EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2[C@@H](O[C@H](C[C@@H]2OC)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3OC)O)OC4CCC5(C6CCC7=CO[C@@]8(C7C(CO8)OC(=O)C6CC=C5C4)C)C)C)C)OC)O
InChI: InChI=1S/C42H64O15/c1-20-34(43)28(46-6)16-31(51-20)56-36-21(2)52-32(17-29(36)47-7)57-37-22(3)53-40(35(44)38(37)48-8)54-25-13-14-41(4)24(15-25)10-11-26-27(41)12-9-23-18-49-42(5)33(23)30(19-50-42)55-39(26)45/h10,18,20-22,25-38,40,43-44H,9,11-17,19H2,1-8H3/t20-,21+,22-,25?,26?,27?,28+,29+,30?,31+,32+,33?,34-,35-,36+,37-,38-,40+,41?,42+/m1/s1
SMILES: C[C@@H]1[C@H](N[C@@H](C[C@@]1(C#CC2=CC=CC=C2)O)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC
InChI: InChI=1S/C28H29NO3/c1-20-27(23-11-15-25(32-3)16-12-23)29-26(22-9-13-24(31-2)14-10-22)19-28(20,30)18-17-21-7-5-4-6-8-21/h4-16,20,26-27,29-30H,19H2,1-3H3/t20-,26+,27+,28-/m1/s1
SMILES: COC1=C(C=CC(=C1)C=C[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)C(=O)OC)O
InChI: InChI=1S/C39H33NO8/c1-47-32-19-22(14-18-31(32)41)13-17-29-25-15-16-26-34(37(45)40(36(26)44)38(46)48-2)28(25)20-30-35(43)27(23-9-5-3-6-10-23)21-33(42)39(29,30)24-11-7-4-8-12-24/h3-15,17-19,21,26,28-30,34,41H,16,20H2,1-2H3/t26-,28+,29-,30-,34-,39-/m0/s1
SMILES: CCON=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(CC7=CC=C(C=C7)F)C(=O)CCC8CCCC8
InChI: InChI=1S/C54H65FN2O7/c1-3-31-61-54-50(57(36-38-19-23-42(55)24-20-38)51(60)28-21-37-13-5-6-14-37)35-48(56-62-4-2)46-33-41(17-9-11-29-58)45(18-10-12-30-59)52(53(46)54)47-34-44(26-27-49(47)64-54)63-43-25-22-39-15-7-8-16-40(39)32-43/h3,7-8,15-16,19-20,22-27,32-34,37,41,45,50,52-53,58-59H,1,4-6,9-14,17-18,21,28-31,35-36H2,2H3/t41-,45+,50-,52+,53+,54+/m0/s1
SMILES: C1CCC(CC1)C(C(=O)O)N2C[C@@H]([C@H](C2)C3=CC(=CC=C3)F)CN4CCC(CC4)(CCCC5=CC=CC=C5)O
InChI: InChI=1S/C33H45FN2O3/c34-29-15-7-14-27(21-29)30-24-36(31(32(37)38)26-12-5-2-6-13-26)23-28(30)22-35-19-17-33(39,18-20-35)16-8-11-25-9-3-1-4-10-25/h1,3-4,7,9-10,14-15,21,26,28,30-31,39H,2,5-6,8,11-13,16-20,22-24H2,(H,37,38)/t28-,30+,31?/m0/s1
SMILES: C1CC[C@H]2[C@H](C1)[NH2+][C@H](C(=O)N2)CC(=O)NC3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C17H21N3O4/c21-16(18-10-5-6-14-15(7-10)24-9-23-14)8-13-17(22)20-12-4-2-1-3-11(12)19-13/h5-7,11-13,19H,1-4,8-9H2,(H,18,21)(H,20,22)/p+1/t11-,12-,13-/m0/s1
SMILES: C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)OC(=O)C2=CC=CC=C2)N=[N+]=[N-])O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C21H31N3O6Si/c1-13-17(30-31(6,7)21(3,4)5)16(23-24-22)18(20(27-13)28-14(2)25)29-19(26)15-11-9-8-10-12-15/h8-13,16-18,20H,1-7H3/t13-,16+,17-,18-,20+/m1/s1
SMILES: CCCCCC(=O)OCC(=O)[C@H]1[C@@H](CC2[C@@]1(C[C@@H](C3C2C[C@@H](C4=CC(=O)C=C[C@]34C)F)O)C)C
InChI: InChI=1S/C28H39FO5/c1-5-6-7-8-24(33)34-15-23(32)25-16(2)11-19-18-13-21(29)20-12-17(30)9-10-27(20,3)26(18)22(31)14-28(19,25)4/h9-10,12,16,18-19,21-22,25-26,31H,5-8,11,13-15H2,1-4H3/t16-,18?,19?,21+,22+,25-,26?,27+,28+/m1/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)C1=CC=CC(=C1)CNC(=O)[C@]23C[C@@H]4[C@H]5[C@@H]([C@H]2ON([C@H]3C(=O)O4)CC6=CC(=CC=C6)C=CCC7=CC=CC=C7O)OC(O5)(C8=CC=CC=C8)C9=CC=CC=C9
