EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O)COS(=O)(=O)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
InChI: InChI=1S/C14H23NO15S/c1-3(16)15-5-10(6(17)4(28-13(5)23)2-27-31(24,25)26)29-14-9(20)7(18)8(19)11(30-14)12(21)22/h4-11,13-14,17-20,23H,2H2,1H3,(H,15,16)(H,21,22)(H,24,25,26)/t4-,5-,6+,7+,8+,9-,10-,11+,13+,14-/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2C[C@H]3C[C@H]2C(=C)C3(C)C
InChI: InChI=1S/C17H23NO2S/c1-11-5-7-14(8-6-11)21(19,20)18-16-10-13-9-15(16)12(2)17(13,3)4/h5-8,13,15-16,18H,2,9-10H2,1,3-4H3/t13-,15+,16-/m1/s1
SMILES: CC(=O)O[C@@H]1[C@@]2(C=C3[C@H](CC[C@@]4([C@H]3CC(=O)O[C@H]4C5=COC=C5)C)[C@@](C2=O)([C@H](C1(C)C)[C@H](C(=O)OC)OC(=O)C)C)O
InChI: InChI=1S/C31H38O11/c1-15(32)40-22(25(35)38-7)23-28(3,4)27(41-16(2)33)31(37)13-18-19(30(23,6)26(31)36)8-10-29(5)20(18)12-21(34)42-24(29)17-9-11-39-14-17/h9,11,13-14,19-20,22-24,27,37H,8,10,12H2,1-7H3/t19-,20-,22+,23-,24-,27-,29+,30+,31-/m0/s1
SMILES: COC1=C(C=CC(=C1)[C@H]2[C@@H](O[C@H]3[C@H](O2)[C@H]([C@H]4[C@H](O3)CO[C@H](O4)C5=CC=CC=C5)OC(=O)[C@@](C6=CC=CC=C6)(C(F)(F)F)OC)COC(=O)[C@@](C7=CC=CC=C7)(C(F)(F)F)OC)O
InChI: InChI=1S/C43H40F6O13/c1-53-29-21-25(19-20-28(29)50)32-30(23-57-38(51)40(54-2,42(44,45)46)26-15-9-5-10-16-26)58-37-35(60-32)34(33-31(59-37)22-56-36(61-33)24-13-7-4-8-14-24)62-39(52)41(55-3,43(47,48)49)27-17-11-6-12-18-27/h4-21,30-37,50H,22-23H2,1-3H3/t30-,31+,32-,33+,34-,35+,36+,37+,40-,41-/m0/s1
SMILES: CCCCCC(/C=C/[C@@H]1[C@H]2C/C(=C/CCCCOC3CCCCO3)/C[C@H]2CC1=O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C32H56O4Si/c1-7-8-10-16-27(36-37(5,6)32(2,3)4)18-19-28-29-23-25(22-26(29)24-30(28)33)15-11-9-13-20-34-31-17-12-14-21-35-31/h15,18-19,26-29,31H,7-14,16-17,20-24H2,1-6H3/b19-18+,25-15+/t26-,27?,28+,29-,31?/m0/s1
SMILES: CCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
InChI: InChI=1S/C24H36O3/c1-4-5-6-22(26)27-21-10-9-19-18-8-7-16-15-17(25)11-13-23(16,2)20(18)12-14-24(19,21)3/h15,18-21H,4-14H2,1-3H3/t18-,19-,20-,21-,23-,24-/m0/s1
SMILES: C=CCC1=C(C(=CC=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC(=CC=C6)Cl)C7=CC=CC=C7)C(=O)N(C4=O)C8=CC=CC=C8)O
