EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCCCC(=O)N(CCC1=CC(=CC=C1)OC)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=C3C=C(C=C4OC)CO)C(=O)NCCO
InChI: InChI=1S/C31H40N2O8/c1-4-5-9-26(36)33(12-10-19-7-6-8-21(14-19)39-2)24-17-23(31(38)32-11-13-34)27-22-15-20(18-35)16-25(40-3)29(22)41-30(27)28(24)37/h6-8,14-17,24,27-28,30,34-35,37H,4-5,9-13,18H2,1-3H3,(H,32,38)/t24-,27+,28+,30+/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)C2=CN=C(C=C2)Cl
InChI: InChI=1S/C17H23ClN2O3/c1-10-5-4-6-14(11(10)2)20-16(21)12(3)23-17(22)13-7-8-15(18)19-9-13/h7-12,14H,4-6H2,1-3H3,(H,20,21)/t10-,11-,12-,14+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1N2C(=O)C(=O)N(C2=O)CC(=O)NCC3=CC=C(C=C3)F
InChI: InChI=1S/C19H22FN3O4/c1-12-4-2-3-5-15(12)23-18(26)17(25)22(19(23)27)11-16(24)21-10-13-6-8-14(20)9-7-13/h6-9,12,15H,2-5,10-11H2,1H3,(H,21,24)/t12-,15+/m1/s1
SMILES: C/C/1=C\CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)[C@@H](C(=O)O3)CN(C)C)C
InChI: InChI=1S/C17H27NO3/c1-11-6-5-9-17(2)15(21-17)14-12(8-7-11)13(10-18(3)4)16(19)20-14/h6,12-15H,5,7-10H2,1-4H3/b11-6+/t12-,13-,14-,15-,17+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)NC(=O)COC(=O)/C=C/C2=CC=CC=C2OC
InChI: InChI=1S/C20H26N2O5/c1-14-7-3-5-9-16(14)21-20(25)22-18(23)13-27-19(24)12-11-15-8-4-6-10-17(15)26-2/h4,6,8,10-12,14,16H,3,5,7,9,13H2,1-2H3,(H2,21,22,23,25)/b12-11+/t14-,16+/m0/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@@H]([C@H]3C=CC4=CC=CC=C4N3[C@@H]2C(=O)C5=CC(=CC=C5)[N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C25H19N3O5/c29-25(18-10-6-11-19(15-18)27(30)31)24-22(17-8-2-1-3-9-17)23(28(32)33)21-14-13-16-7-4-5-12-20(16)26(21)24/h1-15,21-24H/t21-,22+,23-,24+/m1/s1
SMILES: CCCCCC/C=C\C(=O)[C@@H]1CCCC[C@]12CC[C@H](N2C(=O)OC(C)(C)C)COCC3=CC=CC=C3
InChI: InChI=1S/C31H47NO4/c1-5-6-7-8-9-13-19-28(33)27-18-14-15-21-31(27)22-20-26(32(31)29(34)36-30(2,3)4)24-35-23-25-16-11-10-12-17-25/h10-13,16-17,19,26-27H,5-9,14-15,18,20-24H2,1-4H3/b19-13-/t26-,27-,31-/m0/s1
SMILES: CCO[C@@H]1[C@@H]([C@@H]2CC[C@H]([C@H]3C24[C@H](O1)O[C@](CC3)(OO4)C)C)C.CCO[C@H]1[C@@H]([C@@H]2CC[C@H]([C@H]3C24[C@H](O1)O[C@](CC3)(OO4)C)C)C
InChI: InChI=1S/2C17H28O5/c2*1-5-18-14-11(3)13-7-6-10(2)12-8-9-16(4)20-15(19-14)17(12,13)22-21-16/h2*10-15H,5-9H2,1-4H3/t10-,11-,12+,13+,14+,15-,16+,17?;10-,11-,12+,13+,14-,15-,16+,17?/m11/s1
SMILES: CN1C(=O)N2[C@@H]3C=C[C@H](N2C1=O)[C@@H]4[C@H]3C4C(=O)C5=CC=C(C=C5)OC
InChI: InChI=1S/C18H17N3O4/c1-19-17(23)20-11-7-8-12(21(20)18(19)24)14-13(11)15(14)16(22)9-3-5-10(25-2)6-4-9/h3-8,11-15H,1-2H3/t11-,12+,13+,14-,15?