InChI: InChI=1S/C55H57N3O11/c1-53(2,3)66-45(61)28-27-42(34-59)57-50(62)39-21-14-17-36(30-39)32-56-52(64)54-31-44-46-47(68-55(67-46,40-22-6-4-7-23-40)41-24-8-5-9-25-41)49(54)69-58(48(54)51(63)65-44)33-37-18-12-15-35(29-37)16-13-20-38-19-10-11-26-43(38)60/h4-19,21-26,29-30,42,44,46-49,59-60H,20,27-28,31-34H2,1-3H3,(H,56,64)(H,57,62)/t42-,44+,46-,47-,48-,49+,54-/m0/s1
SMILES: C[C@@]12CC[C@@H]3[C@@](C1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)COC(=O)CCCCCNC(=O)CCCC[C@H]6[C@@H]7[C@H](CS6)NC(=O)N7)(C=C(C(=O)C3(C)C)C#N)C
InChI: InChI=1S/C47H68N4O7S/c1-42(2)19-20-46(40(55)56)21-22-47(28-58-37(53)14-8-7-11-23-49-36(52)13-10-9-12-33-38-32(27-59-33)50-41(57)51-38)30(31(46)25-42)15-16-35-44(5)24-29(26-48)39(54)43(3,4)34(44)17-18-45(35,47)6/h15,24,31-35,38H,7-14,16-23,25,27-28H2,1-6H3,(H,49,52)(H,55,56)(H2,50,51,57)/t31-,32-,33-,34-,35?,38-,44-,45+,46-,47-/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)C2=CC(=CN2)C(=O)C
InChI: InChI=1S/C18H26N2O4/c1-10-6-5-7-15(11(10)2)20-17(22)13(4)24-18(23)16-8-14(9-19-16)12(3)21/h8-11,13,15,19H,5-7H2,1-4H3,(H,20,22)/t10-,11+,13+,15-/m0/s1
SMILES: C1=CC(=O)N([C@H]2[C@@H]1NN=N2)[C@@H]3[C@@H]([C@@H]([C@@H](O3)CO)O)O
InChI: InChI=1S/C10H14N4O5/c15-3-5-7(17)8(18)10(19-5)14-6(16)2-1-4-9(14)12-13-11-4/h1-2,4-5,7-10,15,17-18H,3H2,(H,11,12)/t4-,5+,7-,8-,9+,10+/m1/s1
SMILES: COC1=CC(=C(C=C1)OC)C=CC2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)C[C@]6(C(=O)N(C(=O)[C@]6([C@H]5C7=C(C=C(C=C7)O)Cl)Cl)C8=CC=C(C=C8)F)Cl
InChI: InChI=1S/C42H32Cl3FN2O7/c1-54-28-14-18-34(55-2)23(19-28)6-3-22-4-9-25(10-5-22)47-37(50)31-17-16-29-32(35(31)38(47)51)21-41(44)39(52)48(26-11-7-24(46)8-12-26)40(53)42(41,45)36(29)30-15-13-27(49)20-33(30)43/h3-16,18-20,31-32,35-36,49H,17,21H2,1-2H3/t31-,32+,35-,36+,41+,42-/m0/s1
SMILES: CC1=C(C=CC(=C1)[C@H]2C3=CCN4C(=O)N(C(=O)N4[C@@H]3C[C@@]5([C@]2(C(=O)C(=C(C5=O)Cl)Cl)Cl)Cl)C6=CC=CC=C6)O
InChI: InChI=1S/C27H19Cl4N3O5/c1-13-11-14(7-8-18(13)35)19-16-9-10-32-24(38)33(15-5-3-2-4-6-15)25(39)34(32)17(16)12-26(30)22(36)20(28)21(29)23(37)27(19,26)31/h2-9,11,17,19,35H,10,12H2,1H3/t17-,19+,26-,27+/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)[C@H](C3=CC[C@H]4[C@@H]([C@@H]3C2)C(=O)N(C4=O)CCC5=CC=C(C=C5)O)C6=CC(=C(C(=C6)I)O)OC
InChI: InChI=1S/C32H28INO7/c1-15-11-24(36)22-14-21-19(26(28(22)29(15)37)17-12-23(33)30(38)25(13-17)41-2)7-8-20-27(21)32(40)34(31(20)39)10-9-16-3-5-18(35)6-4-16/h3-7,11-13,20-21,26-27,35,38H,8-10,14H2,1-2H3/t20-,21+,26-,27-/m0/s1
SMILES: CC(CCCCl)(C/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O)O
InChI: InChI=1S/C20H31ClO5/c1-20(26,12-7-13-21)11-6-9-16-15(17(22)14-18(16)23)8-4-2-3-5-10-19(24)25/h2,4,6,9,15-16,18,23,26H,3,5,7-8,10-14H2,1H3,(H,24,25)/b4-2-,9-6+/t15-,16-,18-,20?/m1/s1
SMILES: C[C@H]1C[C@]2([C@H]([C@H]1OC(=O)C3=CC=CC=C3)[C@H]([C@@]4(C[C@@H]5[C@H]([C@@H](C(C5=O)(C)C)OC(=O)C)[C@]([C@H]2OC(=O)C)(C4OC(=O)C)C)OC(=O)C)OC(=O)COC(=O)C)O
InChI: InChI=1S/C39H48O16/c1-18-15-38(48)28(29(18)54-33(47)24-13-11-10-12-14-24)32(53-26(45)17-49-19(2)40)39(55-23(6)44)16-25-27(31(50-20(3)41)36(7,8)30(25)46)37(9,34(38)51-21(4)42)35(39)52-22(5)43/h10-14,18,25,27-29,31-32,34-35,48H,15-17H2,1-9H3/t18-,25+,27+,28+,29-,31-,32+,34+,35?,37+,38+,39+/m0/s1
