EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCOC(=O)[C@]1([C@H]2[C@@H]([C@@H]([NH2+]1)C3=CC=CC=C3F)C(=O)N(C2=O)C)C
InChI: InChI=1S/C17H19FN2O4/c1-4-24-16(23)17(2)12-11(14(21)20(3)15(12)22)13(19-17)9-7-5-6-8-10(9)18/h5-8,11-13,19H,4H2,1-3H3/p+1/t11-,12-,13-,17+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2OC(=O)C)OCC[Si](C)(C)C)COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C37H57NO21Si/c1-18(39)38-29-26(52-21(4)42)15-37(36(47)48-9,58-32(29)30(54-23(6)44)27(53-22(5)43)16-50-19(2)40)59-33-31(55-24(7)45)28(17-51-20(3)41)57-35(34(33)56-25(8)46)49-13-14-60(10,11)12/h26-35H,13-17H2,1-12H3,(H,38,39)/t26-,27+,28+,29+,30+,31-,32+,33-,34+,35+,37-/m0/s1
SMILES: CC(=O)[C@@H]1[C@H]([C@H]([C@](CC1=O)(C)O)C(=O)C)C2=CC=C(C=C2)Br
InChI: InChI=1S/C17H19BrO4/c1-9(19)14-13(21)8-17(3,22)16(10(2)20)15(14)11-4-6-12(18)7-5-11/h4-7,14-16,22H,8H2,1-3H3/t14-,15+,16+,17+/m0/s1
SMILES: C[C@H]1C/C=C/C(=O)[C@H]([C@H](C/C=C/C2=C(C(=CC(=C2OC)OC)O)C(=O)O1)O)O
InChI: InChI=1S/C20H24O8/c1-11-6-4-8-13(21)18(24)14(22)9-5-7-12-17(20(25)28-11)15(23)10-16(26-2)19(12)27-3/h4-5,7-8,10-11,14,18,22-24H,6,9H2,1-3H3/b7-5+,8-4+/t11-,14-,18+/m0/s1
SMILES: CCCCC(=O)N([C@@H]1CC(=C[C@@H]([C@H]1O)OC2=CC=CC=C2I)C(=O)NCCO)C3CCCC3
InChI: InChI=1S/C25H35IN2O5/c1-2-3-12-23(30)28(18-8-4-5-9-18)20-15-17(25(32)27-13-14-29)16-22(24(20)31)33-21-11-7-6-10-19(21)26/h6-7,10-11,16,18,20,22,24,29,31H,2-5,8-9,12-15H2,1H3,(H,27,32)/t20-,22+,24+/m1/s1
SMILES: CC1(OC(C(O1)C2=CC=C(C=C2)OC)[C@@H]3[C@](O3)(C(=O)OC)Cl)C
InChI: InChI=1S/C16H19ClO6/c1-15(2)21-11(9-5-7-10(19-3)8-6-9)12(22-15)13-16(17,23-13)14(18)20-4/h5-8,11-13H,1-4H3/t11?,12?,13-,16+/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: CC(C)[C@@H](C(=O)OC)NC(=O)N1C2=C(C=C(C=C2)C#CC3=CC=C(C=C3)OC)[C@@]4(C1=O)[C@H]([C@@H]5C(=O)O[C@H]([C@H](N5[C@H]4C6=CC=C(C=C6)O)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)O
InChI: InChI=1S/C49H43N3O10/c1-28(2)39(45(56)61-4)50-48(59)51-37-26-19-30(16-15-29-17-24-35(60-3)25-18-29)27-36(37)49(47(51)58)38(44(54)55)41-46(57)62-42(32-13-9-6-10-14-32)40(31-11-7-5-8-12-31)52(41)43(49)33-20-22-34(53)23-21-33/h5-14,17-28,38-43,53H,1-4H3,(H,50,59)(H,54,55)/t38-,39+,40-,41-,42+,43+,49-/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)C(=O)N(C2=O)CCC(=O)OCC(=O)NCCC3=CC=C(C=C3)Cl
InChI: InChI=1S/C21H25ClN2O5/c22-15-7-5-14(6-8-15)9-11-23-18(25)13-29-19(26)10-12-24-20(27)16-3-1-2-4-17(16)21(24)28/h5-8,16-17H,1-4,9-13H2,(H,23,25)/t16-,17+
SMILES: C1C[C@@H]2C[C@@H]1C[C@H]2N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]
InChI: InChI=1S/C17H23N3O4S/c21-20(22)15-3-1-2-4-17(15)25(23,24)19-9-7-18(8-10-19)16-12-13-5-6-14(16)11-13/h1-4,13-14,16H,5-12H2/t13-,14-,16-/m1/s1
SMILES: CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OCC(=O)N3CCC[C@@H]4[C@@H]3CCCC4
InChI: InChI=1S/C23H30N2O4/c1-16-13-20(17(2)25(16)14-19-9-6-12-28-19)23(27)29-15-22(26)24-11-5-8-18-7-3-4-10-21(18)24/h6,9,12-13,18,21H,3-5,7-8,10-11,14-15H2,1-2H3/t18-,21+/m1/s1
SMILES: CCCOC(=O)C1=CC=C(C=C1)N2C(=O)[C@@H]3C[C@H]([C@H](C[C@H]3C2=O)Br)Br