SMILES: CCCCCCCCCCCCC[C@H]1C[C@H]([C@H](CN1C(=O)C)NC(=O)C)OC(=O)C
InChI: InChI=1S/C24H44N2O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-22-17-24(30-21(4)29)23(25-19(2)27)18-26(22)20(3)28/h22-24H,5-18H2,1-4H3,(H,25,27)/t22-,23-,24+/m0/s1
SMILES: CC(C)OP1(=O)C[C@@H](O[C@@H]([C@H]1O[Si](C)(C)C(C)(C)C)COC(=O)C)OC(=O)C
InChI: InChI=1S/C18H35O8PSi/c1-12(2)25-27(21)11-16(23-14(4)20)24-15(10-22-13(3)19)17(27)26-28(8,9)18(5,6)7/h12,15-17H,10-11H2,1-9H3/t15-,16-,17+,27?/m1/s1
SMILES: COC1=C(C(=CC(=C1)CO)I)O[C@H]2C=C(C[C@H]([C@@H]2O)N(CC3=COC=C3)C(=O)C4CC4)C(=O)NCCO
InChI: InChI=1S/C26H31IN2O8/c1-35-22-9-16(13-31)8-19(27)24(22)37-21-11-18(25(33)28-5-6-30)10-20(23(21)32)29(26(34)17-2-3-17)12-15-4-7-36-14-15/h4,7-9,11,14,17,20-21,23,30-32H,2-3,5-6,10,12-13H2,1H3,(H,28,33)/t20-,21+,23+/m1/s1
SMILES: CC1=CC(=O)[C@@]2([C@H](C1=O)C[C@@H]3C(=CCN4N3C(=O)N(C4=O)C)[C@@H]2C5=CC(=C(C(=C5)I)O)OC)C
InChI: InChI=1S/C24H24IN3O6/c1-11-7-18(29)24(2)14(20(11)30)10-16-13(5-6-27-22(32)26(3)23(33)28(16)27)19(24)12-8-15(25)21(31)17(9-12)34-4/h5,7-9,14,16,19,31H,6,10H2,1-4H3/t14-,16+,19-,24-/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C[C@@](C3CCC(=C)C3[C@H]2OC1=O)(C)O)OC(=O)C
InChI: InChI=1S/C17H24O5/c1-8-5-6-11-13(8)15-14(9(2)16(19)22-15)12(21-10(3)18)7-17(11,4)20/h9,11-15,20H,1,5-7H2,2-4H3/t9-,11?,12+,13?,14-,15-,17-/m1/s1
SMILES: CC1=CC(=NO1)C(=O)OC2=CC=CC=C2[C@@H]3C[C@@]4(CC(=O)N[C@@H]4N3C(=O)C)C
InChI: InChI=1S/C20H21N3O5/c1-11-8-14(22-28-11)18(26)27-16-7-5-4-6-13(16)15-9-20(3)10-17(25)21-19(20)23(15)12(2)24/h4-8,15,19H,9-10H2,1-3H3,(H,21,25)/t15-,19+,20+/m0/s1
SMILES: CC1=CC(=C(C(=C1)OC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)C)C
InChI: InChI=1S/C20H25NO4/c1-12-10-13(2)14(3)17(11-12)25-18(22)8-9-21-19(23)15-6-4-5-7-16(15)20(21)24/h10-11,15-16H,4-9H2,1-3H3/t15-,16-/m0/s1
SMILES: C[C@@H]1CC[C@H](C[C@]1([C@@H]2C[C@H](OC2=O)[C@H](COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)O)C(=C)C
InChI: InChI=1S/C30H34O7/c1-19(2)23-15-14-20(3)30(34,17-23)24-16-25(36-29(24)33)26(37-28(32)22-12-8-5-9-13-22)18-35-27(31)21-10-6-4-7-11-21/h4-13,20,23-26,34H,1,14-18H2,2-3H3/t20-,23-,24-,25+,26+,30+/m1/s1
SMILES: CC1=CC2=CC(=C(O2)[C@H]([C@@H](CCC3=C[C@H](C1)OC3=O)C(=C)C)O)C
InChI: InChI=1S/C20H24O4/c1-11(2)17-6-5-14-10-16(24-20(14)22)8-12(3)7-15-9-13(4)19(23-15)18(17)21/h7,9-10,16-18,21H,1,5-6,8H2,2-4H3/t16-,17-,18-/m0/s1
SMILES: C/C(=C\CC[C@@H]1[C@]2(CCCC([C@@H]2CC[C@@]1(C)OCOC)(C)C)C)/CC[C@@H]3C(=C)CCCC3(C)C
InChI: InChI=1S/C32H56O2/c1-24(16-17-26-25(2)14-11-19-29(26,3)4)13-10-15-28-31(7)21-12-20-30(5,6)27(31)18-22-32(28,8)34-23-33-9/h13,26-28H,2,10-12,14-23H2,1,3-9H3/b24-13+/t26-,27+,28-,31+,32-/m1/s1
SMILES: C1CN2C[C@@H]([C@H]1C[C@@H]2CN3C=C(N=N3)C4=CC(=CC=C4)N)C(=O)NCC5=CC=CC=C5
InChI: InChI=1S/C24H28N6O/c25-20-8-4-7-19(11-20)23-16-30(28-27-23)14-21-12-18-9-10-29(21)15-22(18)24(31)26-13-17-5-2-1-3-6-17/h1-8,11,16,18,21-22H,9-10,12-15,25H2,(H,26,31)/t18-,21-,22+/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)N2CNC(=[N+](C2)C3=CC=CC=C3)NC4=CC=CC=C4
InChI: InChI=1S/C23H30N4/c1-18-10-9-15-22(19(18)2)26-16-24-23(25-20-11-5-3-6-12-20)27(17-26)21-13-7-4-8-14-21/h3-8,11-14,18-19,22H,9-10,15-17H2,1-2H3,(H,24,25)/p+1/t18-,19-,22+/m0/s1