SMILES: CC1(OC[C@@H]([C@H](O1)C[NH+]2CCCC2)OS(=O)(=O)[O-])C
InChI: InChI=1S/C11H21NO6S/c1-11(2)16-8-10(18-19(13,14)15)9(17-11)7-12-5-3-4-6-12/h9-10H,3-8H2,1-2H3,(H,13,14,15)/t9-,10+/m1/s1
SMILES: C[C@H](CCC(=O)OCC1=CC=C(C=C1)OC)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3[C@@H](CC5[C@@]4(CC[C@H](C5)OC(=O)CCC6=CC(=CC=C6)N(CCBr)CCBr)C)O)C
InChI: InChI=1S/C45H63Br2NO6/c1-30(8-16-41(50)53-29-32-9-12-35(52-4)13-10-32)37-14-15-38-43-39(19-21-45(37,38)3)44(2)20-18-36(27-33(44)28-40(43)49)54-42(51)17-11-31-6-5-7-34(26-31)48(24-22-46)25-23-47/h5-7,9-10,12-13,26,30,33,36-40,43,49H,8,11,14-25,27-29H2,1-4H3/t30-,33?,36-,37-,38+,39+,40-,43+,44+,45-/m1/s1
SMILES: CC(C)(C)C(=O)SCCOP(=O)(CP(=O)(OCCSC(=O)C(C)(C)C)OC[C@@H]1[C@H](C([C@@H](O1)N2C=CC(=NC2=O)N)(F)F)O)O
InChI: InChI=1S/C24H39F2N3O11P2S2/c1-22(2,3)19(31)43-11-9-37-41(34,35)14-42(36,38-10-12-44-20(32)23(4,5)6)39-13-15-17(30)24(25,26)18(40-15)29-8-7-16(27)28-21(29)33/h7-8,15,17-18,30H,9-14H2,1-6H3,(H,34,35)(H2,27,28,33)/t15-,17-,18-,42?/m1/s1
SMILES: COC(=O)[C@@H]1CC2(CCN(CC2)CC3=CC=CC=C3)N4[C@@H]1CCC4
InChI: InChI=1S/C20H28N2O2/c1-24-19(23)17-14-20(22-11-5-8-18(17)22)9-12-21(13-10-20)15-16-6-3-2-4-7-16/h2-4,6-7,17-18H,5,8-15H2,1H3/t17-,18-/m1/s1
SMILES: CCC[C@@]1(C[C@@H](N[C@@H]([C@H]1CC)C2=CC=CC=C2)C3=CC=CC=C3)O
InChI: InChI=1S/C22H29NO/c1-3-15-22(24)16-20(17-11-7-5-8-12-17)23-21(19(22)4-2)18-13-9-6-10-14-18/h5-14,19-21,23-24H,3-4,15-16H2,1-2H3/t19-,20-,21-,22+/m1/s1
SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CN2CC[C@H]3CCCC[C@@H]3C2
InChI: InChI=1S/C18H25N3O4/c1-25-17-10-15(21(23)24)6-7-16(17)19-18(22)12-20-9-8-13-4-2-3-5-14(13)11-20/h6-7,10,13-14H,2-5,8-9,11-12H2,1H3,(H,19,22)/t13-,14-/m1/s1
SMILES: CC(C)(C)OC1=CC2=C(C=C1)[C@@H]3[C@@H](CC2)[C@@H]4CC[C@H]([C@@]45C[C@@H]3C(=O)O5)C=C
InChI: InChI=1S/C24H30O3/c1-5-15-7-11-20-18-9-6-14-12-16(26-23(2,3)4)8-10-17(14)21(18)19-13-24(15,20)27-22(19)25/h5,8,10,12,15,18-21H,1,6-7,9,11,13H2,2-4H3/t15-,18+,19+,20+,21-,24+/m1/s1
SMILES: CC(C)N(C[C@@H]1[C@@H](CC2=C(N1)C=CC(=C2)OC)OC3=CC=C(C=C3)F)C(C)C
InChI: InChI=1S/C23H31FN2O2/c1-15(2)26(16(3)4)14-22-23(28-19-8-6-18(24)7-9-19)13-17-12-20(27-5)10-11-21(17)25-22/h6-12,15-16,22-23,25H,13-14H2,1-5H3/t22-,23-/m1/s1
SMILES: CC[C@H](C)[C@@H](C(=O)NCC1=NC2=CC=CC=C2N1)NC(=O)[C@H](CC3=CC=CC=C3)C[C@H](CN4C[C@H]5CCCC[C@H]5C[C@H]4C(=O)NC(C)(C)C)O[Si](C)(C)C(C)C
InChI: InChI=1S/C45H70N6O4Si/c1-10-31(4)41(44(54)46-27-40-47-37-22-16-17-23-38(37)48-40)49-42(52)35(24-32-18-12-11-13-19-32)25-36(55-56(8,9)30(2)3)29-51-28-34-21-15-14-20-33(34)26-39(51)43(53)50-45(5,6)7/h11-13,16-19,22-23,30-31,33-36,39,41H,10,14-15,20-21,24-29H2,1-9H3,(H,46,54)(H,47,48)(H,49,52)(H,50,53)/t31-,33-,34+,35+,36+,39-,41-/m0/s1
SMILES: CC(=C=C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O[Si](C)(C)C(C)(C)C)C)C
InChI: InChI=1S/C29H48OSi/c1-10-20(2)24-13-14-25-23-12-11-21-19-22(30-31(8,9)27(3,4)5)15-17-28(21,6)26(23)16-18-29(24,25)7/h11,22-26H,1,12-19H2,2-9H3/t22-,23-,24+,25-,26-,28-,29+/m0/s1