InChI: InChI=1S/C18H19Br2NO4/c1-2-7-25-18(24)10-3-5-11(6-4-10)21-16(22)12-8-14(19)15(20)9-13(12)17(21)23/h3-6,12-15H,2,7-9H2,1H3/t12-,13-,14-,15+/m1/s1
SMILES: C[C@]1(CC(=O)[C@]23[C@]4([C@H](CCC([C@@H]4[C@H]5[C@@H]([C@]2(O1)C)OC(O5)(C)C)(C)C)OC(O3)(C)C)C)C=C
InChI: InChI=1S/C26H40O6/c1-11-23(8)14-15(27)26-24(9)16(28-22(6,7)31-26)12-13-20(2,3)18(24)17-19(25(26,10)32-23)30-21(4,5)29-17/h11,16-19H,1,12-14H2,2-10H3/t16-,17-,18-,19-,23+,24-,25+,26-/m0/s1
SMILES: CC(C)C(=O)NC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(N6CCCC6)SCCSC(=O)C7=CC=CC=C7
InChI: InChI=1S/C47H53N4O8PS2/c1-33(2)44(52)48-42-25-28-51(46(54)49-42)43-31-40(59-60(50-26-11-12-27-50)62-30-29-61-45(53)34-13-7-5-8-14-34)41(58-43)32-57-47(35-15-9-6-10-16-35,36-17-21-38(55-3)22-18-36)37-19-23-39(56-4)24-20-37/h5-10,13-25,28,33,40-41,43H,11-12,26-27,29-32H2,1-4H3,(H,48,49,52,54)/t40-,41+,43+,60?/m0/s1
SMILES: C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)C(=O)CC#N
InChI: InChI=1S/C11H14N4O5/c12-2-1-5(17)7-10(13)15(4-14-7)11-9(19)8(18)6(3-16)20-11/h4,6,8-9,11,16,18-19H,1,3,13H2/t6-,8-,9-,11-/m1/s1
SMILES: CC1=C(C(=CC=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)Br)C(=O)N(C4=O)C6=CC=CC=C6)O
InChI: InChI=1S/C29H22BrNO5/c1-14-6-5-9-17(26(14)33)23-16-10-11-18-24(29(36)31(28(18)35)15-7-3-2-4-8-15)19(16)12-20-25(23)22(32)13-21(30)27(20)34/h2-10,13,18-19,23-24,33H,11-12H2,1H3/t18-,19+,23+,24-/m0/s1
SMILES: C[C@@]12CCCC[C@@H]1CC[C@H]3[C@H]2CC[C@]4([C@H]3CCC4=O)C
InChI: InChI=1S/C19H30O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h13-16H,3-12H2,1-2H3/t13-,14-,15+,16-,18-,19+/m1/s1
SMILES: CON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OC5=CC=C(C=C5)C6=CC=CC=C6)CCCCO)CCCCO)OCC=C)SC7CCCC7
InChI: InChI=1S/C45H55NO6S/c1-3-27-50-45-42(53-36-16-7-8-17-36)30-40(46-49-2)38-28-33(15-9-11-25-47)37(18-10-12-26-48)43(44(38)45)39-29-35(23-24-41(39)52-45)51-34-21-19-32(20-22-34)31-13-5-4-6-14-31/h3-6,13-14,19-24,28-29,33,36-37,42-44,47-48H,1,7-12,15-18,25-27,30H2,2H3/t33-,37+,42-,43+,44+,45+/m0/s1
SMILES: CC1=C(C2=C(C=C1)[C@]3([C@H]4[C@@H]([C@H](N3)CC5=CC=CC=C5)C(=O)N(C4=O)C6CCCCCC6)C(=O)N2)C
InChI: InChI=1S/C29H33N3O3/c1-17-14-15-21-25(18(17)2)30-28(35)29(21)24-23(22(31-29)16-19-10-6-5-7-11-19)26(33)32(27(24)34)20-12-8-3-4-9-13-20/h5-7,10-11,14-15,20,22-24,31H,3-4,8-9,12-13,16H2,1-2H3,(H,30,35)/t22-,23-,24+,29+/m1/s1
SMILES: C1CCC(CC1)O[C@H]2[C@@H]([C@H]([C@H]3[C@H](O2)CO[C@H](O3)C4=CC=CC=C4)O)[N+](=O)[O-]
InChI: InChI=1S/C19H25NO7/c21-16-15(20(22)23)19(25-13-9-5-2-6-10-13)26-14-11-24-18(27-17(14)16)12-7-3-1-4-8-12/h1,3-4,7-8,13-19,21H,2,5-6,9-11H2/t14-,15-,16-,17-,18-,19-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]2(/C=C/I)O)CCC4=C3C=CC(=C4)O
InChI: InChI=1S/C20H25IO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h3,5,10-12,16-18,22-23H,2,4,6-9H2,1H3/b11-10+/t16-,17-,18+,19+,20+/m1/s1
SMILES: C[C@@H](C(=O)NC1=CC=CC(=C1)C(=O)C)OC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C22H26N2O6/c1-13(25)15-6-5-7-16(12-15)23-20(27)14(2)30-19(26)10-11-24-21(28)17-8-3-4-9-18(17)22(24)29/h5-7,12,14,17-18H,3-4,8-11H2,1-2H3,(H,23,27)/t14-,17-,18+/m0/s1
