-2H3/t13-,14-,15-,17+,18-,19-/m0/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=CC(=C4)Br)O)Cl)CBr)Cl)[C@@H]5[C@H]1C(=O)N(C5=O)C(=O)N
InChI: InChI=1S/C22H17Br2Cl2N3O6/c23-7-28-18(33)21(25)6-12-9(2-3-10-14(12)17(32)29(16(10)31)20(27)35)15(22(21,26)19(28)34)11-5-8(24)1-4-13(11)30/h1-2,4-5,10,12,14-15,30H,3,6-7H2,(H2,27,35)/t10-,12+,14-,15+,21+,22-/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)S[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2SC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C28H38O17S2/c1-11(29)37-9-19-21(39-13(3)31)23(41-15(5)33)25(43-17(7)35)27(44-19)47-26-24(42-16(6)34)22(40-14(4)32)20(10-38-12(2)30)45-28(26)46-18(8)36/h19-28H,9-10H2,1-8H3/t19-,20-,21-,22-,23+,24+,25-,26-,27-,28+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]
InChI: InChI=1S/C15H20N2O3/c1-10-5-3-4-6-13(10)16-15(18)12-8-7-11(2)14(9-12)17(19)20/h7-10,13H,3-6H2,1-2H3,(H,16,18)/t10-,13-/m0/s1
SMILES: C[C@@]1([C@H]2C[C@H](C2(C)C)CC1=N[C@]3(C[C@@H]3C=C)C#N)O
InChI: InChI=1S/C16H22N2O/c1-5-10-8-16(10,9-17)18-13-7-11-6-12(14(11,2)3)15(13,4)19/h5,10-12,19H,1,6-8H2,2-4H3/t10-,11-,12-,15-,16+/m0/s1
SMILES: C[C@@H]([C@@H]1[C@H](NC1=O)CC=C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C14H27NO2Si/c1-8-9-11-12(13(16)15-11)10(2)17-18(6,7)14(3,4)5/h8,10-12H,1,9H2,2-7H3,(H,15,16)/t10-,11+,12+/m0/s1
SMILES: CCN1C(=O)C2=CC=CC=C2N=C1S[C@H](C)C(=O)N[C@H]3CCCC[C@@H]3C
InChI: InChI=1S/C20H27N3O2S/c1-4-23-19(25)15-10-6-8-12-17(15)22-20(23)26-14(3)18(24)21-16-11-7-5-9-13(16)2/h6,8,10,12-14,16H,4-5,7,9,11H2,1-3H3,(H,21,24)/t13-,14+,16-/m0/s1
SMILES: CC1(COC(=O)[C@@H]1OC(=O)C=CC2=CC=CC(=C2)CN3[C@H]4C(=O)O[C@@H]5C[C@]4([C@H](O3)[C@@H]6[C@H]5OC(O6)(C7CC7)C8CC8)C(=O)NCCC(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)C
InChI: InChI=1S/C44H57N3O14/c1-41(2,3)58-32(51)16-14-28(22-48)46-30(49)17-18-45-40(54)43-20-29-33-34(60-44(59-33,26-10-11-26)27-12-13-27)36(43)61-47(35(43)38(52)56-29)21-25-8-6-7-24(19-25)9-15-31(50)57-37-39(53)55-23-42(37,4)5/h6-9,15,19,26-29,33-37,48H,10-14,16-18,20-23H2,1-5H3,(H,45,54)(H,46,49)/t28-,29+,33-,34-,35-,36+,37-,43-/m0/s1
SMILES: C/C(=C\[C@@H](C[C@@]1([C@H]2CC[C@@]([C@@H]1C2)(C)O[Si](C)(C)C)COC(=O)C)O)/C(=O)OC
InChI: InChI=1S/C21H36O6Si/c1-14(19(24)25-4)10-17(23)12-21(13-26-15(2)22)16-8-9-20(3,18(21)11-16)27-28(5,6)7/h10,16-18,23H,8-9,11-13H2,1-7H3/b14-10+/t16-,17-,18-,20+,21-/m0/s1
SMILES: CCCC[Sn](CCCC)(CCCC)/C=C\1/[C@@H](CN2[C@H]1[C@@H](C2=O)OCC3=CC=CC=C3)CC(=O)OC
InChI: InChI=1S/C17H18NO4.3C4H9.Sn/c1-11-13(8-14(19)21-2)9-18-15(11)16(17(18)20)22-10-12-6-4-3-5-7-12;3*1-3-4-2;/h1,3-7,13,15-16H,8-10H2,2H3;3*1,3-4H2,2H3;/t13-,15-,16+;;;;/m1..../s1