SMILES: CC(C)[C@@H](C(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=NC(=NC(=C3SC2=O)NC)N)O)O)N
InChI: InChI=1S/C16H24N6O6S/c1-5(2)7(17)14(25)27-4-6-8(23)9(24)13(28-6)22-12-10(29-16(22)26)11(19-3)20-15(18)21-12/h5-9,13,23-24H,4,17H2,1-3H3,(H3,18,19,20,21)/t6-,7+,8-,9-,13-/m1/s1
SMILES: CCCC[Sn](CCCC)(CCCC)C[C@H]1CN(C[C@@H]1C(C)C)C(C)(C)[C@@H]2CC[C@H](C[C@H]2O)C
InChI: InChI=1S/C18H34NO.3C4H9.Sn/c1-12(2)15-11-19(10-14(15)4)18(5,6)16-8-7-13(3)9-17(16)20;3*1-3-4-2;/h12-17,20H,4,7-11H2,1-3,5-6H3;3*1,3-4H2,2H3;/t13-,14+,15-,16-,17-;;;;/m1..../s1
SMILES: C1[C@@H]([C@H]([C@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O
InChI: InChI=1S/C27H30O5/c28-24-19-30-25(20-29-16-21-10-4-1-5-11-21)27(32-18-23-14-8-3-9-15-23)26(24)31-17-22-12-6-2-7-13-22/h1-15,24-28H,16-20H2/t24-,25+,26+,27-/m0/s1
SMILES: C1COCC1C(=O)N(CC2=CC=C(C=C2)Cl)[C@@H]3C=C([C@H]4[C@@H]([C@H]3O)OC5=CC=CC=C45)C(=O)NCCO
InChI: InChI=1S/C27H29ClN2O6/c28-18-7-5-16(6-8-18)14-30(27(34)17-9-12-35-15-17)21-13-20(26(33)29-10-11-31)23-19-3-1-2-4-22(19)36-25(23)24(21)32/h1-8,13,17,21,23-25,31-32H,9-12,14-15H2,(H,29,33)/t17?,21-,23+,24+,25+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)[S@@](=O)CCC#N)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C17H23NO10S/c1-9(19)24-8-13-14(25-10(2)20)15(26-11(3)21)16(27-12(4)22)17(28-13)29(23)7-5-6-18/h13-17H,5,7-8H2,1-4H3/t13-,14-,15+,16-,17+,29+/m1/s1
SMILES: CCOC(=O)[C@H]1[C@@H]2C[C@H]([C@@H]([C@H]2[Se]C3=CC=CC=C3)N1C(=O)C)Br
InChI: InChI=1S/C17H20BrNO3Se/c1-3-22-17(21)14-12-9-13(18)15(19(14)10(2)20)16(12)23-11-7-5-4-6-8-11/h4-8,12-16H,3,9H2,1-2H3/t12-,13+,14+,15-,16-/m0/s1
SMILES: CCCC(=O)O[C@@H]1[C@H]([C@@]2(C[C@H](CC(=C[C@H]2[C@H]3[C@@]1(C3(C)C)OC(=O)CCC)CO)O)O)C
InChI: InChI=1S/C24H38O7/c1-6-8-18(27)30-21-14(3)23(29)12-16(26)10-15(13-25)11-17(23)20-22(4,5)24(20,21)31-19(28)9-7-2/h11,14,16-17,20-21,25-26,29H,6-10,12-13H2,1-5H3/t14-,16+,17+,20-,21-,23-,24-/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@H]3[C@H](CN([C@H](C(=O)N3)[C@@H](COC(=O)C4=CC=CC=C4)OCOC)C)OC(=O)C5=CC=CC=C5
InChI: InChI=1S/C41H48N2O8Si/c1-41(2,3)52(32-22-14-8-15-23-32,33-24-16-9-17-25-33)50-27-34-35(51-40(46)31-20-12-7-13-21-31)26-43(4)37(38(44)42-34)36(49-29-47-5)28-48-39(45)30-18-10-6-11-19-30/h6-25,34-37H,26-29H2,1-5H3,(H,42,44)/t34-,35-,36+,37-/m0/s1
SMILES: C1[C@@H]2C[C@@H]3[C@H]1[C@@H]([C@@H]2C(=O)OCC(=O)NC4=C(C=CC(=C4)Cl)Cl)C(=O)O3
InChI: InChI=1S/C17H15Cl2NO5/c18-8-1-2-10(19)11(5-8)20-13(21)6-24-16(22)14-7-3-9-12(4-7)25-17(23)15(9)14/h1-2,5,7,9,12,14-15H,3-4,6H2,(H,20,21)/t7-,9+,12-,14-,15+/m1/s1
SMILES: CC[C@@H]1CC[C@@H]([C@H]1N(CC2=CC=CC=C2)[C@@H](C)C3=CC=CC=C3)C(=O)OC(C)(C)C
InChI: InChI=1S/C27H37NO2/c1-6-22-17-18-24(26(29)30-27(3,4)5)25(22)28(19-21-13-9-7-10-14-21)20(2)23-15-11-8-12-16-23/h7-16,20,22,24-25H,6,17-19H2,1-5H3/t20-,22+,24-,25-/m0/s1
SMILES: CN(CCC1=CC(=C(C=C1)Cl)Cl)[C@@H]2CCCC[C@@H]2N3CCCC3
InChI: InChI=1S/C19H28Cl2N2/c1-22(13-10-15-8-9-16(20)17(21)14-15)18-6-2-3-7-19(18)23-11-4-5-12-23/h8-9,14,18-19H,2-7,10-13H2,1H3/t18-,19+/m1/s1