SMILES: CC1=C(C(=C2C(=C1Cl)C=CC=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)C(=O)C
InChI: InChI=1S/C19H21ClO8/c1-7-12(8(2)22)16(24)13-9(14(7)20)4-3-5-10(13)27-19-18(26)17(25)15(23)11(6-21)28-19/h3-5,11,15,17-19,21,23-26H,6H2,1-2H3/t11-,15-,17+,18-,19-/m1/s1
SMILES: COC1=CC=C(C=C1)[C@H]2[C@@H](C(=C)NC(=O)N2)C(=O)OCC=C
InChI: InChI=1S/C16H18N2O4/c1-4-9-22-15(19)13-10(2)17-16(20)18-14(13)11-5-7-12(21-3)8-6-11/h4-8,13-14H,1-2,9H2,3H3,(H2,17,18,20)/t13-,14+/m1/s1
SMILES: CC1=C2C[C@@H]3[C@@]45COC([C@@H]4[C@H](C(=O)O3)OC(=O)/C=C(\C)/C(C)C)(C([C@@H]([C@@H]5[C@]2(C=C(C1=O)O)C)O)O)C(=O)OC
InChI: InChI=1S/C28H34O11/c1-11(2)12(3)7-17(30)39-20-22-27-10-37-28(22,25(35)36-6)23(33)19(32)21(27)26(5)9-15(29)18(31)13(4)14(26)8-16(27)38-24(20)34/h7,9,11,16,19-23,29,32-33H,8,10H2,1-6H3/b12-7+/t16-,19-,20-,21-,22-,23?,26+,27-,28?/m1/s1
SMILES: CCOC1=C(C=C(C(=C1)CN[C@H]2CCCC[C@@H]2C)Cl)OCC(=O)N
InChI: InChI=1S/C18H27ClN2O3/c1-3-23-16-8-13(10-21-15-7-5-4-6-12(15)2)14(19)9-17(16)24-11-18(20)22/h8-9,12,15,21H,3-7,10-11H2,1-2H3,(H2,20,22)/t12-,15-/m0/s1
SMILES: CC(=O)OCC1[C@H](C([C@H]([C@H](O1)OC(=O)C)NC(=O)CSC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C18H25NO11S/c1-8(20)26-6-13-16(27-9(2)21)17(28-10(3)22)15(18(30-13)29-11(4)23)19-14(25)7-31-12(5)24/h13,15-18H,6-7H2,1-5H3,(H,19,25)/t13?,15-,16-,17?,18+/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN6CCC7=C(C6)NC8=CC=CC=C78)O)C(=C5)C(=O)C9=CC=C(C=C9)OC)O)C
InChI: InChI=1S/C41H48N2O4/c1-37-16-12-27(44)22-39(37)19-20-41(31(23-39)36(45)26-8-10-28(47-3)11-9-26)34(37)13-17-38(2)35(41)14-18-40(38,46)25-43-21-15-30-29-6-4-5-7-32(29)42-33(30)24-43/h4-11,19-20,23,27,34-35,42,44,46H,12-18,21-22,24-25H2,1-3H3/t27?,34-,35-,37-,38+,39+,40-,41-/m1/s1
SMILES: COC1=CC(=O)C2=CC[C@H](O[C@@]23[C@@]1(C4=C(C(=C5C(=C4O3)[C@@H](C[C@H](O5)C6=CC=CC=C6)O)OC)OC)OC)C7=CC=CC=C7
InChI: InChI=1S/C34H32O9/c1-37-26-18-22(35)21-15-16-24(19-11-7-5-8-12-19)42-34(21)33(26,40-4)28-29(43-34)27-23(36)17-25(20-13-9-6-10-14-20)41-30(27)32(39-3)31(28)38-2/h5-15,18,23-25,36H,16-17H2,1-4H3/t23-,24+,25+,33-,34+/m1/s1
SMILES: CC1=C(C[C@H]2[C@@H](C1)C(=O)N(C2=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])C
InChI: InChI=1S/C17H18N2O4/c1-9-4-5-12(8-15(9)19(22)23)18-16(20)13-6-10(2)11(3)7-14(13)17(18)21/h4-5,8,13-14H,6-7H2,1-3H3/t13-,14+
SMILES: C[C@H]1CC=C\2[C@H]1CC/C(=C/[C@@H]([C@]3(CC[C@@H]([C@@H]3C/C=C2\CO)C(C)C)C)O)/C
InChI: InChI=1S/C25H40O2/c1-16(2)20-12-13-25(5)23(20)11-8-19(15-26)22-10-7-18(4)21(22)9-6-17(3)14-24(25)27/h8,10,14,16,18,20-21,23-24,26-27H,6-7,9,11-13,15H2,1-5H3/b17-14+,19-8+/t18-,20+,21-,23-,24-,25-/m0/s1
SMILES: CC1=CC(=C(N=C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC(=O)[C@@H]5[C@@]4(CC[C@H](C5)O)C)C)O
InChI: InChI=1S/C27H39NO3/c1-15-11-24(31)25(28-14-15)16(2)19-5-6-20-18-13-23(30)22-12-17(29)7-9-27(22,4)21(18)8-10-26(19,20)3/h11,14,16-22,29,31H,5-10,12-13H2,1-4H3/t16-,17+,18-,19+,20-,21-,22+,26+,27+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OP(=O)(O)O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl.[Na]
