EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(=C)[C@@H]1CC[C@]([C@@H](CC[C@@]2([C@H](CCC(=C)[C@H]2CC3=C(C=CC(=C3)C(=O)O1)O)Br)C)Br)(C)O
InChI: InChI=1S/C27H36Br2O4/c1-16(2)22-10-13-27(5,32)24(29)11-12-26(4)20(17(3)6-9-23(26)28)15-19-14-18(25(31)33-22)7-8-21(19)30/h7-8,14,20,22-24,30,32H,1,3,6,9-13,15H2,2,4-5H3/t20-,22+,23+,24-,26+,27+/m1/s1
SMILES: CCCC[Sn](CCCC)(CCCC)C1=CC=C(C=C1)COC2=NC(=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C
InChI: InChI=1S/C25H26N5O9.3C4H9.Sn/c1-13(31)27-25-28-22-19(23(29-25)36-10-17-8-6-5-7-9-17)26-12-30(22)24-21(38-16(4)34)20(37-15(3)33)18(39-24)11-35-14(2)32;3*1-3-4-2;/h6-9,12,18,20-21,24H,10-11H2,1-4H3,(H,27,28,29,31);3*1,3-4H2,2H3;/t18-,20-,21-,24-;;;;/m1..../s1
SMILES: C[C@H]1CCCC[C@H]1NC(=S)NNC(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI: InChI=1S/C18H27N3O4S/c1-11-7-5-6-8-13(11)19-18(26)21-20-17(22)12-9-14(23-2)16(25-4)15(10-12)24-3/h9-11,13H,5-8H2,1-4H3,(H,20,22)(H2,19,21,26)/t11-,13+/m0/s1
SMILES: CC1(O[C@@H]2[C@@H](O[C@@H]([C@@H]2O1)N3C=NC4=C(N=CN=C43)N)CO)C
InChI: InChI=1S/C13H17N5O4/c1-13(2)21-8-6(3-19)20-12(9(8)22-13)18-5-17-7-10(14)15-4-16-11(7)18/h4-6,8-9,12,19H,3H2,1-2H3,(H2,14,15,16)/t6-,8+,9+,12-/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)[NH2+][C@@H](C)C(=O)NC2=CC=CC=C2C#N
InChI: InChI=1S/C18H25N3O/c1-12-7-6-10-16(13(12)2)20-14(3)18(22)21-17-9-5-4-8-15(17)11-19/h4-5,8-9,12-14,16,20H,6-7,10H2,1-3H3,(H,21,22)/p+1/t12-,13+,14-,16-/m0/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OCC(=O)N(CCC2=CC(=CC=C2)OC)[C@@H]3CC(=C[C@@H]([C@H]3O)OC4=C(C=C(C=C4I)CO)OC)C(=O)NCCO)C(C)C
InChI: InChI=1S/C38H53IN2O9/c1-23(2)29-10-9-24(3)15-32(29)49-22-35(44)41(13-11-25-7-6-8-28(16-25)47-4)31-19-27(38(46)40-12-14-42)20-33(36(31)45)50-37-30(39)17-26(21-43)18-34(37)48-5/h6-8,16-18,20,23-24,29,31-33,36,42-43,45H,9-15,19,21-22H2,1-5H3,(H,40,46)/t24-,29+,31+,32-,33-,36-/m0/s1
SMILES: C1=CC=C(C=C1)C(=O)O[C@@H]2[C@@H](C([C@H]([C@@H](C2O)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6
InChI: InChI=1S/C41H32O11/c42-31-32(48-37(43)26-16-6-1-7-17-26)34(50-39(45)28-20-10-3-11-21-28)36(52-41(47)30-24-14-5-15-25-30)35(51-40(46)29-22-12-4-13-23-29)33(31)49-38(44)27-18-8-2-9-19-27/h1-25,31-36,42H/t31?,32-,33+,34-,35-,36?/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)C(Cl)(Cl)Cl)CSC4=NC=CN4C
InChI: InChI=1S/C26H28Cl3N3O4S/c1-16-21(15-37-25-30-11-12-32(25)2)35-23(36-22(16)19-7-5-18(14-33)6-8-19)20-9-3-17(4-10-20)13-31-24(34)26(27,28)29/h3-12,16,21-23,33H,13-15H2,1-2H3,(H,31,34)/t16-,21+,22+,23+/m1/s1
SMILES: C(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@H](C#CC#C/C=C/CO)O
InChI: InChI=1S/C16H22O8/c17-8-5-3-1-2-4-6-11(19)7-9-23-16-15(22)14(21)13(20)12(10-18)24-16/h3,5,11-22H,7-10H2/b5-3+/t11-,12+,13+,14-,15+,16+/m0/s1
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CSC3C4=CC=CC=C4CCO3)C(=O)O)C
InChI: InChI=1S/C19H22N2O5S2/c1-19(2)14(17(24)25)21-15(23)13(16(21)28-19)20-12(22)9-27-18-11-6-4-3-5-10(11)7-8-26-18/h3-6,13-14,16,18H,7-9H2,1-2H3,(H,20,22)(H,24,25)/t13-,14+,16-,18?/m1/s1