InChI: InChI=1S/C41H33ClN2O5/c1-2-11-24-12-9-19-31(36(24)45)35-29-20-21-30-34(39(48)43(37(30)46)27-16-7-4-8-17-27)32(29)23-33-38(47)44(28-18-10-15-26(42)22-28)40(49)41(33,35)25-13-5-3-6-14-25/h2-10,12-20,22,30,32-35,45H,1,11,21,23H2/t30-,32+,33-,34-,35+,41+/m0/s1
SMILES: C[N+]12CCC3=C[C@H]([C@@H]([C@@H]([C@H]31)C4=CC5=C(C=C4C2)OCO5)O)O
InChI: InChI=1S/C17H20NO4/c1-18-3-2-9-4-12(19)17(20)15(16(9)18)11-6-14-13(21-8-22-14)5-10(11)7-18/h4-6,12,15-17,19-20H,2-3,7-8H2,1H3/q+1/t12-,15-,16+,17+,18?/m1/s1
SMILES: CC[C@@]1(CC[C@]2([C@H](C1)CC[C@@H]3[C@H]2CC[C@]4([C@H]3CCC4=O)C)C)O
InChI: InChI=1S/C21H34O2/c1-4-21(23)12-11-19(2)14(13-21)5-6-15-16-7-8-18(22)20(16,3)10-9-17(15)19/h14-17,23H,4-13H2,1-3H3/t14-,15-,16-,17+,19-,20-,21-/m0/s1
SMILES: C1C[NH+](CC[NH+]1CC2=CSC=C2)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O
InChI: InChI=1S/C18H23N3O2S/c22-17-15-3-1-2-4-16(15)18(23)21(17)13-20-8-6-19(7-9-20)11-14-5-10-24-12-14/h1-2,5,10,12,15-16H,3-4,6-9,11,13H2/p+2/t15-,16-/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4C(=O)CCl)C)C
InChI: InChI=1S/C23H33ClO3/c1-14(25)27-16-8-10-22(2)15(12-16)4-5-17-18-6-7-20(21(26)13-24)23(18,3)11-9-19(17)22/h4,16-20H,5-13H2,1-3H3/t16-,17-,18-,19+,20+,22-,23-/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)NCC4=CC=CC=C4)CN5CCN(CC5)C6=NC=CC=N6
InChI: InChI=1S/C36H42N6O4/c1-26-32(24-41-18-20-42(21-19-41)35-37-16-5-17-38-35)45-34(46-33(26)30-12-10-29(25-43)11-13-30)31-14-8-28(9-15-31)23-40-36(44)39-22-27-6-3-2-4-7-27/h2-17,26,32-34,43H,18-25H2,1H3,(H2,39,40,44)/t26-,32+,33+,34+/m1/s1
SMILES: CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)C4C1=CC(=O)CC4.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)O
InChI: InChI=1S/C23H30O4.C18H24O2/c1-13-11-20-18(17-6-5-16(26)12-19(13)17)7-9-22(4)21(20)8-10-23(22,14(2)24)27-15(3)25;1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11-12,17-18,20-21H,5-10H2,1-4H3;3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t17?,18-,20-,21+,22+,23+;14-,15-,16+,17+,18+/m11/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2[C@H](C[C@@H]3[C@H]2CN(C3)C(=O)OC(C)(C)C)COC(=O)[C@@H](C4=CC=CC=C4)OC
InChI: InChI=1S/C29H38N2O7S/c1-19-11-13-23(14-12-19)39(34,35)30-25-22(18-37-27(32)26(36-5)20-9-7-6-8-10-20)15-21-16-31(17-24(21)25)28(33)38-29(2,3)4/h6-14,21-22,24-26,30H,15-18H2,1-5H3/t21-,22+,24+,25+,26+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H]([C@H]4CC5=CC=C(C=C5)F)O)C)C