InChI: InChI=1S/C23H32Cl2NO6P.Na/c1-23-9-8-18-17-5-3-16(31-22(27)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)32-33(28,29)30;/h3,5,14,18-21H,2,4,6-13H2,1H3,(H2,28,29,30);/t18-,19-,20+,21+,23+;/m1./s1
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1C3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)CCCC(=O)O)C)C
InChI: InChI=1S/C35H56O4/c1-22(2)23-14-17-32(5)20-21-34(7)24(30(23)32)12-13-26-33(6)18-16-27(39-29(38)11-9-10-28(36)37)31(3,4)25(33)15-19-35(26,34)8/h23-27,30H,1,9-21H2,2-8H3,(H,36,37)/t23-,24?,25-,26+,27-,30+,32+,33-,34+,35+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(C2=CC=CC=C2)O[Si](C)(C)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C24H34O11Si/c1-14(25)29-13-19-20(30-15(2)26)21(31-16(3)27)22(32-17(4)28)24(33-19)34-23(35-36(5,6)7)18-11-9-8-10-12-18/h8-12,19-24H,13H2,1-7H3/t19-,20-,21+,22-,23?,24+/m1/s1
SMILES: C1C=C2[C@@H](C[C@@H]3[C@H]([C@H]2C4=C(C=C(C=C4)OCC5=CC=CC=C5)O)C(=O)N(C3=O)C6=CC=CC=C6)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=CC=C8
InChI: InChI=1S/C39H32N2O6/c42-32-20-26(47-22-23-10-4-1-5-11-23)16-17-28(32)33-27-18-19-29-34(38(45)40(36(29)43)24-12-6-2-7-13-24)30(27)21-31-35(33)39(46)41(37(31)44)25-14-8-3-9-15-25/h1-18,20,29-31,33-35,42H,19,21-22H2/t29-,30+,31+,33+,34-,35+/m0/s1
SMILES: CCCCCCCCC1=CC2=CN(C(=O)NC2O1)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI: InChI=1S/C19H30N2O5/c1-2-3-4-5-6-7-8-14-9-13-11-21(19(24)20-18(13)25-14)17-10-15(23)16(12-22)26-17/h9,11,15-18,22-23H,2-8,10,12H2,1H3,(H,20,24)/t15-,16+,17+,18?/m0/s1
SMILES: COC1=CC=C(C=C1)N2[C@@H]([C@H](C2=O)CC3=CC=CC=C3)C4=CC=C(C=C4)O
InChI: InChI=1S/C23H21NO3/c1-27-20-13-9-18(10-14-20)24-22(17-7-11-19(25)12-8-17)21(23(24)26)15-16-5-3-2-4-6-16/h2-14,21-22,25H,15H2,1H3/t21-,22-/m1/s1
SMILES: CCCOC(=O)[C@@H]1[C@H](NC(=O)NC1=C)C2=CC3=C(C=C2)OCO3
InChI: InChI=1S/C16H18N2O5/c1-3-6-21-15(19)13-9(2)17-16(20)18-14(13)10-4-5-11-12(7-10)23-8-22-11/h4-5,7,13-14H,2-3,6,8H2,1H3,(H2,17,18,20)/t13-,14+/m0/s1
SMILES: CC(=O)C1=C(C=C(C(=C1O)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
InChI: InChI=1S/C14H18O9/c1-4(16)8-5(17)2-6(18)9(11(8)20)14-13(22)12(21)10(19)7(3-15)23-14/h2,7,10,12-15,17-22H,3H2,1H3/t7-,10-,12+,13-,14+/m1/s1
SMILES: C1CCC(C1)SC2=NC(=C3C(=N2)N(C=N3)C4[C@@H]([C@@H]([C@H](O4)CO)O)O)N
InChI: InChI=1S/C15H21N5O4S/c16-12-9-13(19-15(18-12)25-7-3-1-2-4-7)20(6-17-9)14-11(23)10(22)8(5-21)24-14/h6-8,10-11,14,21-23H,1-5H2,(H2,16,18,19)/t8-,10-,11-,14?/m1/s1
SMILES: C/C/1=C\CC[C@@]2([C@H](O2)C[C@H](CC(=O)/C(=C/CC1)/C)C(=C)C)C
InChI: InChI=1S/C20H30O2/c1-14(2)17-12-18(21)16(4)10-6-8-15(3)9-7-11-20(5)19(13-17)22-20/h9-10,17,19H,1,6-8,11-13H2,2-5H3/b15-9+,16-10+/t17-,19+,20+/m0/s1
SMILES: CCOC1=CC=C(C=C1)/C=N\NC(=S)N[C@@H]2C[C@@H]3CC[C@H]2C3
InChI: InChI=1S/C17H23N3OS/c1-2-21-15-7-4-12(5-8-15)11-18-20-17(22)19-16-10-13-3-6-14(16)9-13/h4-5,7-8,11,13-14,16H,2-3,6,9-10H2,1H3,(H2,19,20,22)/b18-11-/t13-,14+,16-/m1/s1
SMILES: CCCN1C[C@@]2(CC[C@@H]3[C@@]2(CCC=C(CC[C@@H](CC4=CC(=C3C=C4)C(=O)C5=CC=CO5)O)C)C)OC1=O