SMILES: CC1=C(N2[C@H]([C@H](C2=O)NC(=O)C3=NN(C=C3Cl)C)SC1)C(=O)[O-]
InChI: InChI=1S/C13H13ClN4O4S/c1-5-4-23-12-8(11(20)18(12)9(5)13(21)22)15-10(19)7-6(14)3-17(2)16-7/h3,8,12H,4H2,1-2H3,(H,15,19)(H,21,22)/p-1/t8-,12-/m0/s1
SMILES: C1[C@@H]2[C@H]3[C@H]([C@H]1[C@@H]([C@@H]2Br)Br)C(=O)N(C3=O)C4=CN=CC=C4
InChI: InChI=1S/C14H12Br2N2O2/c15-11-7-4-8(12(11)16)10-9(7)13(19)18(14(10)20)6-2-1-3-17-5-6/h1-3,5,7-12H,4H2/t7-,8+,9-,10-,11-,12+/m0/s1
SMILES: COC1=NC(=NC(=C1)[C@H]2[C@H]3C[C@H](NC(=O)N3C(=O)O2)CC=C)OC
InChI: InChI=1S/C15H18N4O5/c1-4-5-8-6-10-12(24-15(21)19(10)14(20)16-8)9-7-11(22-2)18-13(17-9)23-3/h4,7-8,10,12H,1,5-6H2,2-3H3,(H,16,20)/t8-,10-,12+/m1/s1
SMILES: C[C@H]1CC[C@@H](C[C@@H]1C)OC(=O)C2=C(NC(=O)N[C@@H]2C3=CC=C(C=C3)[N+](=O)[O-])C
InChI: InChI=1S/C20H25N3O5/c1-11-4-9-16(10-12(11)2)28-19(24)17-13(3)21-20(25)22-18(17)14-5-7-15(8-6-14)23(26)27/h5-8,11-12,16,18H,4,9-10H2,1-3H3,(H2,21,22,25)/t11-,12-,16-,18+/m0/s1
SMILES: CC[C@@H]1/C=C(/C[C@@H](C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)OC([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]4CC[C@@H]([C@@H](C4)OC)OS(=O)(=O)N)/C)O)C)OC)OC)C)\C
InChI: InChI=1S/C43H70N2O14S/c1-10-30-18-24(2)17-25(3)19-36(55-8)39-37(56-9)21-27(5)43(51,58-39)40(48)41(49)45-16-12-11-13-31(45)42(50)57-38(28(6)32(46)23-33(30)47)26(4)20-29-14-15-34(35(22-29)54-7)59-60(44,52)53/h18,20,25,27-32,34-39,46,51H,10-17,19,21-23H2,1-9H3,(H2,44,52,53)/b24-18+,26-20+/t25-,27+,28+,29-,30+,31-,32-,34-,35+,36-,37-,38?,39+,43+/m0/s1
SMILES: CC(=C)[C@@H]1CC[C@]2(C1C3CCC4[C@]([C@@]3(CC2)C(=O)O)(CCC5[C@@]4([C@H]([C@@H](C5(C)C)O)C(=O)O)C)C)C(=O)O
InChI: InChI=1S/C30H44O7/c1-15(2)16-9-12-29(24(34)35)13-14-30(25(36)37)17(20(16)29)7-8-19-27(30,5)11-10-18-26(3,4)22(31)21(23(32)33)28(18,19)6/h16-22,31H,1,7-14H2,2-6H3,(H,32,33)(H,34,35)(H,36,37)/t16-,17?,18?,19?,20?,21+,22-,27+,28-,29-,30+/m0/s1
SMILES: CC1=C(C=CC(=C1)C(C)[C@@H](/C=C/[C@H]2[C@@H](CC(=O)[C@@H]2CCSCCCC(=O)OC)O)O)O
InChI: InChI=1S/C24H34O6S/c1-15-13-17(6-8-20(15)25)16(2)21(26)9-7-18-19(23(28)14-22(18)27)10-12-31-11-4-5-24(29)30-3/h6-9,13,16,18-19,21-22,25-27H,4-5,10-12,14H2,1-3H3/b9-7+/t16?,18-,19-,21-,22-/m1/s1
SMILES: C1[C@H]([C@H](OC2=C1C(=CC(=C2)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C4=CC(=C(C=C4)O)O)O
InChI: InChI=1S/C21H24O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-5-9(23)4-14-10(15)6-13(26)20(30-14)8-1-2-11(24)12(25)3-8/h1-5,13,16-29H,6-7H2/t13-,16-,17-,18+,19-,20-,21-/m1/s1
SMILES: C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)N(C)S(=O)(=O)CCCBr)C)O)O)C
InChI: InChI=1S/C29H50BrNO6S/c1-18(7-10-26(34)37-5)21-8-9-22-27-23(17-25(33)29(21,22)3)28(2)12-11-20(15-19(28)16-24(27)32)31(4)38(35,36)14-6-13-30/h18-25,27,32-33H,6-17H2,1-5H3/t18-,19+,20-,21-,22+,23+,24-,25+,27+,28+,29-/m1/s1
SMILES: CC1=CN(C(=O)N2C1=NN=C2C)[C@H]3C[C@@H]([C@H](O3)COC(=O)C)OC(=O)C
InChI: InChI=1S/C16H20N4O6/c1-8-6-19(16(23)20-9(2)17-18-15(8)20)14-5-12(25-11(4)22)13(26-14)7-24-10(3)21/h6,12-14H,5,7H2,1-4H3/t12-,13+,14+/m0/s1