InChI: InChI=1S/C34H53FO/c1-22(2)7-6-8-23(3)28-15-16-29-26-13-14-30-27(21-24-9-11-25(35)12-10-24)32(36)18-20-34(30,5)31(26)17-19-33(28,29)4/h9-12,22-23,26-32,36H,6-8,13-21H2,1-5H3/t23-,26+,27+,28-,29+,30+,31+,32+,33-,34+/m1/s1
SMILES: C[C@@]1([C@@H](C[C@H]([C@@H](O[C@@H]1CCCO[Si](C)(C)C(C)(C)C)CCOCC2=CC=CC=C2)OCC3=CC=CC=C3)O[Si](C)(C)C(C)(C)C)O
InChI: InChI=1S/C38H64O6Si2/c1-36(2,3)45(8,9)42-25-18-23-34-38(7,39)35(44-46(10,11)37(4,5)6)27-33(41-29-31-21-16-13-17-22-31)32(43-34)24-26-40-28-30-19-14-12-15-20-30/h12-17,19-22,32-35,39H,18,23-29H2,1-11H3/t32-,33+,34+,35+,38+/m0/s1
SMILES: COCCOC(=O)N1C2=CC=CC=C2[C@@]3(C1=O)[C@H]([C@@H]4C(=O)O[C@H]([C@H](N4[C@H]3C5=CC=C(C=C5)O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N
InChI: InChI=1S/C37H33N3O8/c1-46-20-21-47-36(45)39-27-15-9-8-14-26(27)37(35(39)44)28(33(38)42)30-34(43)48-31(23-12-6-3-7-13-23)29(22-10-4-2-5-11-22)40(30)32(37)24-16-18-25(41)19-17-24/h2-19,28-32,41H,20-21H2,1H3,(H2,38,42)/t28-,29-,30-,31+,32+,37-/m1/s1
SMILES: CC1=CC=CC=C1CNC2=C3C(=NC(=N2)Cl)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](S4)C(=O)NC5CC5)O)O
InChI: InChI=1S/C21H23ClN6O3S/c1-10-4-2-3-5-11(10)8-23-17-13-18(27-21(22)26-17)28(9-24-13)20-15(30)14(29)16(32-20)19(31)25-12-6-7-12/h2-5,9,12,14-16,20,29-30H,6-8H2,1H3,(H,25,31)(H,23,26,27)/t14-,15+,16-,20+/m0/s1
SMILES: C[C@H](CC[C@@H](C(C)(C)O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H]([C@H]([C@@H](C3=C)O)OCCCO)O)C
InChI: InChI=1S/C30H50O6/c1-19(9-14-26(33)29(3,4)35)23-12-13-24-21(8-6-15-30(23,24)5)10-11-22-18-25(32)28(27(34)20(22)2)36-17-7-16-31/h10-11,19,23-28,31-35H,2,6-9,12-18H2,1,3-5H3/b21-10+,22-11-/t19-,23-,24+,25-,26+,27-,28-,30-/m1/s1
SMILES: CC[C@@]12CN3CCC4=C([C@@](C[C@H](C3)[C@@H]1O2)(C5=C(C=C6C(=C5)[C@@]78CCN9[C@@H]7[C@](C=CC9)([C@H]([C@@]([C@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)NC1=CC=CC=C41
InChI: InChI=1S/C46H56N4O9/c1-8-42-16-12-18-50-20-17-44(37(42)50)30-21-31(34(55-5)22-33(30)48(4)38(44)46(54,41(53)57-7)39(42)58-26(3)51)45(40(52)56-6)23-27-24-49(25-43(9-2)36(27)59-43)19-15-29-28-13-10-11-14-32(28)47-35(29)45/h10-14,16,21-22,27,36-39,47,54H,8-9,15,17-20,23-25H2,1-7H3/t27-,36+,37-,38+,39-,42+,43-,44+,45-,46+/m1/s1