InChI: InChI=1S/C31H39NO5/c1-4-16-32-20-31(37-29(32)35)15-13-26-24-12-10-22(19-25(24)28(34)27-8-6-17-36-27)18-23(33)11-9-21(2)7-5-14-30(26,31)3/h6-8,10,12,17,19,23,26,33H,4-5,9,11,13-16,18,20H2,1-3H3/t23-,26-,30-,31+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O
InChI: InChI=1S/C15H26N2O6Si/c1-15(2,3)24(4,5)23-12-11(20)9(8-18)22-13(12)17-7-6-10(19)16-14(17)21/h6-7,9,11-13,18,20H,8H2,1-5H3,(H,16,19,21)/t9-,11-,12-,13-/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[C@H]3CCN([C@H]3C(=O)O)C(=O)OCC4=CC=CC=C4
InChI: InChI=1S/C29H33NO5Si/c1-29(2,3)36(23-15-9-5-10-16-23,24-17-11-6-12-18-24)35-25-19-20-30(26(25)27(31)32)28(33)34-21-22-13-7-4-8-14-22/h4-18,25-26H,19-21H2,1-3H3,(H,31,32)/t25-,26+/m0/s1
SMILES: CO/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4=CC=C(C=C4)C(=S)N)C(=O)[O-]
InChI: InChI=1S/C20H19N7O5S3/c1-32-25-12(11-8-35-20(22)23-11)16(28)24-13-17(29)27-14(19(30)31)10(7-34-18(13)27)6-26-4-2-9(3-5-26)15(21)33/h2-5,8,13,18H,6-7H2,1H3,(H5-,21,22,23,24,28,30,31,33)/b25-12-/t13-,18-/m1/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=CC=C(C=C4)I
InChI: InChI=1S/C15H12Br2INO2/c16-12-8-5-9(13(12)17)11-10(8)14(20)19(15(11)21)7-3-1-6(18)2-4-7/h1-4,8-13H,5H2/t8-,9+,10-,11+,12-,13+
SMILES: CCOC1=C(C=CC(=C1)[C@H]2[C@H](C(=O)C[C@@]([C@@H]2C(=O)OCC(C)C)(C)O)C(=O)OCC(C)C)O
InChI: InChI=1S/C25H36O8/c1-7-31-19-10-16(8-9-17(19)26)20-21(23(28)32-12-14(2)3)18(27)11-25(6,30)22(20)24(29)33-13-15(4)5/h8-10,14-15,20-22,26,30H,7,11-13H2,1-6H3/t20-,21-,22-,25+/m0/s1
SMILES: C[C@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)C3=CC=C(S3)Cl
InChI: InChI=1S/C15H17ClN2O3S/c1-9-4-2-3-7-15(9)13(20)18(14(21)17-15)8-10(19)11-5-6-12(16)22-11/h5-6,9H,2-4,7-8H2,1H3,(H,17,21)/t9-,15-/m0/s1
SMILES: CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)NCCCN2CCCC2=O)C3=COC4=CC=CC=C43)CCCO
InChI: InChI=1S/C26H34N2O6/c1-2-32-26-19(9-6-15-29)20(21-17-33-22-10-4-3-8-18(21)22)16-23(34-26)25(31)27-12-7-14-28-13-5-11-24(28)30/h3-4,8,10,16-17,19-20,26,29H,2,5-7,9,11-15H2,1H3,(H,27,31)/t19-,20+,26-/m1/s1
SMILES: CC1(OC[C@@H](O1)[C@H]2[C@@H]([C@H](C(=O)O2)OC(=O)C3=CC=CC=C3)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)C
InChI: InChI=1S/C50H52O12/c1-50(2)57-33-40(62-50)42-44(45(48(52)59-42)60-47(51)38-26-16-7-17-27-38)61-49-46(56-31-37-24-14-6-15-25-37)43(55-30-36-22-12-5-13-23-36)41(54-29-35-20-10-4-11-21-35)39(58-49)32-53-28-34-18-8-3-9-19-34/h3-27,39-46,49H,28-33H2,1-2H3/t39-,40-,41+,42+,43+,44+,45-,46-,49-/m1/s1
SMILES: C[C@@H](C(=O)NC1=CC=C(C=C1)NC(=O)C)N2CC[C@@H]3CCCC[C@@H]3C2
InChI: InChI=1S/C20H29N3O2/c1-14(23-12-11-16-5-3-4-6-17(16)13-23)20(25)22-19-9-7-18(8-10-19)21-15(2)24/h7-10,14,16-17H,3-6,11-13H2,1-2H3,(H,21,24)(H,22,25)/t14-,16-,17+/m0/s1
SMILES: C=C1CC[C@@H]2[C@@H]([C@@H]3[C@H]1CCC3=C)OC(=O)C2=C
InChI: InChI=1S/C15H18O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h11-14H,1-7H2/t11-,12-,13-,14-/m0/s1
SMILES: CCOC1=CC=CC=C1[C@H]2[C@@H](C(=C)NC(=O)N2)C(=O)C3=CC=CC=C3
InChI: InChI=1S/C20H20N2O3/c1-3-25-16-12-8-7-11-15(16)18-17(13(2)21-20(24)22-18)19(23)14-9-5-4-6-10-14/h4-12,17-18H,2-3H2,1H3,(H2,21,22,24)/t17-,18+/m1/s1