SMILES: C[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]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)NC(=O)C)O)CO)O)O)O
InChI: InChI=1S/C20H35NO15/c1-5-10(25)12(27)14(29)19(32-5)35-16-8(4-23)33-18(31)9(21-6(2)24)17(16)36-20-15(30)13(28)11(26)7(3-22)34-20/h5,7-20,22-23,25-31H,3-4H2,1-2H3,(H,21,24)/t5-,7+,8+,9+,10+,11-,12+,13-,14-,15+,16+,17+,18+,19-,20-/m0/s1
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C2=NO[C@@H]3[C@H]2C(=O)N(C3=O)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C17H10ClN3O5/c18-10-4-6-11(7-5-10)20-16(22)13-14(19-26-15(13)17(20)23)9-2-1-3-12(8-9)21(24)25/h1-8,13,15H/t13-,15+/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@@H]2[C@H]3[C@@H](/C(=N/Br)/O2)OC(O3)(C)C)C
InChI: InChI=1S/C12H18BrNO5/c1-11(2)15-5-6(17-11)7-8-9(10(14-13)16-7)19-12(3,4)18-8/h6-9H,5H2,1-4H3/b14-10-/t6-,7-,8+,9+/m1/s1
SMILES: C1C=C[C@@H]2[C@@H]1CN3C[C@H]4CC=C[C@H]4C5=C3C2=CC(=C5)C(=O)NC6=CC=C(C=C6)Cl
InChI: InChI=1S/C25H23ClN2O/c26-18-7-9-19(10-8-18)27-25(29)17-11-22-20-5-1-3-15(20)13-28-14-16-4-2-6-21(16)23(12-17)24(22)28/h1-2,5-12,15-16,20-21H,3-4,13-14H2,(H,27,29)/t15-,16+,20-,21-/m1/s1
SMILES: C[C@]12CCC3C(C1CC[C@@H]2O)/C(=N/O)/[C@@H](C4=C3C=CC(=C4)OC)O
InChI: InChI=1S/C19H25NO4/c1-19-8-7-12-11-4-3-10(24-2)9-13(11)18(22)17(20-23)16(12)14(19)5-6-15(19)21/h3-4,9,12,14-16,18,21-23H,5-8H2,1-2H3/b20-17-/t12?,14?,15-,16?,18+,19-/m0/s1
SMILES: C[C@@]12CC[C@@H]3[C@H]([C@@H]1CC[C@H]2OC(=O)C4=CC=CC=C4)C[C@@H]5[C@@]6([C@@]3(CC[C@@H](C6)O)CO5)Br
InChI: InChI=1S/C26H33BrO4/c1-24-11-10-20-18(13-22-26(27)14-17(28)9-12-25(20,26)15-30-22)19(24)7-8-21(24)31-23(29)16-5-3-2-4-6-16/h2-6,17-22,28H,7-15H2,1H3/t17-,18-,19-,20+,21+,22+,24+,25-,26-/m0/s1
SMILES: C1=CC=C2C(=C1)C=CC3=CC4=C(C5=C(C=C4)[C@@H]([C@H]([C@H]([C@H]5O)O)O)O)N=C32
InChI: InChI=1S/C21H17NO4/c23-18-14-8-7-12-9-11-6-5-10-3-1-2-4-13(10)16(11)22-17(12)15(14)19(24)21(26)20(18)25/h1-9,18-21,23-26H/t18-,19-,20+,21-/m0/s1
SMILES: C[C@]12CC[C@@H](C[C@H]1CCC34C2CC[C@]5([C@]3(O4)CC[C@@H]5C6=CC(=O)OC6)C)O
InChI: InChI=1S/C23H32O4/c1-20-7-4-16(24)12-15(20)3-9-22-18(20)6-8-21(2)17(5-10-23(21,22)27-22)14-11-19(25)26-13-14/h11,15-18,24H,3-10,12-13H2,1-2H3/t15-,16+,17-,18?,20+,21-,22?,23-/m1/s1
SMILES: C[C@@]1(CC[C@@H](C[C@@H]1CNCC2=CN=CC=C2)O)C3CC[C@@]4(C([C@H]3CO)CCC4=C)C
InChI: InChI=1S/C26H40N2O2/c1-18-6-7-23-22(17-29)24(9-11-25(18,23)2)26(3)10-8-21(30)13-20(26)16-28-15-19-5-4-12-27-14-19/h4-5,12,14,20-24,28-30H,1,6-11,13,15-17H2,2-3H3/t20-,21+,22-,23?,24?,25+,26+/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC=C4CNC(=O)CCCCCNC(=O)C)CN5CCC(CC5)N6C7=CC=CC=C7NC6=O
InChI: InChI=1S/C46H55N5O6/c1-31-42(29-50-26-23-38(24-27-50)51-41-13-8-7-12-40(41)49-46(51)55)56-45(57-44(31)35-17-15-33(30-52)16-18-35)36-21-19-34(20-22-36)39-11-6-5-10-37(39)28-48-43(54)14-4-3-9-25-47-32(2)53/h5-8,10-13,15-22,31,38,42,44-45,52H,3-4,9,14,23-30H2,1-2H3,(H,47,53)(H,48,54)(H,49,55)/t31-,42+,44+,45+/m0/s1
SMILES: C[C@@H]1[C@H]([C@@H]([C@@]2([C@@H]([C@@]1(C)CC[C@H]3CCOC3=O)C[C@H](C[C@]24CO4)OC(=O)C(C)C)C=O)OC(=O)C)OC(=O)C