SMILES: CC1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](N(O[C@H]3C2=O)C4=CC=CC=C4C)C5=CC=CS5
InChI: InChI=1S/C23H20N2O3S/c1-14-9-11-16(12-10-14)24-22(26)19-20(18-8-5-13-29-18)25(28-21(19)23(24)27)17-7-4-3-6-15(17)2/h3-13,19-21H,1-2H3/t19-,20-,21-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)C2=C(C=C(C=C2)OC)OC
InChI: InChI=1S/C18H25NO5/c1-12-6-4-5-7-15(12)19-17(20)11-24-18(21)14-9-8-13(22-2)10-16(14)23-3/h8-10,12,15H,4-7,11H2,1-3H3,(H,19,20)/t12-,15-/m1/s1
SMILES: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H](O[C@H]3[C@H]2O[C@@H](OC3)C4=CC=CC=C4)OC)NC(=O)C)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7
InChI: InChI=1S/C43H49NO10/c1-28-36(47-24-30-16-8-4-9-17-30)39(48-25-31-18-10-5-11-19-31)40(49-26-32-20-12-6-13-21-32)43(51-28)54-38-35(44-29(2)45)42(46-3)52-34-27-50-41(53-37(34)38)33-22-14-7-15-23-33/h4-23,28,34-43H,24-27H2,1-3H3,(H,44,45)/t28-,34+,35+,36+,37+,38+,39+,40-,41+,42-,43-/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)CSC2=NN=C(N2C3CC3)CC4=CC=CS4
InChI: InChI=1S/C20H28N4OS2/c1-13-5-3-7-17(14(13)2)21-19(25)12-27-20-23-22-18(24(20)15-8-9-15)11-16-6-4-10-26-16/h4,6,10,13-15,17H,3,5,7-9,11-12H2,1-2H3,(H,21,25)/t13-,14-,17+/m1/s1
SMILES: CC1=CC2=C(C=C1)N([C@H]3[C@@H]2C[NH+](CC3)C)C(=S)NC4=CC=C(C=C4)S(=O)(=O)N5CCOCC5
InChI: InChI=1S/C24H30N4O3S2/c1-17-3-8-22-20(15-17)21-16-26(2)10-9-23(21)28(22)24(32)25-18-4-6-19(7-5-18)33(29,30)27-11-13-31-14-12-27/h3-8,15,21,23H,9-14,16H2,1-2H3,(H,25,32)/p+1/t21-,23-/m1/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O.C1=CC(=C(C=C1/C=C/C(=O)O)O)O.C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
InChI: InChI=1S/C9H8O4.C6H12O6.C6H12O5/c10-7-3-1-6(5-8(7)11)2-4-9(12)13;7-1-2-3(8)4(9)5(10)6(11)12-2;1-2-3(7)4(8)5(9)6(10)11-2/h1-5,10-11H,(H,12,13);2-11H,1H2;2-10H,1H3/b4-2+;;/t;2-,3-,4+,5-,6-;2-,3-,4+,5+,6+/m.10/s1
SMILES: COC1=CC(=CC2=C1O[C@H]3[C@@H]2C(=C[C@H]([C@@H]3O)N(C4CCCCCC4)C(=O)CCC5CCCC5)C(=O)NCCO)C=O
InChI: InChI=1S/C32H44N2O7/c1-40-26-17-21(19-36)16-23-28-24(32(39)33-14-15-35)18-25(29(38)31(28)41-30(23)26)34(22-10-4-2-3-5-11-22)27(37)13-12-20-8-6-7-9-20/h16-20,22,25,28-29,31,35,38H,2-15H2,1H3,(H,33,39)/t25-,28+,29+,31+/m1/s1
SMILES: CCC1=NN2CCCCC2=C1C3CCN(CC3)C[C@H]4CN(C[C@@H]4C5=CC(=CC=C5)F)CC6(C[C@H]7C[C@@H]7C6)C(=O)O
InChI: InChI=1S/C33H45FN4O2/c1-2-29-31(30-8-3-4-11-38(30)35-29)22-9-12-36(13-10-22)18-26-19-37(20-28(26)23-6-5-7-27(34)15-23)21-33(32(39)40)16-24-14-25(24)17-33/h5-7,15,22,24-26,28H,2-4,8-14,16-21H2,1H3,(H,39,40)/t24-,25-,26+,28-/m1/s1
SMILES: CC(=O)[C@H]1[C@@H](CC[C@@H]2[C@@H]1[C@@H]3[C@H](O2)OC(O3)(C)C)OC(=O)C
InChI: InChI=1S/C15H22O6/c1-7(16)11-9(18-8(2)17)5-6-10-12(11)13-14(19-10)21-15(3,4)20-13/h9-14H,5-6H2,1-4H3/t9-,10-,11+,12+,13-,14-/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)COC2=NC=NC3=C2C=C(C=C3)Br
InChI: InChI=1S/C18H22BrN3O2/c1-11-4-3-5-15(12(11)2)22-17(23)9-24-18-14-8-13(19)6-7-16(14)20-10-21-18/h6-8,10-12,15H,3-5,9H2,1-2H3,(H,22,23)/t11-,12+,15+/m1/s1
SMILES: CCCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@]4(C(=O)N(C(=O)[C@]4([C@H]3C5=C(C=C(C=C5OC)OC)O)Cl)CBr)Cl
InChI: InChI=1S/C26H27BrCl2N2O7/c1-4-7-30-21(33)14-6-5-13-15(18(14)22(30)34)10-25(28)23(35)31(11-27)24(36)26(25,29)20(13)19-16(32)8-12(37-2)9-17(19)38-3/h5,8-9,14-15,18,20,32H,4,6-7,10-11H2,1-3H3/t14-,15+,18-,20+,25+,26-/m0/s1