SMILES: CC(C)(C)OC(=O)N1CC[C@H]([C@H]1[C@@H]2CCO[C@@H](O2)C3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C26H33NO5/c1-26(2,3)32-25(28)27-16-14-21(30-18-19-10-6-4-7-11-19)23(27)22-15-17-29-24(31-22)20-12-8-5-9-13-20/h4-13,21-24H,14-18H2,1-3H3/t21-,22+,23+,24+/m1/s1
SMILES: CN1CC=C2[C@H](C1)[C@H](C(=C(C2(C#N)C#N)C#N)N)C3=CC=CC=C3
InChI: InChI=1S/C19H17N5/c1-24-8-7-15-14(10-24)17(13-5-3-2-4-6-13)18(23)16(9-20)19(15,11-21)12-22/h2-7,14,17H,8,10,23H2,1H3/t14-,17+/m0/s1
SMILES: CC1([C@@H]([C@H]1C(=O)NNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C=C(Cl)Cl)C
InChI: InChI=1S/C15H14Cl3N3O4/c1-15(2)9(6-11(17)18)12(15)14(23)20-19-13(22)8-4-3-7(21(24)25)5-10(8)16/h3-6,9,12H,1-2H3,(H,19,22)(H,20,23)/t9-,12+/m1/s1
SMILES: COC(=O)[C@H]1CC=CC[C@]12CCN(C2)CCC(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C26H31NO2/c1-29-25(28)24-14-8-9-16-26(24)17-19-27(20-26)18-15-23(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-13,23-24H,14-20H2,1H3/t24-,26-/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)CSC2=NN=C(N2C)CC(=O)NC3=CC=CC=C3F
InChI: InChI=1S/C20H26FN5O2S/c1-13-7-3-5-9-15(13)22-19(28)12-29-20-25-24-17(26(20)2)11-18(27)23-16-10-6-4-8-14(16)21/h4,6,8,10,13,15H,3,5,7,9,11-12H2,1-2H3,(H,22,28)(H,23,27)/t13-,15-/m1/s1
SMILES: CCN(CC)C(=O)[C@@]1(C[C@H]1CN2CCN(CC2)C)C3=CC=CC=C3
InChI: InChI=1S/C20H31N3O/c1-4-23(5-2)19(24)20(17-9-7-6-8-10-17)15-18(20)16-22-13-11-21(3)12-14-22/h6-10,18H,4-5,11-16H2,1-3H3/t18-,20-/m0/s1
SMILES: COC(=O)[C@H]1C[C@H](O[C@H]1C2=CC=C(C=C2)Br)COC3=CC=CC=C3
InChI: InChI=1S/C19H19BrO4/c1-22-19(21)17-11-16(12-23-15-5-3-2-4-6-15)24-18(17)13-7-9-14(20)10-8-13/h2-10,16-18H,11-12H2,1H3/t16-,17-,18-/m0/s1
SMILES: C/C/1=C\CC[C@@]2([C@H](O2)CC[C@](/C=C\3/C(=C(C(=O)O3)C)CC1)(C)O)C
InChI: InChI=1S/C20H28O4/c1-13-6-5-10-20(4)17(24-20)9-11-19(3,22)12-16-15(8-7-13)14(2)18(21)23-16/h6,12,17,22H,5,7-11H2,1-4H3/b13-6+,16-12-/t17-,19+,20-/m1/s1
SMILES: C[C@H]1[C@H]2CCC3=C4CC[C@@H]5[C@]6(CC4=CC(=C23)O[C@@H]1[C@@H]7C=C(C(=O)O7)C)[C@@H](CC(=O)O6)OC5(C)C
InChI: InChI=1S/C28H32O6/c1-13-9-20(32-26(13)30)25-14(2)16-5-6-18-17-7-8-21-27(3,4)33-22-11-23(29)34-28(21,22)12-15(17)10-19(31-25)24(16)18/h9-10,14,16,20-22,25H,5-8,11-12H2,1-4H3/t14-,16+,20-,21-,22+,25-,28+/m0/s1
SMILES: CCOC(=O)/C(=C/CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C)/C
InChI: InChI=1S/C29H48O5/c1-6-34-27(33)18(3)9-7-8-17(2)21-10-11-22-26-23(16-25(32)29(21,22)5)28(4)13-12-20(30)14-19(28)15-24(26)31/h9,17,19-26,30-32H,6-8,10-16H2,1-5H3/b18-9+/t17-,19+,20-,21-,22+,23+,24-,25+,26+,28+,29-/m1/s1
SMILES: C1=CC=C2C3[C@@H]4[C@@H](C(C2=C1)C5=CC=CC=C35)C6=NC7=CC=CC8=C7C(=CC=C8)N6C4=O
InChI: InChI=1S/C28H18N2O/c31-28-26-24-18-11-3-1-9-16(18)23(17-10-2-4-12-19(17)24)25(26)27-29-20-13-5-7-15-8-6-14-21(22(15)20)30(27)28/h1-14,23-26H/t23?,24?,25-,26-/m1/s1
SMILES: C[C@@H]1C/C=C/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)C)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)CO/C=C\CC3=CC4=CC=CC=C4N=C3)N(C)C)O)CC=O)C
InChI: InChI=1S/C43H58N2O10/c1-27-22-34(19-20-46)42(29(3)38(54-31(5)47)24-39(49)52-28(2)14-9-8-10-18-37(27)48)55-43-41(50)40(45(6)7)35(30(4)53-43)26-51-21-13-15-32-23-33-16-11-12-17-36(33)44-25-32/h8-13,16-18,20-21,23,25,27-30,34-35,38,40-43,50H,14-15,19,22,24,26H2,1-7H3/b9-8+,18-10+,21-13-/t27-,28-,29+,30-,34+,35-,38-,40+,41-,42-,43-/m1/s1