SMILES: CC1=C([C@H]2[C@H](CC[C@@]1([C@H]2CO)C)C(C)C)C(=O)O
InChI: InChI=1S/C15H24O3/c1-8(2)10-5-6-15(4)9(3)12(14(17)18)13(10)11(15)7-16/h8,10-11,13,16H,5-7H2,1-4H3,(H,17,18)/t10-,11+,13+,15+/m1/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@H]2C(=O)N(C3=O)C4CCC(CC4)C(=O)OCC(=O)C5=CC=C(C=C5)Cl
InChI: InChI=1S/C24H26ClNO5/c25-17-7-3-13(4-8-17)19(27)12-31-24(30)14-5-9-18(10-6-14)26-22(28)20-15-1-2-16(11-15)21(20)23(26)29/h3-4,7-8,14-16,18,20-21H,1-2,5-6,9-12H2/t14?,15-,16+,18?,20-,21-/m0/s1
SMILES: CC(C)(C)OC(=O)N1CC[C@H]([C@H]1C(=O)O)COCC2=CC=CC=C2
InChI: InChI=1S/C18H25NO5/c1-18(2,3)24-17(22)19-10-9-14(15(19)16(20)21)12-23-11-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3,(H,20,21)/t14-,15-/m0/s1
SMILES: C1COC(O1)(COCC2=CC3=CC=CC=C3C=C2)[C@@H]4C[C@@H]([C@@H](O4)COCC5=CC=CC=C5)CO
InChI: InChI=1S/C28H32O6/c29-16-25-15-27(34-26(25)19-30-17-21-6-2-1-3-7-21)28(32-12-13-33-28)20-31-18-22-10-11-23-8-4-5-9-24(23)14-22/h1-11,14,25-27,29H,12-13,15-20H2/t25-,26+,27+/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@H]1C)NC(=O)COC(=O)/C(=C/C2=CC=C(C=C2)C)/C#N
InChI: InChI=1S/C21H26N2O3/c1-14-7-9-17(10-8-14)11-18(12-22)21(25)26-13-20(24)23-19-6-4-5-15(2)16(19)3/h7-11,15-16,19H,4-6,13H2,1-3H3,(H,23,24)/b18-11+/t15-,16+,19-/m1/s1
SMILES: C1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-]
InChI: InChI=1S/C20H24N2O4/c23-18(16-9-2-3-10-17(16)20(25)26)21-15-8-6-7-14(13-15)19(24)22-11-4-1-5-12-22/h2-3,6-8,13,16-17H,1,4-5,9-12H2,(H,21,23)(H,25,26)/p-1/t16-,17-/m1/s1
SMILES: CC1(OC[C@H](O1)COP(=O)(OCC2=CC=CC=C2)O[C@@H]3[C@@H]([C@@H]([C@H]([C@@H]([C@H]3OCOCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)O)OCOCC7=CC=CC=C7)C
InChI: InChI=1S/C49H57O13P/c1-49(2)58-33-42(61-49)34-60-63(51,59-32-41-26-16-7-17-27-41)62-48-45(56-35-52-28-37-18-8-3-9-19-37)43(50)44(54-30-39-22-12-5-13-23-39)46(55-31-40-24-14-6-15-25-40)47(48)57-36-53-29-38-20-10-4-11-21-38/h3-27,42-48,50H,28-36H2,1-2H3/t42-,43+,44+,45+,46-,47+,48+,63?/m0/s1
SMILES: C1CC1C(=O)N=C2N([C@H]3CS(=O)(=O)C[C@H]3S2)CC4=CC=CC=C4Cl
InChI: InChI=1S/C16H17ClN2O3S2/c17-12-4-2-1-3-11(12)7-19-13-8-24(21,22)9-14(13)23-16(19)18-15(20)10-5-6-10/h1-4,10,13-14H,5-9H2/t13-,14+/m0/s1
SMILES: CC[C@]1([C@H]2[C@@H]([C@@H](N1)C3=CC=CO3)C(=O)N(C2=O)C4=CC=C(C=C4)C)C(=O)OCC
InChI: InChI=1S/C22H24N2O5/c1-4-22(21(27)28-5-2)17-16(18(23-22)15-7-6-12-29-15)19(25)24(20(17)26)14-10-8-13(3)9-11-14/h6-12,16-18,23H,4-5H2,1-3H3/t16-,17-,18-,22-/m0/s1
SMILES: CN1C(=O)N([C@]2([C@@]1(NNC(=N2)SCC(=O)O)C3=CC=CC=C3)C4=CC=CC=C4)C
InChI: InChI=1S/C20H21N5O3S/c1-24-18(28)25(2)20(15-11-7-4-8-12-15)19(24,14-9-5-3-6-10-14)21-17(22-23-20)29-13-16(26)27/h3-12,23H,13H2,1-2H3,(H,21,22)(H,26,27)/t19-,20+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C/C(=C\C4=CC(=C(C(=C4)OC)OC)OC)/C2=O)CCC5=C3C=CC(=C5)O
InChI: InChI=1S/C28H32O5/c1-28-10-9-21-20-8-6-19(29)14-17(20)5-7-22(21)23(28)15-18(27(28)30)11-16-12-24(31-2)26(33-4)25(13-16)32-3/h6,8,11-14,21-23,29H,5,7,9-10,15H2,1-4H3/b18-11+/t21-,22-,23+,28+/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)OCC2=CC=CC=C2)OCC=C