SMILES: C1C[C@@H]2CC(=O)N[C@@H]2[C@@H](C1)C3=CC4=C(C=C3)OCO4
InChI: InChI=1S/C15H17NO3/c17-14-7-10-2-1-3-11(15(10)16-14)9-4-5-12-13(6-9)19-8-18-12/h4-6,10-11,15H,1-3,7-8H2,(H,16,17)/t10-,11+,15+/m1/s1
SMILES: C1[C@H]([C@@H](N1CC2=CC=CC=C2)C(=N)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C23H22N2/c24-22(20-14-8-3-9-15-20)23-21(19-12-6-2-7-13-19)17-25(23)16-18-10-4-1-5-11-18/h1-15,21,23-24H,16-17H2/t21-,23+/m0/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)NC45CC6CC(C4)CC(C6)C5)CN7CCOCC7
InChI: InChI=1S/C34H45N3O5/c1-22-30(20-37-9-11-40-12-10-37)41-32(42-31(22)27-7-5-23(21-38)6-8-27)28-3-2-4-29(16-28)35-33(39)36-34-17-24-13-25(18-34)15-26(14-24)19-34/h2-8,16,22,24-26,30-32,38H,9-15,17-21H2,1H3,(H2,35,36,39)/t22-,24?,25?,26?,30+,31+,32+,34?/m1/s1
SMILES: CC1=C[C@@H]2[C@H]([C@@H](C1=O)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)OC(O2)(C)C
InChI: InChI=1S/C26H32O4Si/c1-18-17-21-23(29-26(5,6)28-21)24(22(18)27)30-31(25(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-17,21,23-24H,1-6H3/t21-,23-,24-/m1/s1
SMILES: C[C@H]1[C@@H](C(=O)NC1=O)C(=O)[C@@H](C(C)C)NC(=O)C[C@H](C2=CC=CC=C2)NC(=O)/C=C/C3=CC=CC=C3
InChI: InChI=1S/C28H31N3O5/c1-17(2)25(26(34)24-18(3)27(35)31-28(24)36)30-23(33)16-21(20-12-8-5-9-13-20)29-22(32)15-14-19-10-6-4-7-11-19/h4-15,17-18,21,24-25H,16H2,1-3H3,(H,29,32)(H,30,33)(H,31,35,36)/b15-14+/t18-,21+,24+,25+/m0/s1
SMILES: CC1(O[C@H]2[C@H](O1)[C@@H](O[C@@H]3[C@@H]2OC(O3)(C)C)C(=O)NC4=CC=C(C=C4)F)C
InChI: InChI=1S/C18H22FNO6/c1-17(2)23-11-12(24-17)14-16(26-18(3,4)25-14)22-13(11)15(21)20-10-7-5-9(19)6-8-10/h5-8,11-14,16H,1-4H3,(H,20,21)/t11-,12-,13+,14+,16-/m0/s1
SMILES: C1CCC(C1)[C@@H](/C=C/[C@H]2[C@@H](C[C@H]3[C@@H]2[C@H](/C(=C/CCCC(=O)O)/O3)F)O)O
InChI: InChI=1S/C20H29FO5/c21-20-16(7-3-4-8-18(24)25)26-17-11-15(23)13(19(17)20)9-10-14(22)12-5-1-2-6-12/h7,9-10,12-15,17,19-20,22-23H,1-6,8,11H2,(H,24,25)/b10-9+,16-7-/t13-,14+,15+,17-,19+,20-/m0/s1
SMILES: C[C@@H]1C[C@@H]([C@H]2C3=C(C=CN=C3OC(=O)[C@](C)(C4=CC=CC5=CC=CC=C54)OC)O[C@@H]([C@]2(C1)C)C)C
InChI: InChI=1S/C30H35NO4/c1-18-16-19(2)26-25-24(34-20(3)29(26,4)17-18)14-15-31-27(25)35-28(32)30(5,33-6)23-13-9-11-21-10-7-8-12-22(21)23/h7-15,18-20,26H,16-17H2,1-6H3/t18-,19+,20-,26+,29-,30+/m1/s1