SMILES: C1OC2=C(O1)C=C(C=C2)CN3[C@@H]([C@H](C3=O)OC4=CC=CC=C4)C5=CC6=C(C=C5)OCO6
InChI: InChI=1S/C24H19NO6/c26-24-23(31-17-4-2-1-3-5-17)22(16-7-9-19-21(11-16)30-14-28-19)25(24)12-15-6-8-18-20(10-15)29-13-27-18/h1-11,22-23H,12-14H2/t22-,23-/m1/s1
SMILES: C[C@@]12CC[C@H]3[C@]([C@@]14[C@H](O4)C(=O)O[C@@H]2C5=COC=C5)(C(=O)C[C@@H]6[C@@]37COC(=O)C[C@@H]7OC6(C)C)C
InChI: InChI=1S/C26H30O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-15,17,19-20H,5,7,9-10,12H2,1-4H3/t14-,15-,17-,19+,20+,23-,24-,25+,26+/m0/s1
SMILES: C[C@@]12CC[C@H]([C@@]([C@@H]1CC[C@H]([C@H]2CC(=O)NCC3=CC=CC=C3OC)O)(C)CO)OC(=O)NCC=C
InChI: InChI=1S/C27H40N2O6/c1-5-14-28-25(33)35-23-12-13-26(2)19(20(31)10-11-22(26)27(23,3)17-30)15-24(32)29-16-18-8-6-7-9-21(18)34-4/h5-9,19-20,22-23,30-31H,1,10-17H2,2-4H3,(H,28,33)(H,29,32)/t19-,20-,22-,23-,26+,27+/m1/s1
SMILES: CC(C)(C1C[C@@]23C=C[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O
InChI: InChI=1S/C26H33NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-9,15,18-19,22,28-29H,4-5,10-14H2,1-3H3/t18?,19-,22-,24-,25+,26-/m1/s1
SMILES: CNC[C@H]1CC[C@@H]([C@@H](O1)O[C@H]2[C@@H](C[C@H]([C@@H]([C@@H]2O)N(C)C(=O)CN)OC)N)N
InChI: InChI=1S/C17H35N5O5/c1-21-8-9-4-5-10(19)17(26-9)27-16-11(20)6-12(25-3)14(15(16)24)22(2)13(23)7-18/h9-12,14-17,21,24H,4-8,18-20H2,1-3H3/t9-,10+,11-,12-,14+,15+,16+,17+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1CC[C@@]2([C@H](CCC[C@@H]2O1)O)CC=C
InChI: InChI=1S/C19H36O3Si/c1-7-12-19-13-11-15(14-21-23(5,6)18(2,3)4)22-17(19)10-8-9-16(19)20/h7,15-17,20H,1,8-14H2,2-6H3/t15-,16-,17-,19+/m0/s1
SMILES: CC1=CC=C(C=C1)NCN2C(=O)[C@@H]3C[C@H]([C@H](C[C@H]3C2=O)Br)Br
InChI: InChI=1S/C16H18Br2N2O2/c1-9-2-4-10(5-3-9)19-8-20-15(21)11-6-13(17)14(18)7-12(11)16(20)22/h2-5,11-14,19H,6-8H2,1H3/t11-,12-,13-,14+/m1/s1
SMILES: CCOC1=NC2=C(C=CC(=C2C)OC)C(=C1)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5CCCCCC[C@@H](CC(=O)N4C3)NC(=O)OC6CCCC6)C(=O)O
InChI: InChI=1S/C37H50N4O9/c1-4-48-31-19-30(27-15-16-29(47-3)22(2)33(27)39-31)49-26-18-28-34(43)40-37(35(44)45)20-23(37)11-7-5-6-8-12-24(17-32(42)41(28)21-26)38-36(46)50-25-13-9-10-14-25/h15-16,19,23-26,28H,4-14,17-18,20-21H2,1-3H3,(H,38,46)(H,40,43)(H,44,45)/t23-,24+,26-,28+,37-/m1/s1
SMILES: C[C@H](CCC(=O)NN)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C
InChI: InChI=1S/C24H42N2O2/c1-15(4-9-22(28)26-25)19-7-8-20-18-6-5-16-14-17(27)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,27H,4-14,25H2,1-3H3,(H,26,28)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1
SMILES: CC1=CC=CC=C1N2[C@H]3CS(=O)(=O)C[C@H]3N(C2=O)C4=CC(=CC=C4)Br
InChI: InChI=1S/C18H17BrN2O3S/c1-12-5-2-3-8-15(12)21-17-11-25(23,24)10-16(17)20(18(21)22)14-7-4-6-13(19)9-14/h2-9,16-17H,10-11H2,1H3/t16-,17+/m1/s1
SMILES: CCCCO[C@@H]1[C@@H](CC(=O)O1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)C3=CC=CC=C3Cl