InChI: InChI=1S/C17H24O6/c1-3-9-21-16-15(22-11-12-7-5-4-6-8-12)14(19)13(10-18)23-17(16)20-2/h3-8,13-19H,1,9-11H2,2H3/t13-,14-,15+,16-,17+/m1/s1
SMILES: C=CC(=O)N1[C@H]([C@@H]2CCC/C(=C\C3=CC=C(C=C3)F)/C2=N1)C4=CC=C(C=C4)F
InChI: InChI=1S/C23H20F2N2O/c1-2-21(28)27-23(16-8-12-19(25)13-9-16)20-5-3-4-17(22(20)26-27)14-15-6-10-18(24)11-7-15/h2,6-14,20,23H,1,3-5H2/b17-14+/t20-,23+/m1/s1
SMILES: CCOC(=O)C1=C(SC(=C1C)C)NC(=O)COC(=O)[C@H]2C[C@H]2C
InChI: InChI=1S/C16H21NO5S/c1-5-21-16(20)13-9(3)10(4)23-14(13)17-12(18)7-22-15(19)11-6-8(11)2/h8,11H,5-7H2,1-4H3,(H,17,18)/t8-,11+/m1/s1
SMILES: COC1=CC(=CC2=C1O[C@H]3[C@@H]2C(=C[C@H]([C@@H]3O)N(CC4=CC=CC=C4F)C(=O)C5CCOC5)C(=O)NCCO)C=O
InChI: InChI=1S/C29H31FN2O8/c1-38-23-11-16(14-34)10-19-24-20(28(36)31-7-8-33)12-22(25(35)27(24)40-26(19)23)32(29(37)18-6-9-39-15-18)13-17-4-2-3-5-21(17)30/h2-5,10-12,14,18,22,24-25,27,33,35H,6-9,13,15H2,1H3,(H,31,36)/t18?,22-,24+,25+,27+/m1/s1
SMILES: CCOC(=O)[C@@]1([C@@H]([C@H]2CO[C@@H](N2C1=O)C3=CC=CC=C3)CC(=O)OC(C)(C)C)C4CCCN(C4=O)CC5=CC=CC=C5
InChI: InChI=1S/C33H40N2O7/c1-5-40-31(39)33(24-17-12-18-34(28(24)37)20-22-13-8-6-9-14-22)25(19-27(36)42-32(2,3)4)26-21-41-29(35(26)30(33)38)23-15-10-7-11-16-23/h6-11,13-16,24-26,29H,5,12,17-21H2,1-4H3/t24?,25-,26-,29-,33-/m1/s1
SMILES: CCCCC1=CC(=O)OC2=C1C=CC(=C2C)O[C@@H](C)C(=O)N3CC[C@@]4(CCCC[C@@H]4C3)O
InChI: InChI=1S/C26H35NO5/c1-4-5-8-19-15-23(28)32-24-17(2)22(11-10-21(19)24)31-18(3)25(29)27-14-13-26(30)12-7-6-9-20(26)16-27/h10-11,15,18,20,30H,4-9,12-14,16H2,1-3H3/t18-,20+,26+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OC(=O)C3=CC=CC=C3)I)OC(=O)C)COC(=O)C)I)O)OC(=O)C4=CC=CC=C4
InChI: InChI=1S/C32H34I2O14/c1-16(35)41-14-21-26(46-29(39)19-10-6-4-7-11-19)25(38)23(33)31(44-21)48-27-22(15-42-17(2)36)45-32(43-18(3)37)24(34)28(27)47-30(40)20-12-8-5-9-13-20/h4-13,21-28,31-32,38H,14-15H2,1-3H3/t21-,22-,23-,24-,25-,26-,27-,28-,31+,32-/m1/s1
SMILES: CC(C)(C)ON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OC5=CC6=CC=CC=C6C=C5)CCCCO)CCCCO)OCC=C)N(C)C(=O)OC7=CC=C(C=C7)[N+](=O)[O-]
InChI: InChI=1S/C49H57N3O10/c1-6-27-58-49-44(51(5)47(55)60-36-21-18-35(19-22-36)52(56)57)31-42(50-62-48(2,3)4)40-29-34(15-9-11-25-53)39(16-10-12-26-54)45(46(40)49)41-30-38(23-24-43(41)61-49)59-37-20-17-32-13-7-8-14-33(32)28-37/h6-8,13-14,17-24,28-30,34,39,44-46,53-54H,1,9-12,15-16,25-27,31H2,2-5H3/t34-,39+,44-,45+,46+,49+/m0/s1
SMILES: COC1=CC=CC(=C1)[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC(=CC=C4)Br)ON2C5=CC=CC=C5
InChI: InChI=1S/C24H19BrN2O4/c1-30-19-12-5-7-15(13-19)21-20-22(31-27(21)17-9-3-2-4-10-17)24(29)26(23(20)28)18-11-6-8-16(25)14-18/h2-14,20-22H,1H3/t20-,21-,22+/m1/s1
SMILES: CC(=O)O[C@@H]1C=C[C@@H](O[C@H]1CC[C@@H]2[C@H](C=C[C@H](O2)OC)OC(=O)C)OC
InChI: InChI=1S/C18H26O8/c1-11(19)23-13-7-9-17(21-3)25-15(13)5-6-16-14(24-12(2)20)8-10-18(22-4)26-16/h7-10,13-18H,5-6H2,1-4H3/t13-,14+,15+,16-,17-,18+
SMILES: C1=CC=C(C=C1)C[C@@H]2[C@@H](C(=O)[C@@H](N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5)O