SMILES: CN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C5=C(C=CC(=C5)OC(F)(F)F)O)C6=CC=C(C=C6)OC)NC7=C(C=C(C=C7)Cl)Cl
InChI: InChI=1S/C35H28Cl2F3N3O7/c1-42-30(45)21-10-9-20-22(28(21)32(42)47)15-24-31(46)43(41-26-11-5-17(36)13-25(26)37)33(48)34(24,16-3-6-18(49-2)7-4-16)29(20)23-14-19(8-12-27(23)44)50-35(38,39)40/h3-9,11-14,21-22,24,28-29,41,44H,10,15H2,1-2H3/t21-,22+,24-,28-,29+,34+/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O1)[C@H](O[C@@H]2[C@H](CO[Si](C)(C)C(C)(C)C)OC(=O)C(F)(F)F)OC(=O)C3=CC=CC=C3)C
InChI: InChI=1S/C24H33F3O8Si/c1-22(2,3)36(6,7)30-13-15(31-21(29)24(25,26)27)16-17-18(35-23(4,5)34-17)20(32-16)33-19(28)14-11-9-8-10-12-14/h8-12,15-18,20H,13H2,1-7H3/t15-,16+,17-,18-,20+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@@H](O[C@@H]1OCC2=C(C=C(C=C2)Cl)Cl)COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C21H25Cl2NO9/c1-10(25)24-18-20(32-13(4)28)19(31-12(3)27)17(9-29-11(2)26)33-21(18)30-8-14-5-6-15(22)7-16(14)23/h5-7,17-21H,8-9H2,1-4H3,(H,24,25)/t17-,18+,19+,20+,21-/m0/s1
SMILES: COC1=C(C=C(C=C1)/C=C/2\CCC[C@H]3C2=NN([C@@H]3C4=CC(=C(C=C4)OC)OC)C(=O)C5=CC=CO5)OC
InChI: InChI=1S/C29H30N2O6/c1-33-22-12-10-18(16-25(22)35-3)15-19-7-5-8-21-27(19)30-31(29(32)24-9-6-14-37-24)28(21)20-11-13-23(34-2)26(17-20)36-4/h6,9-17,21,28H,5,7-8H2,1-4H3/b19-15+/t21-,28+/m0/s1
SMILES: CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O)N(C)C)O)CC=O)C)\C)CN3C=CN=C3
InChI: InChI=1S/C34H53N3O9/c1-8-28-25(18-37-13-12-35-19-37)15-20(2)9-10-26(39)21(3)16-24(11-14-38)33(22(4)27(40)17-29(41)45-28)46-34-32(43)30(36(6)7)31(42)23(5)44-34/h9-10,12-15,19,21-25,27-28,30-34,40,42-43H,8,11,16-18H2,1-7H3/b10-9+,20-15+/t21-,22+,23-,24+,25-,27-,28-,30+,31-,32-,33-,34+/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)NC(=O)CCl)OC(=O)C)OC(=O)C
InChI: InChI=1S/C16H22ClNO10/c1-7(19)24-6-11-14(25-8(2)20)15(26-9(3)21)13(18-12(23)5-17)16(28-11)27-10(4)22/h11,13-16H,5-6H2,1-4H3,(H,18,23)/t11-,13-,14-,15-,16-/m1/s1
SMILES: CCC1=CC=C(C=C1)[C@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC=C4I)C5(O2)C(=O)C6=CC=CC=C6C5=O
InChI: InChI=1S/C28H20INO5/c1-2-15-11-13-16(14-12-15)23-21-22(27(34)30(26(21)33)20-10-6-5-9-19(20)29)28(35-23)24(31)17-7-3-4-8-18(17)25(28)32/h3-14,21-23H,2H2,1H3/t21-,22-,23-/m0/s1