InChI: InChI=1S/C25H34ClN3O6/c1-4-5-13-34-25-18(14-20(30)35-25)27-23(32)19-11-8-12-29(19)24(33)21(15(2)3)28-22(31)16-9-6-7-10-17(16)26/h6-7,9-10,15,18-19,21,25H,4-5,8,11-14H2,1-3H3,(H,27,32)(H,28,31)/t18-,19+,21+,25+/m1/s1
SMILES: CC[NH+]1CC=C2[C@@H](C1)[C@H](C(C(=N)C2C#N)(C#N)C#N)C3=CC4=C(C=C3Cl)OCO4
InChI: InChI=1S/C21H18ClN5O2/c1-2-27-4-3-12-14(7-23)20(26)21(9-24,10-25)19(15(12)8-27)13-5-17-18(6-16(13)22)29-11-28-17/h3,5-6,14-15,19,26H,2,4,8,11H2,1H3/p+1/t14?,15-,19-/m1/s1
SMILES: COC1=CC=CC(=C1)NC(=O)COC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)C4=CC=CC=C4
InChI: InChI=1S/C24H25NO5/c1-29-19-9-5-8-18(13-19)25-20(26)14-30-24(28)22-17-11-10-16(12-17)21(22)23(27)15-6-3-2-4-7-15/h2-9,13,16-17,21-22H,10-12,14H2,1H3,(H,25,26)/t16-,17+,21-,22-/m0/s1
SMILES: CC[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6CC7=C(C6)C=C(C=C7)NC(=O)NC)\C)C
InChI: InChI=1S/C43H58N2O9/c1-7-36-24(2)15-16-42(54-36)22-34-21-32(53-42)14-11-26(4)38(51-33-19-28-12-13-31(18-29(28)20-33)45-41(48)44-6)25(3)9-8-10-30-23-50-39-37(46)27(5)17-35(40(47)52-34)43(30,39)49/h8-13,17-18,24-25,32-39,46,49H,7,14-16,19-23H2,1-6H3,(H2,44,45,48)/b9-8+,26-11+,30-10+/t24-,25-,32+,33-,34-,35-,36+,37+,38+,39+,42+,43+/m0/s1
SMILES: C[C@H]1C[C@]2([C@@H]3CC[C@]4([C@@H]([C@@]([C@H]([C@H]([C@@H]4[C@]3([C@@H]([C@@H]([C@]2([C@]5(C1O5)C(=O)OC)C)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C)(COC)C(C)OCC6=CC=CC=C6Br)COC)C)O
InChI: InChI=1S/C45H63BrO15/c1-23-19-44(52)31-17-18-40(7)32(21-53-10)43(22-54-11,24(2)56-20-29-15-13-14-16-30(29)46)36(58-26(4)48)33(57-25(3)47)34(40)41(31,8)37(59-27(5)49)38(60-28(6)50)42(44,9)45(35(23)61-45)39(51)55-12/h13-16,23-24,31-38,52H,17-22H2,1-12H3/t23-,24?,31+,32-,33-,34-,35?,36-,37+,38-,40-,41-,42+,43+,44+,45-/m0/s1
SMILES: CC1([C@H]2[C@@](C(C(=O)O2)(C)C)(OC1=O)C3=CC=C(C=C3)Cl)C
InChI: InChI=1S/C16H17ClO4/c1-14(2)11-16(21-12(14)18,15(3,4)13(19)20-11)9-5-7-10(17)8-6-9/h5-8,11H,1-4H3/t11-,16-/m0/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@]13C[C@H](C2(C)C)[C@@]([C@H](C3)N)(C)O
InChI: InChI=1S/C15H27NO/c1-9-5-6-10-13(2,3)11-7-15(9,10)8-12(16)14(11,4)17/h9-12,17H,5-8,16H2,1-4H3/t9-,10+,11-,12+,14-,15-/m1/s1
SMILES: C[C@@H]1C[C@]2([C@H]3CC[C@@]4([C@@H]([C@@H]3CCC2=CC1=O)CC[C@]4(C)O)C)C
InChI: InChI=1S/C21H32O2/c1-13-12-19(2)14(11-18(13)22)5-6-15-16(19)7-9-20(3)17(15)8-10-21(20,4)23/h11,13,15-17,23H,5-10,12H2,1-4H3/t13-,15-,16+,17-,19-,20-,21+/m1/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@H]1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)OC(=O)C
InChI: InChI=1S/C31H38O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-24,26,34-35,38H,12-14H2,1-6H3/t19-,20+,21-,23-,24+,26+,29-,30+,31-/m1/s1
SMILES: CCOCC(=O)N(CC1=CC=CC=C1)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=CC=CC=C34)C(=O)NCCO
InChI: InChI=1S/C26H30N2O6/c1-2-33-16-22(30)28(15-17-8-4-3-5-9-17)20-14-19(26(32)27-12-13-29)23-18-10-6-7-11-21(18)34-25(23)24(20)31/h3-11,14,20,23-25,29,31H,2,12-13,15-16H2,1H3,(H,27,32)/t20-,23+,24+,25+/m1/s1
SMILES: CC(=O)OC1CC[C@@]2(C3CCC4C5CC(CCC5(CC[C@]4([C@@]3(CCC2C1(C)C)C)C)C(=O)O)(C)C)C