SMILES: C[C@H]1[C@H](OC(O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CN)CSC4=CC=CC=C4N
InChI: InChI=1S/C26H30N2O3S/c1-17-23(16-32-24-5-3-2-4-22(24)28)30-26(21-12-6-18(14-27)7-13-21)31-25(17)20-10-8-19(15-29)9-11-20/h2-13,17,23,25-26,29H,14-16,27-28H2,1H3/t17-,23+,25+,26?/m0/s1
SMILES: CN1[C@H]2CC[C@H]1[C@@H](CC2)OC(=O)[C@](C3CCCC3)(C4=CC=CS4)O.Cl
InChI: InChI=1S/C19H27NO3S.ClH/c1-20-14-8-10-15(20)16(11-9-14)23-18(21)19(22,13-5-2-3-6-13)17-7-4-12-24-17;/h4,7,12-16,22H,2-3,5-6,8-11H2,1H3;1H/t14-,15-,16+,19-;/m0./s1
SMILES: CCN1C[C@@]2(CCC([C@@]34C2[C@@H]([C@@]5(C31)C6(C[C@@H](C7CC4(C6C7OC)O)OC)OCO5)OC(=O)C8=CC=CC=C8)OC)C
InChI: InChI=1S/C32H43NO8/c1-6-33-16-28(2)13-12-21(37-4)31-24(28)25(41-26(34)18-10-8-7-9-11-18)32(27(31)33)30(39-17-40-32)15-20(36-3)19-14-29(31,35)23(30)22(19)38-5/h7-11,19-25,27,35H,6,12-17H2,1-5H3/t19?,20-,21?,22?,23?,24?,25-,27?,28-,29?,30?,31+,32+/m0/s1
SMILES: CC(CC1=CC=CC=C1)C(C(=C)CC[C@]23[C@@H]([C@H]([C@](O2)([C@@]([C@H](O3)C(=O)O)(C(=O)O)O)C(=O)O)OC(=O)CCC(=O)O)O)OC(=O)C
InChI: InChI=1S/C29H34O16/c1-14(20(42-16(3)30)15(2)13-17-7-5-4-6-8-17)11-12-27-21(34)22(43-19(33)10-9-18(31)32)29(45-27,26(39)40)28(41,25(37)38)23(44-27)24(35)36/h4-8,15,20-23,34,41H,1,9-13H2,2-3H3,(H,31,32)(H,35,36)(H,37,38)(H,39,40)/t15?,20?,21-,22-,23-,27-,28-,29-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CSC2=NN=C(S2)NCC3=CC=CO3
InChI: InChI=1S/C17H23N5O3S2/c1-11-5-2-3-7-13(11)19-15(24)20-14(23)10-26-17-22-21-16(27-17)18-9-12-6-4-8-25-12/h4,6,8,11,13H,2-3,5,7,9-10H2,1H3,(H,18,21)(H2,19,20,23,24)/t11-,13-/m0/s1
SMILES: CC1=CC(=C(C=C1)N2C(=O)[C@@H]3[C@@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC=CC=C5OCC(=O)O)C
InChI: InChI=1S/C27H24N2O6/c1-16-12-13-20(17(2)14-16)28-26(32)23-24(19-10-6-7-11-21(19)34-15-22(30)31)29(35-25(23)27(28)33)18-8-4-3-5-9-18/h3-14,23-25H,15H2,1-2H3,(H,30,31)/t23-,24+,25+/m1/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=CC=CC(=C6)C(F)(F)F
InChI: InChI=1S/C27H15BrF3NO5/c28-15-10-8-13(9-11-15)21-19-20(26(37-21)22(33)17-6-1-2-7-18(17)23(26)34)25(36)32(24(19)35)16-5-3-4-14(12-16)27(29,30)31/h1-12,19-21H/t19-,20-,21+/m1/s1
SMILES: C1CC2=CC=CC=C2C3=NC4=CC=CC=C4S[C@H]([C@@H]31)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C23H18ClNS/c24-17-12-9-16(10-13-17)23-19-14-11-15-5-1-2-6-18(15)22(19)25-20-7-3-4-8-21(20)26-23/h1-10,12-13,19,23H,11,14H2/t19-,23+/m1/s1
SMILES: C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)CC#N
InChI: InChI=1S/C11H13N3O5/c12-3-1-6-9(17)7(5-15)19-10(6)14-4-2-8(16)13-11(14)18/h2,4,6-7,9-10,15,17H,1,5H2,(H,13,16,18)/t6-,7-,9+,10-/m1/s1