SMILES: C[C@]1([C@H]([C@H]2[C@@H](COC(O2)(C)C)O[C@@H]1OC)OS(=O)(=O)C)C=C
InChI: InChI=1S/C14H24O7S/c1-7-14(4)11(21-22(6,15)16)10-9(19-12(14)17-5)8-18-13(2,3)20-10/h7,9-12H,1,8H2,2-6H3/t9-,10-,11+,12+,14-/m1/s1
SMILES: CCOC(=O)[C@H]1C[C@]23CN(CC[C@H]2CCC([C@@H]3N1C)(OC)OC)C(=O)OC(C)(C)C
InChI: InChI=1S/C22H38N2O6/c1-8-29-17(25)16-13-21-14-24(19(26)30-20(2,3)4)12-10-15(21)9-11-22(27-6,28-7)18(21)23(16)5/h15-16,18H,8-14H2,1-7H3/t15-,16-,18-,21+/m1/s1
SMILES: CC1=CC=C(C=C1)[C@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC(=C4C)C)C5(O2)C(=O)C6=CC=CC=C6C5=O
InChI: InChI=1S/C29H23NO5/c1-15-11-13-18(14-12-15)24-22-23(28(34)30(27(22)33)21-10-6-7-16(2)17(21)3)29(35-24)25(31)19-8-4-5-9-20(19)26(29)32/h4-14,22-24H,1-3H3/t22-,23-,24-/m0/s1
SMILES: CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H](C[C@H](O2)N=[N+]=[N-])OC(=O)C3=CC=C(C=C3)C
InChI: InChI=1S/C21H21N3O5/c1-13-3-7-15(8-4-13)20(25)27-12-18-17(11-19(28-18)23-24-22)29-21(26)16-9-5-14(2)6-10-16/h3-10,17-19H,11-12H2,1-2H3/t17-,18+,19-/m0/s1
SMILES: C[C@@H]([C@H](C(=O)NCCO)NC(=O)C1=C[C@@H]2[C@H]([C@@H](C1)OC(=O)C3=CC=C(C=C3)C=CC(=O)OCC(F)(F)F)OCO2)O
InChI: InChI=1S/C26H29F3N2O10/c1-14(33)21(24(36)30-8-9-32)31-23(35)17-10-18-22(40-13-39-18)19(11-17)41-25(37)16-5-2-15(3-6-16)4-7-20(34)38-12-26(27,28)29/h2-7,10,14,18-19,21-22,32-33H,8-9,11-13H2,1H3,(H,30,36)(H,31,35)/t14-,18+,19+,21+,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)C4=CC=CC=C4)CN(C)C[C@H](C5=CC(=CC=C5)O)O
InChI: InChI=1S/C36H40N2O6/c1-24-33(22-38(2)21-32(41)30-9-6-10-31(40)19-30)43-36(44-34(24)27-15-13-26(23-39)14-16-27)29-17-11-25(12-18-29)20-37-35(42)28-7-4-3-5-8-28/h3-19,24,32-34,36,39-41H,20-23H2,1-2H3,(H,37,42)/t24-,32+,33+,34+,36+/m0/s1
SMILES: CCOC(=O)NC1=CC=CC=C1N[C@H]2[C@@H](C(OC3=C2C=C(C=C3)C#N)(C)C)O
InChI: InChI=1S/C21H23N3O4/c1-4-27-20(26)24-16-8-6-5-7-15(16)23-18-14-11-13(12-22)9-10-17(14)28-21(2,3)19(18)25/h5-11,18-19,23,25H,4H2,1-3H3,(H,24,26)/t18-,19+/m1/s1
SMILES: CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)C[NH+]2CC[C@@H]3CCCC[C@@H]3C2
InChI: InChI=1S/C18H25ClN2O3S/c1-25(23,24)15-6-7-16(19)17(10-15)20-18(22)12-21-9-8-13-4-2-3-5-14(13)11-21/h6-7,10,13-14H,2-5,8-9,11-12H2,1H3,(H,20,22)/p+1/t13-,14+/m0/s1
SMILES: C1=CC=C(C=C1)N2[C@@H]([C@H]3[C@@H](O2)C(=O)N(C3=O)C4=CC=C(C=C4)Cl)C5=CC=NC=C5