InChI: InChI=1S/C32H52O4/c1-20(33)36-25-12-13-29(6)23(28(25,4)5)11-14-31(8)24(29)10-9-21-22-19-27(2,3)15-17-32(22,26(34)35)18-16-30(21,31)7/h21-25H,9-19H2,1-8H3,(H,34,35)/t21?,22?,23?,24?,25?,29-,30+,31+,32?/m0/s1
SMILES: CCOC(=O)C1=NN[C@@]2([C@H]1C(=O)N(C2=O)C3=CC(=CC=C3)OC)C4=CC=CC=C4
InChI: InChI=1S/C21H19N3O5/c1-3-29-19(26)17-16-18(25)24(14-10-7-11-15(12-14)28-2)20(27)21(16,23-22-17)13-8-5-4-6-9-13/h4-12,16,23H,3H2,1-2H3/t16-,21-/m1/s1
SMILES: COC1=CC=C(C=C1)C2=C(C=CC(=C2)[N+](=O)[O-])OCC(=O)N3CCC[C@@H]4[C@@H]3CCCC4
InChI: InChI=1S/C24H28N2O5/c1-30-20-11-8-17(9-12-20)21-15-19(26(28)29)10-13-23(21)31-16-24(27)25-14-4-6-18-5-2-3-7-22(18)25/h8-13,15,18,22H,2-7,14,16H2,1H3/t18-,22+/m1/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=C(C=C4)OCC5=CC=CC=C5)O)Cl)CBr)Cl)[C@@H]6[C@H]1C(=O)N(C6=O)C7=CC(=C(C=C7)C(=O)O)O
InChI: InChI=1S/C35H27BrCl2N2O9/c36-16-39-32(47)34(37)14-24-20(10-11-23-27(24)30(44)40(29(23)43)18-6-8-22(31(45)46)25(41)12-18)28(35(34,38)33(39)48)21-9-7-19(13-26(21)42)49-15-17-4-2-1-3-5-17/h1-10,12-13,23-24,27-28,41-42H,11,14-16H2,(H,45,46)/t23-,24+,27-,28+,34+,35-/m0/s1
SMILES: C[C@@H]1C[C@@H]([C@@]2([C@@H]([C@@]1(C)[C@@H]3C[C@H]4CCO[C@H]4O3)CCC[C@]2(C=O)Br)COC(=O)C)OC(=O)C
InChI: InChI=1S/C24H35BrO7/c1-14-10-20(31-16(3)28)24(13-30-15(2)27)18(6-5-8-23(24,25)12-26)22(14,4)19-11-17-7-9-29-21(17)32-19/h12,14,17-21H,5-11,13H2,1-4H3/t14-,17-,18-,19+,20+,21+,22+,23-,24+/m1/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@H](OC(O2)(C)C)[C@H](COC(C)(C)C)O)C
InChI: InChI=1S/C16H30O6/c1-14(2,3)18-8-10(17)12-13(22-16(6,7)21-12)11-9-19-15(4,5)20-11/h10-13,17H,8-9H2,1-7H3/t10-,11+,12+,13+/m0/s1
SMILES: C[C@@H]1[C@H](N(C(O1)(C)C)C(=O)OC)[C@@H](/C=C/C(=O)OC)OS(=O)(=O)C
InChI: InChI=1S/C14H23NO8S/c1-9-12(15(13(17)21-5)14(2,3)22-9)10(23-24(6,18)19)7-8-11(16)20-4/h7-10,12H,1-6H3/b8-7+/t9-,10-,12+/m1/s1
SMILES: CC(C)(C)OC(=O)N1CCC[C@@]([C@H]1C2=CC=CC=C2)(CC(=C)C3=C(C=CC(=C3)OC(F)(F)F)OC4CC4)O[Si](C)(C)C
InChI: InChI=1S/C32H42F3NO5Si/c1-22(26-20-25(39-32(33,34)35)16-17-27(26)38-24-14-15-24)21-31(41-42(5,6)7)18-11-19-36(29(37)40-30(2,3)4)28(31)23-12-9-8-10-13-23/h8-10,12-13,16-17,20,24,28H,1,11,14-15,18-19,21H2,2-7H3/t28-,31+/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)[C@@H]4CCCN4C(=O)C(F)(F)F)CN(C)CC=C
InChI: InChI=1S/C30H36F3N3O5/c1-4-14-35(3)17-25-19(2)26(21-12-10-20(18-37)11-13-21)41-28(40-25)22-7-5-8-23(16-22)34-27(38)24-9-6-15-36(24)29(39)30(31,32)33/h4-5,7-8,10-13,16,19,24-26,28,37H,1,6,9,14-15,17-18H2,2-3H3,(H,34,38)/t19-,24+,25+,26+,28+/m1/s1
SMILES: C[C@@]1(CC(=O)[C@H]([C@H]([C@H]1C(=O)OC)C2=CC=C(C=C2)Cl)C(=O)OC)O
InChI: InChI=1S/C17H19ClO6/c1-17(22)8-11(19)13(15(20)23-2)12(14(17)16(21)24-3)9-4-6-10(18)7-5-9/h4-7,12-14,22H,8H2,1-3H3/t12-,13-,14+,17+/m1/s1
SMILES: C[C@]12CC[C@@H](CC1=CC[C@H]3[C@@H]2CC[C@]4([C@@H]3CC[C@@]45CCO5)C)OC
InChI: InChI=1S/C22H34O2/c1-20-9-6-16(23-3)14-15(20)4-5-17-18(20)7-10-21(2)19(17)8-11-22(21)12-13-24-22/h4,16-19H,5-14H2,1-3H3/t16-,17-,18-,19+,20-,21-,22+/m0/s1
SMILES: CCOC(=O)CN1C[C@]23C=C[C@H](O2)[C@@H]([C@@H]3C1=O)C(=O)[O-]