InChI: InChI=1S/C28H40O10/c1-15(2)24(32)38-20-11-21-26(6,9-7-19-8-10-34-25(19)33)16(3)22(36-17(4)30)23(37-18(5)31)28(21,13-29)27(12-20)14-35-27/h13,15-16,19-23H,7-12,14H2,1-6H3/t16-,19+,20-,21-,22-,23+,26+,27+,28+/m1/s1
SMILES: COC1=C(C(=CC(=C1)C=O)I)O[C@H]2C=C(C[C@H]([C@@H]2O)N(C3CCCCC3)C(=O)CC4CCCC4)C(=O)NCCO
InChI: InChI=1S/C30H41IN2O7/c1-39-26-14-20(18-35)13-23(31)29(26)40-25-17-21(30(38)32-11-12-34)16-24(28(25)37)33(22-9-3-2-4-10-22)27(36)15-19-7-5-6-8-19/h13-14,17-19,22,24-25,28,34,37H,2-12,15-16H2,1H3,(H,32,38)/t24-,25+,28+/m1/s1
SMILES: CC(=O)O[C@H]1[C@@H]2CC3=C4CC(=O)O[C@H]([C@@]4(CCC3C(C2=O)([C@H](C1(C)C)CC(=O)OC)C)C)C5=COC=C5
InChI: InChI=1S/C29H36O8/c1-15(30)36-26-18-11-17-19(29(5,24(18)33)21(27(26,2)3)13-22(31)34-6)7-9-28(4)20(17)12-23(32)37-25(28)16-8-10-35-14-16/h8,10,14,18-19,21,25-26H,7,9,11-13H2,1-6H3/t18-,19?,21+,25+,26+,28-,29?/m1/s1
SMILES: CC(=O)O[C@@H]1CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4OS(=O)(=O)C(F)(F)F)C)C
InChI: InChI=1S/C22H31F3O5S/c1-13(26)29-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(21(17,3)11-9-18(16)20)30-31(27,28)22(23,24)25/h7,14-18H,4-6,8-12H2,1-3H3/t14-,15+,16-,17-,18-,20-,21-/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=CC=CC=C5O)C(=O)N(C4=O)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F
InChI: InChI=1S/C31H21F6NO5/c1-13-8-23(40)26-21(27(13)41)12-20-17(24(26)18-4-2-3-5-22(18)39)6-7-19-25(20)29(43)38(28(19)42)16-10-14(30(32,33)34)9-15(11-16)31(35,36)37/h2-6,8-11,19-20,24-25,39H,7,12H2,1H3/t19-,20+,24+,25-/m0/s1
SMILES: CC1=CN(C(=O)N(C1=O)CCCCCF)[C@H]2C[C@@H]([C@H](O2)COC3CCCCO3)OC4CCCCO4
InChI: InChI=1S/C25H39FN2O7/c1-18-16-28(25(30)27(24(18)29)12-6-2-5-11-26)21-15-19(35-23-10-4-8-14-32-23)20(34-21)17-33-22-9-3-7-13-31-22/h16,19-23H,2-15,17H2,1H3/t19-,20+,21+,22?,23?/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)C2=C(C=CC=C2OC)OC
InChI: InChI=1S/C20H29NO5/c1-12-8-6-9-15(13(12)2)21-19(22)14(3)26-20(23)18-16(24-4)10-7-11-17(18)25-5/h7,10-15H,6,8-9H2,1-5H3,(H,21,22)/t12-,13+,14+,15+/m0/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)CC5=C([C@H]4C6=C(C7=CC=CC=C7C=C6)O)C(=O)C=C(C5=O)Br)Cl
InChI: InChI=1S/C33H23BrClNO5/c1-15-6-8-17(12-25(15)35)36-32(40)21-11-10-19-22(28(21)33(36)41)13-23-29(26(37)14-24(34)31(23)39)27(19)20-9-7-16-4-2-3-5-18(16)30(20)38/h2-10,12,14,21-22,27-28,38H,11,13H2,1H3/t21-,22+,27+,28-/m0/s1
SMILES: C/C(=C\[C@H](C[C@@]12CO[C@]3([C@@H]1C[C@@H]2CC3)C)O)/C(=O)O
InChI: InChI=1S/C15H22O4/c1-9(13(17)18)5-11(16)7-15-8-19-14(2)4-3-10(15)6-12(14)15/h5,10-12,16H,3-4,6-8H2,1-2H3,(H,17,18)/b9-5+/t10-,11+,12-,14+,15-/m0/s1
SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3N4C(=NN=N4)SCC5=CC=CO5
InChI: InChI=1S/C21H21N5O6S/c1-12(27)13-4-6-14(7-5-13)22-21(28)32-17-10-31-18-16(9-30-19(17)18)26-20(23-24-25-26)33-11-15-3-2-8-29-15/h2-8,16-19H,9-11H2,1H3,(H,22,28)/t16-,17+,18+,19+/m0/s1
SMILES: CC1=C(C=C(C=C1)N2C(=O)[C@@H]3[C@@H](N(O[C@H]3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)F)C
InChI: InChI=1S/C25H21FN2O3/c1-15-8-13-20(14-16(15)2)27-24(29)21-22(17-9-11-18(26)12-10-17)28(31-23(21)25(27)30)19-6-4-3-5-7-19/h3-14,21-23H,1-2H3/t21-,22+,23-/m1/s1