SMILES: C[C@@H]1CC(=CC[C@H]1C(=O)N2[C@@H](COC2=O)C(C3=CC=CC=C3)C4=CC=CC=C4)C
InChI: InChI=1S/C25H27NO3/c1-17-13-14-21(18(2)15-17)24(27)26-22(16-29-25(26)28)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-13,18,21-23H,14-16H2,1-2H3/t18-,21-,22+/m1/s1
SMILES: COC1=CC=C(C=C1)[C@H]2[C@H]3CSC4=CC=CC=C4C3=NC5=CC=CC=C5S2
InChI: InChI=1S/C23H19NOS2/c1-25-16-12-10-15(11-13-16)23-18-14-26-20-8-4-2-6-17(20)22(18)24-19-7-3-5-9-21(19)27-23/h2-13,18,23H,14H2,1H3/t18-,23-/m0/s1
SMILES: C[C@H](C(=O)C1=CNC2=CC=CC=C21)OC(=O)CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C21H22N2O5/c1-12(19(25)16-10-22-17-9-5-4-6-13(16)17)28-18(24)11-23-20(26)14-7-2-3-8-15(14)21(23)27/h4-6,9-10,12,14-15,22H,2-3,7-8,11H2,1H3/t12-,14-,15+/m1/s1
SMILES: C[C@]12CCC3C(C1CC[C@@H]2O)CCC4=C(C(=O)CC[C@]34C)SCC(=O)O
InChI: InChI=1S/C21H30O4S/c1-20-10-8-16(22)19(26-11-18(24)25)15(20)4-3-12-13-5-6-17(23)21(13,2)9-7-14(12)20/h12-14,17,23H,3-11H2,1-2H3,(H,24,25)/t12?,13?,14?,17-,20+,21-/m0/s1
SMILES: CN1CCN(CC1)C(=O)[C@@H]2[C@@H]3C[C@H]([C@H]2C(=O)O)C=C3
InChI: InChI=1S/C14H20N2O3/c1-15-4-6-16(7-5-15)13(17)11-9-2-3-10(8-9)12(11)14(18)19/h2-3,9-12H,4-8H2,1H3,(H,18,19)/t9-,10+,11+,12+/m0/s1
SMILES: C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC=C(C=C4)F
InChI: InChI=1S/C22H17FO7/c23-13-4-1-11(2-5-13)22(28)30-20-10-15-17(26)8-14(24)9-19(15)29-21(20)12-3-6-16(25)18(27)7-12/h1-9,20-21,24-27H,10H2/t20-,21+/m0/s1
SMILES: CC(=O)O[C@H]1[C@H](N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3OC.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChI: InChI=1S/C18H17NO4.3CO.Cr/c1-12(20)23-17-16(14-10-6-7-11-15(14)22-2)19(18(17)21)13-8-4-3-5-9-13;3*1-2;/h3-11,16-17H,1-2H3;;;;/t16-,17+;;;;/m1..../s1
SMILES: C1COCCN1C2=C(C=C(C=C2)N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)C(=O)O
InChI: InChI=1S/C19H20N2O5/c22-17-13-3-1-2-4-14(13)18(23)21(17)12-5-6-16(15(11-12)19(24)25)20-7-9-26-10-8-20/h1-2,5-6,11,13-14H,3-4,7-10H2,(H,24,25)/t13-,14-/m0/s1
SMILES: C=C1C[S@@](=O)[C@@H]2[C@@H](C(=O)N2C1C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)OCC4=CC=CC=C4
InChI: InChI=1S/C23H21N3O8S/c1-14-13-35(32)21-18(24-23(29)34-12-15-5-3-2-4-6-15)20(27)25(21)19(14)22(28)33-11-16-7-9-17(10-8-16)26(30)31/h2-10,18-19,21H,1,11-13H2,(H,24,29)/t18-,19?,21-,35-/m1/s1
SMILES: C[C@H]1CC(=O)[C@H]([C@@H]1C[N+](=O)[O-])CC(=O)OCC(=O)NC2=CC(=C(C=C2)OC)OC
InChI: InChI=1S/C19H24N2O8/c1-11-6-15(22)13(14(11)9-21(25)26)8-19(24)29-10-18(23)20-12-4-5-16(27-2)17(7-12)28-3/h4-5,7,11,13-14H,6,8-10H2,1-3H3,(H,20,23)/t11-,13-,14+/m0/s1
SMILES: CC(C)(C)[C@@H]1N([C@@H]2[C@H](O1)C(=O)C2(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC(C)(C)C
InChI: InChI=1S/C26H31NO4/c1-24(2,3)22-27(23(29)31-25(4,5)6)20-19(30-22)21(28)26(20,17-13-9-7-10-14-17)18-15-11-8-12-16-18/h7-16,19-20,22H,1-6H3/t19-,20+,22+/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)CCCCCNC(=O)C)CN4CCC5(CC4)C(=O)NCN5C6=CC=CC=C6
InChI: InChI=1S/C41H53N5O6/c1-29-36(26-45-23-20-41(21-24-45)40(50)44-28-46(41)35-9-5-3-6-10-35)51-39(52-38(29)33-16-14-32(27-47)15-17-33)34-18-12-31(13-19-34)25-43-37(49)11-7-4-8-22-42-30(2)48/h3,5-6,9-10,12-19,29,36,38-39,47H,4,7-8,11,20-28H2,1-2H3,(H,42,48)(H,43,49)(H,44,50)/t29-,36+,38+,39+/m1/s1