InChI: InChI=1S/C13H15NO6/c1-2-19-8(15)5-14-6-13-4-3-7(20-13)9(12(17)18)10(13)11(14)16/h3-4,7,9-10H,2,5-6H2,1H3,(H,17,18)/p-1/t7-,9-,10+,13-/m0/s1
SMILES: C[C@H]1C[C@H]1C(=O)OCC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl
InChI: InChI=1S/C19H16ClNO3S/c1-11-8-13(11)19(23)24-10-18(22)21-14-4-2-3-5-16(14)25-17-7-6-12(20)9-15(17)21/h2-7,9,11,13H,8,10H2,1H3/t11-,13+/m0/s1
SMILES: C[C@@]12CC[C@H](C[C@@H]1CC[C@H]3[C@@H]2CC[C@]4([C@@]3(C[C@H]([C@H]4C5=CC(=O)OC5)O)O)C)O
InChI: InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-16(21)6-8-22(2)20(13-9-19(26)28-12-13)18(25)11-23(17,22)27/h9,14-18,20,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18+,20+,21+,22+,23-/m0/s1
SMILES: C=CC[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C37H32O9/c1-2-15-29-31(44-35(39)26-18-9-4-10-19-26)33(46-37(41)28-22-13-6-14-23-28)32(45-36(40)27-20-11-5-12-21-27)30(43-29)24-42-34(38)25-16-7-3-8-17-25/h2-14,16-23,29-33H,1,15,24H2/t29-,30-,31+,32-,33-/m1/s1
SMILES: CC1=CC(=CC(=C1)OC)CO[C@H]2[C@H](N3CCC2CC3)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C29H33NO2/c1-21-17-22(19-26(18-21)31-2)20-32-29-25-13-15-30(16-14-25)28(29)27(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-12,17-19,25,27-29H,13-16,20H2,1-2H3/t28-,29-/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)OC3(O2)C4=CC=CC=C4N(C3=O)C[NH+]5CCN(CC5)C6=CC=CC=C6
InChI: InChI=1S/C25H29N3O3/c29-24-25(30-22-12-6-7-13-23(22)31-25)20-10-4-5-11-21(20)28(24)18-26-14-16-27(17-15-26)19-8-2-1-3-9-19/h1-5,8-11,22-23H,6-7,12-18H2/p+1/t22-,23-/m0/s1
SMILES: C1C=C2[C@@H](CC3=C([C@H]2C4=C(C=CC(=C4)Br)O)C(=O)C=C(C3=O)Br)[C@@H]5[C@H]1C(=O)N(C5=O)CCC(=O)O
InChI: InChI=1S/C25H19Br2NO7/c26-10-1-4-17(29)14(7-10)20-11-2-3-12-21(25(35)28(24(12)34)6-5-19(31)32)13(11)8-15-22(20)18(30)9-16(27)23(15)33/h1-2,4,7,9,12-13,20-21,29H,3,5-6,8H2,(H,31,32)/t12-,13+,20+,21-/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)[125I])CO)N
InChI: InChI=1S/C9H12IN3O4/c10-4-2-13(9(16)12-8(4)15)7-1-5(11)6(3-14)17-7/h2,5-7,14H,1,3,11H2,(H,12,15,16)/t5-,6+,7+/m0/s1/i10-2
SMILES: C1C[C@H]2[C@@H](C[C@@H]1N2)NC(=O)C3=CC=C(C=C3)OC4=CC=CS4
InChI: InChI=1S/C17H18N2O2S/c20-17(19-15-10-12-5-8-14(15)18-12)11-3-6-13(7-4-11)21-16-2-1-9-22-16/h1-4,6-7,9,12,14-15,18H,5,8,10H2,(H,19,20)/t12-,14+,15-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)CC(=S)NC2=CC=CC(=C2)C3O[C@@H]([C@H]([C@@H](O3)C4=CC=C(C=C4)CO)C5=CC=CC=C5)CN6CCC(CC6)N7C8=CC=CC=C8NC7=O)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C52H58N4O13S/c1-30(58)63-29-44-49(65-32(3)60)50(66-33(4)61)48(64-31(2)59)42(67-44)26-45(70)53-38-14-10-13-37(25-38)51-68-43(27-55-23-21-39(22-24-55)56-41-16-9-8-15-40(41)54-52(56)62)46(35-11-6-5-7-12-35)47(69-51)36-19-17-34(28-57)18-20-36/h5-20,25,39,42-44,46-51,57H,21-24,26-29H2,1-4H3,(H,53,70)(H,54,62)/t42-,43+,44+,46+,47-,48-,49+,50+,51?/m0/s1
SMILES: C1C[C@@H]2C[C@H]1[C@H]([C@@H]2NS(=O)(=O)CC3=CC=C(C=C3)C4=CC=CC=C4)C/C=C\CCCC(=O)O
InChI: InChI=1S/C27H33NO4S/c29-26(30)11-7-2-1-6-10-25-23-16-17-24(18-23)27(25)28-33(31,32)19-20-12-14-22(15-13-20)21-8-4-3-5-9-21/h1,3-6,8-9,12-15,23-25,27-28H,2,7,10-11,16-19H2,(H,29,30)/b6-1-/t23-,24+,25+,27+/m0/s1