InChI: InChI=1S/C33H32N2O3/c36-31-29(21-25-13-5-1-6-14-25)34(23-27-17-9-3-10-18-27)33(38)35(24-28-19-11-4-12-20-28)30(32(31)37)22-26-15-7-2-8-16-26/h1-20,29-31,36H,21-24H2/t29-,30+,31+/m1/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)SC3=CC=CC=C3)I)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C33H33IO4S/c34-30-32(37-23-27-17-9-3-10-18-27)31(36-22-26-15-7-2-8-16-26)29(24-35-21-25-13-5-1-6-14-25)38-33(30)39-28-19-11-4-12-20-28/h1-20,29-33H,21-24H2/t29-,30-,31+,32+,33-/m1/s1
SMILES: CCCCCCCCCCC(=O)N[C@H]1[C@H](OC[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)NC(=O)OCC3=CC=CC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F)CO
InChI: InChI=1S/C39H55F3N4O11/c1-2-3-4-5-6-7-8-12-18-30(49)45-31-28(20-47)54-23-27(44-37(52)43-26-17-13-16-25(19-26)39(40,41)42)35(31)57-36-32(34(51)33(50)29(21-48)56-36)46-38(53)55-22-24-14-10-9-11-15-24/h9-11,13-17,19,27-29,31-36,47-48,50-51H,2-8,12,18,20-23H2,1H3,(H,45,49)(H,46,53)(H2,43,44,52)/t27-,28+,29+,31-,32+,33+,34+,35+,36-/m0/s1
SMILES: CO[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)CN=C(N)N)OCC2=CC=C(C=C2)Cl)COCC3=CC4=CC=CC=C4C=C3)O
InChI: InChI=1S/C28H33ClN4O6/c1-36-26-24(33-23(34)13-32-28(30)31)27(38-15-17-7-10-21(29)11-8-17)39-22(25(26)35)16-37-14-18-6-9-19-4-2-3-5-20(19)12-18/h2-12,22,24-27,35H,13-16H2,1H3,(H,33,34)(H4,30,31,32)/t22-,24-,25-,26-,27?/m1/s1
SMILES: CCOC1=C(C=CC(=C1)[C@@H]2[C@H]([C@](NC(=O)N2)(C(F)(F)F)O)C(=O)C3=CC=C(C=C3)OC)O
InChI: InChI=1S/C21H21F3N2O6/c1-3-32-15-10-12(6-9-14(15)27)17-16(18(28)11-4-7-13(31-2)8-5-11)20(30,21(22,23)24)26-19(29)25-17/h4-10,16-17,27,30H,3H2,1-2H3,(H2,25,26,29)/t16-,17+,20+/m0/s1
SMILES: CC1=CC=C(C=C1)N2C[C@H]([C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)C6=CC=CC=C6
InChI: InChI=1S/C27H27N3/c1-19-11-13-21(14-12-19)30-17-24(20-7-3-2-4-8-20)27-26-23(15-16-29(27)18-30)22-9-5-6-10-25(22)28-26/h2-14,24,27-28H,15-18H2,1H3/t24-,27-/m0/s1
SMILES: CC1=CC=C(C=C1)[C@H]2[C@@H]3CSCC=C3[C@H](C(=N)C2(C#N)C#N)C#N
InChI: InChI=1S/C19H16N4S/c1-12-2-4-13(5-3-12)17-16-9-24-7-6-14(16)15(8-20)18(23)19(17,10-21)11-22/h2-6,15-17,23H,7,9H2,1H3/t15-,16-,17+/m1/s1
SMILES: C1[C@@H]([C@@H](OC1=O)C2=CC=CC=C2)C(=O)NC3=NC=CC=N3
InChI: InChI=1S/C15H13N3O3/c19-12-9-11(13(21-12)10-5-2-1-3-6-10)14(20)18-15-16-7-4-8-17-15/h1-8,11,13H,9H2,(H,16,17,18,20)/t11-,13-/m0/s1
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)N2C3=C(C=C(C=C3)C#CCC(C(=O)OC)C(=O)OC)[C@]4(C2=O)[C@@H]([C@H]5C(=O)O[C@@H]([C@@H](N5[C@@H]4C6=CC=C(C=C6)OCCO)C7=CC=CC=C7)C8=CC=CC=C8)C(=O)N
InChI: InChI=1S/C52H48N4O11/c1-31(33-15-7-4-8-16-33)54-51(63)55-40-27-22-32(14-13-21-38(47(59)64-2)48(60)65-3)30-39(40)52(50(55)62)41(46(53)58)43-49(61)67-44(35-19-11-6-12-20-35)42(34-17-9-5-10-18-34)56(43)45(52)36-23-25-37(26-24-36)66-29-28-57/h4-12,15-20,22-27,30-31,38,41-45,57H,21,28-29H2,1-3H3,(H2,53,58)(H,54,63)/t31-,41+,42+,43+,44-,45-,52+/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)C)C
InChI: InChI=1S/C20H30N2O5S/c1-13-9-10-17(11-15(13)3)28(25,26)21-12-19(23)27-16(4)20(24)22-18-8-6-5-7-14(18)2/h9-11,14,16,18,21H,5-8,12H2,1-4H3,(H,22,24)/t14-,16-,18+/m1/s1