SMILES: C[C@@]12CC[C@H]([C@@]([C@H]1CC3=C([C@H]2CC(=O)NCC[NH+](C)C)N=C(S3)NC(=O)C4CCC4)(C)CO)O
InChI: InChI=1S/C25H40N4O4S/c1-24-9-8-19(31)25(2,14-30)18(24)13-17-21(16(24)12-20(32)26-10-11-29(3)4)27-23(34-17)28-22(33)15-6-5-7-15/h15-16,18-19,30-31H,5-14H2,1-4H3,(H,26,32)(H,27,28,33)/p+1/t16-,18+,19-,24+,25+/m1/s1
SMILES: CCCCSC1([C@@]2(C3=C(CCC3)N[C@@H]([C@]2(C(=N1)N)C#N)C4=CC=CC=C4)C#N)SCCCC
InChI: InChI=1S/C26H33N5S2/c1-3-5-15-32-26(33-16-6-4-2)25(18-28)20-13-10-14-21(20)30-22(19-11-8-7-9-12-19)24(25,17-27)23(29)31-26/h7-9,11-12,22,30H,3-6,10,13-16H2,1-2H3,(H2,29,31)/t22-,24+,25-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)[C@@H]2COC3=CC=CC=C3O2
InChI: InChI=1S/C19H25NO5/c1-12-7-3-4-8-14(12)20-18(21)13(2)24-19(22)17-11-23-15-9-5-6-10-16(15)25-17/h5-6,9-10,12-14,17H,3-4,7-8,11H2,1-2H3,(H,20,21)/t12-,13+,14-,17-/m0/s1
SMILES: CCCCCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI: InChI=1S/C17H24N2O5/c1-2-3-4-5-6-12-7-11-9-19(17(22)18-16(11)23-12)15-8-13(21)14(10-20)24-15/h7,9,13-15,20-21H,2-6,8,10H2,1H3/t13-,14+,15+/m0/s1
SMILES: CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C(C#CCCCC(=O)OC)OC(=S)C2=CC=CC=C2)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C40H64O6SSi2/c1-13-14-17-24-31(45-48(9,10)39(2,3)4)27-28-32-35(46-49(11,12)40(5,6)7)29-33(41)37(32)34(25-20-16-21-26-36(42)43-8)44-38(47)30-22-18-15-19-23-30/h15,18-19,22-23,27-28,31-32,34-35,37H,13-14,16-17,21,24,26,29H2,1-12H3/b28-27+/t31-,32-,34?,35+,37+/m0/s1
SMILES: CSC1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)N
InChI: InChI=1S/C11H17N5O10P2S/c1-29-11-14-8(12)5-9(15-11)16(3-13-5)10-7(18)6(17)4(25-10)2-24-28(22,23)26-27(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H,22,23)(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
SMILES: C[C@@H]1[C@@H](N([C@@H]([C@@H](C1(C)O)C)C2=CC=CC=C2)C)C3=CC=CC=C3
InChI: InChI=1S/C21H27NO/c1-15-19(17-11-7-5-8-12-17)22(4)20(16(2)21(15,3)23)18-13-9-6-10-14-18/h5-16,19-20,23H,1-4H3/t15-,16+,19-,20+,21?
SMILES: CCN1C[C@H]([C@@H](C1=O)C(=O)OC)[C@H]2[C@@H](N(C(O2)(C)C)C(=O)OC(C)(C)C)CC(C)C
InChI: InChI=1S/C22H38N2O6/c1-10-23-12-14(16(18(23)25)19(26)28-9)17-15(11-13(2)3)24(22(7,8)29-17)20(27)30-21(4,5)6/h13-17H,10-12H2,1-9H3/t14-,15+,16+,17+/m1/s1
SMILES: C[C@H]1[C@H]2[C@@H](C13OCCO3)CC[C@H]([C@@H]2C#C[C@H](C4CCCCC4)O[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C26H44O4Si/c1-18-24-20(22(27)14-13-21(24)26(18)28-16-17-29-26)12-15-23(19-10-8-7-9-11-19)30-31(5,6)25(2,3)4/h18-24,27H,7-11,13-14,16-17H2,1-6H3/t18-,20-,21-,22+,23+,24+/m0/s1
SMILES: C[C@H](CC(=O)N1[C@H]([C@@H](OC1=O)C2=CC=CC=C2)CO)Cl
InChI: InChI=1S/C14H16ClNO4/c1-9(15)7-12(18)16-11(8-17)13(20-14(16)19)10-5-3-2-4-6-10/h2-6,9,11,13,17H,7-8H2,1H3/t9-,11+,13+/m1/s1
SMILES: CCC[C@@]1(C[C@@H]2[C@@H](O1)CC/C(=C/[C@H]([C@@H]3C[C@@]([C@](O3)(C[C@@H](/C=C/C(=O)O2)C)OC)(C)O[Si](C)(C)C)C)/C)C
InChI: InChI=1S/C30H52O6Si/c1-11-16-28(5)19-26-24(34-28)14-12-21(2)17-23(4)25-20-29(6,36-37(8,9)10)30(32-7,35-25)18-22(3)13-15-27(31)33-26/h13,15,17,22-26H,11-12,14,16,18-20H2,1-10H3/b15-13+,21-17+/t22-,23-,24+,25+,26-,28-,29-,30-/m1/s1