SMILES: CC1=C(C=CC(=C1)N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@@H]3C2=O)C=C4)NC(=O)C
InChI: InChI=1S/C18H18N2O3/c1-9-7-13(5-6-14(9)19-10(2)21)20-17(22)15-11-3-4-12(8-11)16(15)18(20)23/h3-7,11-12,15-16H,8H2,1-2H3,(H,19,21)/t11-,12+,15+,16-
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C2C(OC(=N2)/C=C(\C)/C[C@H]3[C@@H]([C@@H]([C@H](CO3)C[C@H]4[C@@H](O4)[C@@H](C)[C@H](C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C5=CC=C(O5)[N+](=O)[O-]
InChI: InChI=1S/C39H62N2O11SSi3/c1-24-14-16-29(17-15-24)53(44,45)39-38(30-18-19-34(47-30)41(42)43)49-33(40-39)21-25(2)20-31-37(52-56(11,12)13)36(51-55(8,9)10)28(23-46-31)22-32-35(48-32)26(3)27(4)50-54(5,6)7/h14-19,21,26-28,31-32,35-39H,20,22-23H2,1-13H3/b25-21+/t26-,27-,28-,31-,32-,35-,36+,37-,38?,39?/m0/s1
SMILES: C[C@@]12[C@@H]([C@@H](CC(O1)N3C4=C(C=C(C=C4)C=O)C5=C6C(=C7C8=C(N2C7=C53)C=CC(=C8)C=O)CNC6=O)N(C)C(=O)OCC(Cl)(Cl)Cl)OC
InChI: InChI=1S/C33H27Cl3N4O7/c1-32-29(45-3)22(38(2)31(44)46-14-33(34,35)36)10-23(47-32)39-20-6-4-15(12-41)8-17(20)25-26-19(11-37-30(26)43)24-18-9-16(13-42)5-7-21(18)40(32)28(24)27(25)39/h4-9,12-13,22-23,29H,10-11,14H2,1-3H3,(H,37,43)/t22-,23?,29-,32+/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@H]([C@H](C(=O)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)OC3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCN4C=NC(=C4C)C5=CN=C(C=C5)OC)C=C
InChI: InChI=1S/C46H69N5O11/c1-14-34-46(15-2)40(51(44(56)62-46)21-17-16-20-50-25-48-36(31(50)8)32-18-19-35(57-12)47-24-32)28(5)37(52)26(3)23-45(9,58-13)41(29(6)38(53)30(7)42(55)60-34)61-43-39(54)33(49(10)11)22-27(4)59-43/h15,18-19,24-30,33-34,39-41,43,54H,2,14,16-17,20-23H2,1,3-13H3/t26-,27-,28+,29+,30-,33+,34-,39-,40+,41-,43?,45+,46-/m1/s1
SMILES: CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3)C(=O)N)NC(=O)C(CC(C)C)CC(=O)NO
InChI: InChI=1S/C43H68N10O10S/c1-25(2)18-28(21-35(55)53-63)40(59)49-30(19-26(3)4)42(61)50-31(20-27-12-6-5-7-13-27)41(60)47-22-36(56)46-23-37(57)48-29(39(44)58)14-10-11-17-45-34(54)16-9-8-15-33-38-32(24-64-33)51-43(62)52-38/h5-7,12-13,25-26,28-33,38,63H,8-11,14-24H2,1-4H3,(H2,44,58)(H,45,54)(H,46,56)(H,47,60)(H,48,57)(H,49,59)(H,50,61)(H,53,55)(H2,51,52,62)/t28?,29-,30-,31-,32-,33-,38-/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[C@@H]3CCC[C@H]3OCC=C
InChI: InChI=1S/C24H32O2Si/c1-5-19-25-22-17-12-18-23(22)26-27(24(2,3)4,20-13-8-6-9-14-20)21-15-10-7-11-16-21/h5-11,13-16,22-23H,1,12,17-19H2,2-4H3/t22-,23-/m1/s1
SMILES: C[C@H]1C[C@@H]1C2=CC=C(O2)/C=C(\C#N)/C3=NC(=NO3)C4=CC=CS4
InChI: InChI=1S/C17H13N3O2S/c1-10-7-13(10)14-5-4-12(21-14)8-11(9-18)17-19-16(20-22-17)15-3-2-6-23-15/h2-6,8,10,13H,7H2,1H3/b11-8+/t10-,13-/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=C4CNC(=O)[C@@H](CC5=CC=CC=C5)NS(=O)(=O)C6=CC=C(C=C6)C)CSCCO
InChI: InChI=1S/C44H48N2O7S2/c1-30-12-22-38(23-13-30)55(50,51)46-40(26-32-8-4-3-5-9-32)43(49)45-27-37-10-6-7-11-39(37)34-18-20-36(21-19-34)44-52-41(29-54-25-24-47)31(2)42(53-44)35-16-14-33(28-48)15-17-35/h3-23,31,40-42,44,46-48H,24-29H2,1-2H3,(H,45,49)/t31-,40+,41+,42+,44+/m0/s1