SMILES: CN(CCCC1=CC=CC=C1)[C@@H]2CCCC[C@H]2N(C)CCCC3=CC=CC=C3
InChI: InChI=1S/C26H38N2/c1-27(21-11-17-23-13-5-3-6-14-23)25-19-9-10-20-26(25)28(2)22-12-18-24-15-7-4-8-16-24/h3-8,13-16,25-26H,9-12,17-22H2,1-2H3/t25-,26-/m1/s1
SMILES: CC[C@H](C)C(=O)OC1CCC=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O)O)O
InChI: InChI=1S/C23H36O6/c1-4-14(2)23(28)29-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-17(24)12-18(25)13-21(26)27/h6,8-9,14-15,17-20,22,24-25H,4-5,7,10-13H2,1-3H3,(H,26,27)/t14-,15-,17+,18+,19-,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)C4=CC=CC=C4CNC(=O)C(Cl)(Cl)Cl)CSC5=NN=NN5C
InChI: InChI=1S/C30H30Cl3N5O4S/c1-18-25(17-43-29-35-36-37-38(29)2)41-27(42-26(18)21-9-7-19(16-39)8-10-21)22-13-11-20(12-14-22)24-6-4-3-5-23(24)15-34-28(40)30(31,32)33/h3-14,18,25-27,39H,15-17H2,1-2H3,(H,34,40)/t18-,25+,26+,27+/m0/s1
SMILES: CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)[C@H](C3=CC=CO3)NC(=O)OCC4=CC=CC=C4)OCC5=CC=CC=C5)C
InChI: InChI=1S/C27H29NO7/c1-27(2)34-24-23(31-16-18-10-5-3-6-11-18)22(33-25(24)35-27)21(20-14-9-15-30-20)28-26(29)32-17-19-12-7-4-8-13-19/h3-15,21-25H,16-17H2,1-2H3,(H,28,29)/t21-,22+,23-,24+,25+/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=C(C5=CC=CC=C5C=C4)O)C6=CC=CC=C6)C7=CC(=CC=C7)Cl)[C@@H]8[C@H]1C(=O)N(C8=O)CC9=CC=CS9
InChI: InChI=1S/C41H31ClN2O5S/c42-25-11-6-12-26(20-25)44-38(47)33-21-32-29(17-18-30-34(32)39(48)43(37(30)46)22-27-13-7-19-50-27)35(41(33,40(44)49)24-9-2-1-3-10-24)31-16-15-23-8-4-5-14-28(23)36(31)45/h1-17,19-20,30,32-35,45H,18,21-22H2/t30-,32+,33-,34-,35+,41+/m0/s1
SMILES: CCOC(=O)[C@H]1[C@H](CC2=NC(=C([C@H](C2C1=O)C3=CC=CC=C3)C(=O)OCC)C)C4=CC(=CC=C4)OC
InChI: InChI=1S/C29H31NO6/c1-5-35-28(32)23-17(3)30-22-16-21(19-13-10-14-20(15-19)34-4)25(29(33)36-6-2)27(31)26(22)24(23)18-11-8-7-9-12-18/h7-15,21,24-26H,5-6,16H2,1-4H3/t21-,24-,25+,26?/m1/s1
SMILES: C[C@@H]1CC2=C(C=CC(=C2)OC(=O)C)[C@@H]3[C@@H]1[C@@H]4CC=C([C@]4(CC3)C)OC(=O)C
InChI: InChI=1S/C23H28O4/c1-13-11-16-12-17(26-14(2)24)5-6-18(16)19-9-10-23(4)20(22(13)19)7-8-21(23)27-15(3)25/h5-6,8,12-13,19-20,22H,7,9-11H2,1-4H3/t13-,19-,20+,22-,23+/m1/s1
SMILES: COC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C=C(C=C2)CO)[N+](=O)[O-])O)O)O
InChI: InChI=1S/C14H17NO10/c1-23-13(20)12-10(18)9(17)11(19)14(25-12)24-8-3-2-6(5-16)4-7(8)15(21)22/h2-4,9-12,14,16-19H,5H2,1H3/t9-,10-,11+,12-,14+/m0/s1
SMILES: C[NH+]1C[C@H]2[C@H](/[N+](=C(/N)\SC)/N=C2/C(=C/C3=CC=C(C=C3)OC)/C1)C4=CC=C(C=C4)OC.[Cl-].[Cl-]
InChI: InChI=1S/C24H28N4O2S.2ClH/c1-27-14-18(13-16-5-9-19(29-2)10-6-16)22-21(15-27)23(28(26-22)24(25)31-4)17-7-11-20(30-3)12-8-17;;/h5-13,21,23,25H,14-15H2,1-4H3;2*1H/b18-13+;;/t21-,23-;;/m1../s1
SMILES: C[C@]12CCC[C@]([C@@H]1CCC(=C)[C@@H]2CCC3=C(OC=C3)/C=C/C(=O)[O-])(C)C(=O)OC
InChI: InChI=1S/C24H32O5/c1-16-6-10-20-23(2,13-5-14-24(20,3)22(27)28-4)18(16)8-7-17-12-15-29-19(17)9-11-21(25)26/h9,11-12,15,18,20H,1,5-8,10,13-14H2,2-4H3,(H,25,26)/p-1/b11-9+/t18-,20+,23+,24-/m0/s1
SMILES: CC(C)C1=CC=C(C=C1)[C@@H]2[C@@H]([C@@](CC(=C2C(=O)C)NC3=CC=C(C=C3)Br)(C)O)C(=O)C