SMILES: C[C@H]1CC/C=C(\[C@H](/C=C\[C@@](/C=C\C(=O)O[C@@H]1C)(C)O)O)/C
InChI: InChI=1S/C17H26O4/c1-12-6-5-7-13(2)15(18)8-10-17(4,20)11-9-16(19)21-14(12)3/h7-12,14-15,18,20H,5-6H2,1-4H3/b10-8-,11-9-,13-7-/t12-,14+,15-,17+/m0/s1
SMILES: C[C@H]1C[C@H]1C(=O)O[C@@H](C)C(=O)NC2=C(N(N=C2C)C)C
InChI: InChI=1S/C14H21N3O3/c1-7-6-11(7)14(19)20-10(4)13(18)15-12-8(2)16-17(5)9(12)3/h7,10-11H,6H2,1-5H3,(H,15,18)/t7-,10-,11+/m0/s1
SMILES: COC(=O)[C@H]1[C@@H]2[C@@H](C(=O)N(C2=O)C3=CC=CC=C3)C(N1)(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F
InChI: InChI=1S/C26H20F2N2O4/c1-34-25(33)22-20-21(24(32)30(23(20)31)19-5-3-2-4-6-19)26(29-22,15-7-11-17(27)12-8-15)16-9-13-18(28)14-10-16/h2-14,20-22,29H,1H3/t20-,21-,22+/m0/s1
SMILES: C1[C@H]([C@H]2[C@H](O2)[C@H](O1)OCC3=CC=CC=C3)OC=O
InChI: InChI=1S/C13H14O5/c14-8-17-10-7-16-13(12-11(10)18-12)15-6-9-4-2-1-3-5-9/h1-5,8,10-13H,6-7H2/t10-,11+,12+,13+/m1/s1
SMILES: CC1=C(C(=CC=C1)C)NC(=O)CN(C)CC(=O)N2CC[C@H]3CCCC[C@@H]3C2
InChI: InChI=1S/C22H33N3O2/c1-16-7-6-8-17(2)22(16)23-20(26)14-24(3)15-21(27)25-12-11-18-9-4-5-10-19(18)13-25/h6-8,18-19H,4-5,9-15H2,1-3H3,(H,23,26)/t18-,19-/m1/s1
SMILES: C1=C(C=C(C(=C1O)O)O)C(=O)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2OC(=O)C3=CC(=C(C(=C3OC4=CC(=CC(=C4O)O)C(=O)O)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)CO)O
InChI: InChI=1S/C34H28O23/c35-8-20-25(46)28(55-31(50)10-2-13(36)21(42)14(37)3-10)29(34(54-20)57-32(51)11-4-15(38)22(43)16(39)5-11)56-33(52)12-7-18(41)24(45)26(47)27(12)53-19-6-9(30(48)49)1-17(40)23(19)44/h1-7,20,25,28-29,34-47H,8H2,(H,48,49)/t20-,25-,28+,29-,34+/m1/s1
SMILES: CC1=CC=C(C=C1)NC(=O)NNC(=O)[C@@H]2C[C@@H]2C3=CC=CC=C3
InChI: InChI=1S/C18H19N3O2/c1-12-7-9-14(10-8-12)19-18(23)21-20-17(22)16-11-15(16)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3,(H,20,22)(H2,19,21,23)/t15-,16-/m1/s1
SMILES: CC1=CC(=CC=C1)N2C(=O)[C@H]3[C@H](C2=O)N(N=C3C(=O)OC)C(=O)C
InChI: InChI=1S/C16H15N3O5/c1-8-5-4-6-10(7-8)18-14(21)11-12(16(23)24-3)17-19(9(2)20)13(11)15(18)22/h4-7,11,13H,1-3H3/t11-,13-/m1/s1
SMILES: CC[C@@H]1[C@H]2CCN[C@H]2C3=C(N1S(=O)(=O)C4=CC=C(C=C4)C)C=CC(=C3)OCC5=CC=CC=C5
InChI: InChI=1S/C27H30N2O3S/c1-3-25-23-15-16-28-27(23)24-17-21(32-18-20-7-5-4-6-8-20)11-14-26(24)29(25)33(30,31)22-12-9-19(2)10-13-22/h4-14,17,23,25,27-28H,3,15-16,18H2,1-2H3/t23-,25-,27-/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H]([C@@H]([C@@](CC1=O)(C)O)C(=O)OCC)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC
InChI: InChI=1S/C27H32O8/c1-5-33-25(29)23-19(28)15-27(3,31)24(26(30)34-6-2)22(23)18-12-13-20(21(14-18)32-4)35-16-17-10-8-7-9-11-17/h7-14,22-24,31H,5-6,15-16H2,1-4H3/t22-,23+,24-,27+/m1/s1
SMILES: C[C@@H]1C[C@H]1C2=CC=C(O2)/C=N\NC(=S)NC3=CC=CC=C3OC
InChI: InChI=1S/C17H19N3O2S/c1-11-9-13(11)15-8-7-12(22-15)10-18-20-17(23)19-14-5-3-4-6-16(14)21-2/h3-8,10-11,13H,9H2,1-2H3,(H2,19,20,23)/b18-10-/t11-,13-/m1/s1
SMILES: CC(C)[Si](C(C)C)(C(C)C)O[C@@H]1[C@H](C2=C(O1)C=CC(=C2OCOC)Br)CC=O
InChI: InChI=1S/C21H33BrO5Si/c1-13(2)28(14(3)4,15(5)6)27-21-16(10-11-23)19-18(26-21)9-8-17(22)20(19)25-12-24-7/h8-9,11,13-16,21H,10,12H2,1-7H3/t16-,21+/m0/s1
SMILES: CCCCCC1C(=O)C2=C([C@H]([C@@]3(N2C[C@H]4[C@@H]3N4C(=O)C)OC)COC(=O)N)C(=O)C15OCCO5
InChI: InChI=1S/C23H31N3O8/c1-4-5-6-7-13-18(28)17-16(20(29)23(13)33-8-9-34-23)14(11-32-21(24)30)22(31-3)19-15(10-25(17)22)26(19)12(2)27/h13-15,19H,4-11H2,1-3H3,(H2,24,30)/t13?,14-,15+,19+,22-,26?/m1/s1
SMILES: CC1(O[C@H]2CN([C@H]([C@H]2O1)C[C@H]([C@@H](CO)O)O)C(=O)OC(C)(C)C)C
InChI: InChI=1S/C16H29NO7/c1-15(2,3)24-14(21)17-7-12-13(23-16(4,5)22-12)9(17)6-10(19)11(20)8-18/h9-13,18-20H,6-8H2,1-5H3/t9-,10+,11+,12-,13+/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)Br
InChI: InChI=1S/C21H19BrO8/c22-11-3-1-10(2-4-11)14-9-28-15-7-12(5-6-13(15)17(14)24)29-21-20(27)19(26)18(25)16(8-23)30-21/h1-7,9,16,18-21,23,25-27H,8H2/t16-,18+,19+,20+,21+/m0/s1
SMILES: C1C[C@H]([C@@H](C=C1)O)CCCC(S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3
InChI: InChI=1S/C22H26O5S2/c23-21-16-8-7-10-18(21)11-9-17-22(28(24,25)19-12-3-1-4-13-19)29(26,27)20-14-5-2-6-15-20/h1-6,8,12-16,18,21-23H,7,9-11,17H2/t18-,21+/m0/s1
SMILES: CCCCCCCCCCCCCCCCCC[Si](C)(C)CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI: InChI=1S/C28H58O6Si/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-35(2,3)22-20-33-28-27(32)26(31)25(30)24(23-29)34-28/h24-32H,4-23H2,1-3H3/t24-,25-,26+,27-,28-/m1/s1
SMILES: CC1=CC(=O)[C@@H]2C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)C)C5=CC=CC=C5OCCO)C(=O)N(C4=O)C6=CC=C(C=C6)N7CCOCC7
InChI: InChI=1S/C36H38N2O7/c1-21-19-29(40)28-20-27-24(32(36(28,2)33(21)41)25-5-3-4-6-30(25)45-18-15-39)11-12-26-31(27)35(43)38(34(26)42)23-9-7-22(8-10-23)37-13-16-44-17-14-37/h3-11,19,26-28,31-32,39H,12-18,20H2,1-2H3/t26-,27+,28-,31-,32+,36+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C4CC[C@@H](C(C4=CC(=C32)O)(C)C)OC(=O)C)C)C
InChI: InChI=1S/C31H48O3/c1-19(2)10-9-11-20(3)24-15-17-31(8)28-23(14-16-30(24,31)7)22-12-13-27(34-21(4)32)29(5,6)25(22)18-26(28)33/h18-20,24,27,33H,9-17H2,1-8H3/t20-,24-,27+,30-,31+/m1/s1
SMILES: CCO[C@H]1C[C@@]2(C([C@]1(C(=O)O2)CCC#N)(OC)OC)C(=O)OC
InChI: InChI=1S/C15H21NO7/c1-5-22-10-9-14(12(18)19-2)15(20-3,21-4)13(10,7-6-8-16)11(17)23-14/h10H,5-7,9H2,1-4H3/t10-,13+,14-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC=C(C=C3)C
InChI: InChI=1S/C24H27NO4/c1-16-11-13-18(14-12-16)23(27)19-8-4-5-9-20(19)24(28)29-15-22(26)25-21-10-6-3-7-17(21)2/h4-5,8-9,11-14,17,21H,3,6-7,10,15H2,1-2H3,(H,25,26)/t17-,21-/m0/s1
SMILES: C[NH+]1CC[C@@H]2[C@@H](C1)[C@@]3(C4=CC=CC=C4NC3=O)C(C(=N)C2C#N)(C#N)C#N
InChI: InChI=1S/C20H18N6O/c1-26-7-6-12-13(8-21)17(24)19(10-22,11-23)20(15(12)9-26)14-4-2-3-5-16(14)25-18(20)27/h2-5,12-13,15,24H,6-7,9H2,1H3,(H,25,27)/p+1/t12-,13?,15+,20+/m0/s1
SMILES: C[C@H](CCCCCC(C)(C)OC1CCCCO1)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@H]([C@@]56[C@@]4(CC[C@@H]5C6)C)OC)C
InChI: InChI=1S/C35H60O3/c1-24(12-8-7-10-18-32(2,3)38-31-13-9-11-21-37-31)27-14-15-28-26-22-30(36-6)35-23-25(35)16-20-34(35,5)29(26)17-19-33(27,28)4/h24-31H,7-23H2,1-6H3/t24-,25-,26+,27-,28+,29+,30-,31?,33-,34-,35+/m1/s1
SMILES: CC[Si](CC)(CC)O[C@@H]1C(=C)C2=C([C@H](C[C@]3(C2(C)C)[C@H](C4=CC=CC=C14)OC(=O)O3)O)C
InChI: InChI=1S/C26H36O5Si/c1-8-32(9-2,10-3)31-22-17(5)21-16(4)20(27)15-26(25(21,6)7)23(29-24(28)30-26)19-14-12-11-13-18(19)22/h11-14,20,22-23,27H,5,8-10,15H2,1-4,6-7H3/t20-,22+,23-,26+/m0/s1
SMILES: CC1([C@@H]2CC[C@]13CS(=O)(=O)N([C@H]3C2)C(=O)/C=C/C4=CC=CC=C4)C