InChI: InChI=1S/C26H30BrNO3/c1-15(2)18-6-8-19(9-7-18)24-23(16(3)29)22(14-26(5,31)25(24)17(4)30)28-21-12-10-20(27)11-13-21/h6-13,15,24-25,28,31H,14H2,1-5H3/t24-,25-,26-/m0/s1
SMILES: C[C@@H]1[C@@]2([C@@H](O2)[C@](O1)(C)/C=C(\C)/C=C(\C)/[C@H]3[C@](O3)(C)C4=C(C(=C(C(=O)O4)C)OC)C)C
InChI: InChI=1S/C24H32O6/c1-12(11-22(6)21-23(7,30-21)16(5)28-22)10-13(2)18-24(8,29-18)19-14(3)17(26-9)15(4)20(25)27-19/h10-11,16,18,21H,1-9H3/b12-11+,13-10+/t16-,18+,21+,22+,23-,24-/m1/s1
SMILES: CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)N3CCC(=O)C[C@H]3C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)CC6=CC(=CC=C6)NC)C
InChI: InChI=1S/C44H52N8O10/c1-5-30-41(58)51-20-11-16-31(51)42(59)50(4)33(23-26-12-9-15-28(22-26)45-3)43(60)52-21-18-29(53)24-32(52)38(55)49-36(27-13-7-6-8-14-27)44(61)62-25(2)35(39(56)47-30)48-40(57)37-34(54)17-10-19-46-37/h6-10,12-15,17,19,22,25,30-33,35-36,45,54H,5,11,16,18,20-21,23-24H2,1-4H3,(H,47,56)(H,48,57)(H,49,55)/t25-,30-,31+,32+,33+,35+,36+/m1/s1
SMILES: C1CC2C(O2)CC1C=CC3=CC=CC=C3CN4[C@H]5C(=O)O[C@@H]6C[C@]5([C@H](O4)[C@@H]7[C@H]6OC8(O7)CC9=CC=CC=C9C8)C(=O)NCC1=CC(=CC=C1)C(=O)NCCO
InChI: InChI=1S/C43H45N3O9/c47-17-16-44-39(48)28-11-5-6-26(18-28)23-45-41(50)43-22-34-35-36(54-42(53-35)20-29-8-2-3-9-30(29)21-42)38(43)55-46(37(43)40(49)52-34)24-31-10-4-1-7-27(31)14-12-25-13-15-32-33(19-25)51-32/h1-12,14,18,25,32-38,47H,13,15-17,19-24H2,(H,44,48)(H,45,50)/t25?,32?,33?,34-,35+,36+,37+,38-,43+/m1/s1
SMILES: CC1=CC2=C(C=C1)N([C@H]3[C@@H]2C[NH+](CC3)C)C(=O)/C=C/C4=CC=C(C=C4)OC
InChI: InChI=1S/C23H26N2O2/c1-16-4-10-21-19(14-16)20-15-24(2)13-12-22(20)25(21)23(26)11-7-17-5-8-18(27-3)9-6-17/h4-11,14,20,22H,12-13,15H2,1-3H3/p+1/b11-7+/t20-,22-/m1/s1
SMILES: CN(C)[C@H]1[C@@H](N([C@@H](C2=CC=CC=C12)C#N)S(=O)(=O)C)OC
InChI: InChI=1S/C14H19N3O3S/c1-16(2)13-11-8-6-5-7-10(11)12(9-15)17(14(13)20-3)21(4,18)19/h5-8,12-14H,1-4H3/t12-,13-,14+/m1/s1
SMILES: CC1([C@H]2[C@@H](C(=O)N(C1=O)C3=CC=C(C=C3)Br)C(=O)OC4=CC=CC=C24)C
InChI: InChI=1S/C20H16BrNO4/c1-20(2)16-13-5-3-4-6-14(13)26-18(24)15(16)17(23)22(19(20)25)12-9-7-11(21)8-10-12/h3-10,15-16H,1-2H3/t15-,16+/m0/s1
SMILES: CCOC(=O)[C@H]1[C@H]([C@@H]([C@@](CC1=O)(C)O)C(=O)OCC)C2=CC(=C(C=C2)OC)OC
InChI: InChI=1S/C21H28O8/c1-6-28-19(23)17-13(22)11-21(3,25)18(20(24)29-7-2)16(17)12-8-9-14(26-4)15(10-12)27-5/h8-10,16-18,25H,6-7,11H2,1-5H3/t16-,17-,18-,21+/m1/s1
SMILES: CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)CC(C)(C)C(=O)O)C)C(=O)NCCCCCNC(=O)C
InChI: InChI=1S/C43H70N2O6/c1-27(2)29-16-21-43(36(48)45-25-13-11-12-24-44-28(3)46)23-22-41(9)30(35(29)43)14-15-32-40(8)19-18-33(51-34(47)26-38(4,5)37(49)50)39(6,7)31(40)17-20-42(32,41)10/h29-33,35H,1,11-26H2,2-10H3,(H,44,46)(H,45,48)(H,49,50)/t29-,30+,31-,32+,33-,35+,40-,41+,42+,43-/m0/s1
SMILES: C[C@H]1[C@@H](OC(=O)[C@@H]([C@H]1O)C)C[C@@H](C=C(C)C)O
InChI: InChI=1S/C13H22O4/c1-7(2)5-10(14)6-11-8(3)12(15)9(4)13(16)17-11/h5,8-12,14-15H,6H2,1-4H3/t8-,9+,10+,11-,12-/m0/s1
SMILES: CC(=O)O[C@@H]1[C@H](OC2=CC=CC=C2[C@H]1OC(=O)C)C3=CC=C(C=C3)OC
InChI: InChI=1S/C20H20O6/c1-12(21)24-19-16-6-4-5-7-17(16)26-18(20(19)25-13(2)22)14-8-10-15(23-3)11-9-14/h4-11,18-20H,1-3H3/t18-,19-,20-/m1/s1