InChI: InChI=1S/C19H23NO3S/c1-18(2)15-10-11-19(18)13-24(22,23)20(16(19)12-15)17(21)9-8-14-6-4-3-5-7-14/h3-9,15-16H,10-13H2,1-2H3/b9-8+/t15-,16+,19-/m1/s1
SMILES: CCOC(=O)[C@@]12[C@@H](CC(=CC1C)O[Si](C)(C)C(C)(C)C)OC(CC2=O)(C)C
InChI: InChI=1S/C21H36O5Si/c1-10-24-18(23)21-14(2)11-15(26-27(8,9)19(3,4)5)12-17(21)25-20(6,7)13-16(21)22/h11,14,17H,10,12-13H2,1-9H3/t14?,17-,21+/m1/s1
SMILES: COC1=C(C=C(C=C1)[C@@H]2[C@H]3CC=C[C@@H]3C4=C(N2)C(=CC=C4)Cl)[N+](=O)[O-]
InChI: InChI=1S/C19H17ClN2O3/c1-25-17-9-8-11(10-16(17)22(23)24)18-13-5-2-4-12(13)14-6-3-7-15(20)19(14)21-18/h2-4,6-10,12-13,18,21H,5H2,1H3/t12-,13-,18+/m0/s1
SMILES: C1CC[C@@H]2C/C(=N\NC(=O)C3=CC=C(C=C3)Cl)/CC[C@H]2C1
InChI: InChI=1S/C17H21ClN2O/c18-15-8-5-13(6-9-15)17(21)20-19-16-10-7-12-3-1-2-4-14(12)11-16/h5-6,8-9,12,14H,1-4,7,10-11H2,(H,20,21)/b19-16-/t12-,14-/m1/s1
SMILES: C[C@@]12CC[C@@H]3[C@]4(C=CC(=O)OC([C@@H]4CC(=O)O[C@]3([C@@]15[C@H](O5)C[C@H]2C6=COC=C6)C)(C)C)C
InChI: InChI=1S/C26H32O6/c1-22(2)18-13-21(28)32-25(5)17(23(18,3)9-7-20(27)31-22)6-10-24(4)16(15-8-11-29-14-15)12-19-26(24,25)30-19/h7-9,11,14,16-19H,6,10,12-13H2,1-5H3/t16-,17+,18-,19+,23+,24-,25+,26+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NCC#N)OC(=O)C)OC(=O)C
InChI: InChI=1S/C18H20N6O7/c1-9(25)28-6-12-14(29-10(2)26)15(30-11(3)27)18(31-12)24-8-23-13-16(20-5-4-19)21-7-22-17(13)24/h7-8,12,14-15,18H,5-6H2,1-3H3,(H,20,21,22)/t12-,14-,15-,18-/m1/s1
SMILES: CCCCCC(=O)C[C@H]1[C@H](N(C1=O)C(=C(C)C)C(=O)OCOC(=O)C(C)(C)C)S[Hg]C2=CC=CC=C2
InChI: InChI=1S/C21H33NO6S.C6H5.Hg/c1-7-8-9-10-14(23)11-15-17(24)22(18(15)29)16(13(2)3)19(25)27-12-28-20(26)21(4,5)6;1-2-4-6-5-3-1;/h15,18,29H,7-12H2,1-6H3;1-5H;/q;;+1/p-1/t15-,18-;;/m1../s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=O)[C@]45[C@@]3(CCC[C@H]4O5)C
InChI: InChI=1S/C19H26O3/c1-17-9-7-13-11(12(17)5-6-14(17)20)10-15(21)19-16(22-19)4-3-8-18(13,19)2/h11-13,16H,3-10H2,1-2H3/t11-,12-,13-,16+,17-,18+,19+/m0/s1
SMILES: C[C@H]1CC[C@]2([C@H]([C@]1(C)CC3=C(C(=CC(=C3)O)SC4=CC=CC=C4C(=O)O)O)CCC=C2C)C
InChI: InChI=1S/C28H34O4S/c1-17-8-7-11-24-27(17,3)13-12-18(2)28(24,4)16-19-14-20(29)15-23(25(19)30)33-22-10-6-5-9-21(22)26(31)32/h5-6,8-10,14-15,18,24,29-30H,7,11-13,16H2,1-4H3,(H,31,32)/t18-,24+,27+,28+/m0/s1
SMILES: CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O
InChI: InChI=1S/C22H22N2O3/c1-14-12-19(15(2)24(14)16-8-4-3-5-9-16)20(25)13-23-21(26)17-10-6-7-11-18(17)22(23)27/h3-9,12,17-18H,10-11,13H2,1-2H3/t17-,18-/m1/s1
SMILES: CC(=O)NCCNC(=O)[C@H]1CN2CC[C@H]1C[C@@H]2CN3C=C(N=N3)CCO
InChI: InChI=1S/C17H28N6O3/c1-12(25)18-4-5-19-17(26)16-11-22-6-2-13(16)8-15(22)10-23-9-14(3-7-24)20-21-23/h9,13,15-16,24H,2-8,10-11H2,1H3,(H,18,25)(H,19,26)/t13-,15+,16-/m0/s1
SMILES: CC1(COC(=O)[C@@H]1OC(=O)C=CC2=CC=C(C=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)N9CCC[C@@H]9C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)C
InChI: InChI=1S/C46H59N3O14/c1-43(2,3)60-33(52)19-17-29(23-50)47-39(53)30-7-6-20-48(30)42(56)45-21-31-34-35(62-46(61-34,27-13-14-27)28-15-16-28)37(45)63-49(36(45)40(54)58-31)22-26-10-8-25(9-11-26)12-18-32(51)59-38-41(55)57-24-44(38,4)5/h8-12,18,27-31,34-38,50H,6-7,13-17,19-24H2,1-5H3,(H,47,53)/t29-,30+,31+,34-,35-,36-,37+,38-,45-/m0/s1