InChI: InChI=1S/C22H16ClN3O3/c23-15-6-8-16(9-7-15)25-21(27)18-19(14-10-12-24-13-11-14)26(29-20(18)22(25)28)17-4-2-1-3-5-17/h1-13,18-20H/t18-,19+,20+/m0/s1
SMILES: CC(C)N1C=C2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)NCCC4=CN=CN4)C5=C2C1=CC=C5
InChI: InChI=1S/C24H31N5O/c1-15(2)29-13-16-10-22-20(19-5-4-6-21(29)23(16)19)9-17(12-28(22)3)24(30)26-8-7-18-11-25-14-27-18/h4-6,11,13-15,17,20,22H,7-10,12H2,1-3H3,(H,25,27)(H,26,30)/t17-,20-,22-/m1/s1
SMILES: C[C@@]12CC[C@]3(CC[C@H]([C@@H]3[C@H]1CC[C@H]4[C@]2(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)CC6(CCCC6)CC(=O)O)C)C)C(=C)COC(=O)CC7(CCCC7)CC(=O)O)COC(=O)CC8(CCCC8)CC(=O)O
InChI: InChI=1S/C57H86O12/c1-37(35-67-46(64)32-54(29-43(58)59)18-7-8-19-54)38-15-26-57(36-68-47(65)33-55(30-44(60)61)20-9-10-21-55)28-27-52(5)39(49(38)57)13-14-41-51(4)24-17-42(50(2,3)40(51)16-25-53(41,52)6)69-48(66)34-56(31-45(62)63)22-11-12-23-56/h38-42,49H,1,7-36H2,2-6H3,(H,58,59)(H,60,61)(H,62,63)/t38-,39+,40-,41+,42-,49+,51-,52+,53+,57+/m0/s1
SMILES: CC1=C(C=C(C=C1)C(=O)N[C@H]2C[C@@H]3CC[C@H]2C3)[N+](=O)[O-]
InChI: InChI=1S/C15H18N2O3/c1-9-2-4-12(8-14(9)17(19)20)15(18)16-13-7-10-3-5-11(13)6-10/h2,4,8,10-11,13H,3,5-7H2,1H3,(H,16,18)/t10-,11+,13+/m1/s1
SMILES: CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C(=S)N)N3C=CC=CC3=O)O)C
InChI: InChI=1S/C17H18N2O3S/c1-17(2)15(21)14(19-8-4-3-5-13(19)20)11-9-10(16(18)23)6-7-12(11)22-17/h3-9,14-15,21H,1-2H3,(H2,18,23)/t14-,15+/m1/s1
SMILES: CCCCCCCCC[C@@H](C[C@@H]1CC[C@@H]2N1O[C@H]([C@@H]2C(=O)OC)C)O
InChI: InChI=1S/C20H37NO4/c1-4-5-6-7-8-9-10-11-17(22)14-16-12-13-18-19(20(23)24-3)15(2)25-21(16)18/h15-19,22H,4-14H2,1-3H3/t15-,16-,17-,18-,19-/m0/s1
SMILES: CC(=O)O[C@H]1[C@H]2[C@@H](COC(O2)(C)C)O[C@H]([C@H]1I)NS(=O)(=O)CC[Si](C)(C)C
InChI: InChI=1S/C16H30INO7SSi/c1-10(19)23-14-12(17)15(18-26(20,21)7-8-27(4,5)6)24-11-9-22-16(2,3)25-13(11)14/h11-15,18H,7-9H2,1-6H3/t11-,12+,13-,14-,15-/m1/s1
SMILES: C[C@@H]1[C@H]([C@H]([C@@H](O1)C2=NC(=CS2)C(=O)N)O)O
InChI: InChI=1S/C9H12N2O4S/c1-3-5(12)6(13)7(15-3)9-11-4(2-16-9)8(10)14/h2-3,5-7,12-13H,1H3,(H2,10,14)/t3-,5-,6-,7-/m1/s1
SMILES: CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CN2CCC[C@@H]3[C@@H]2CCCC3
InChI: InChI=1S/C19H27N3O3/c1-13-10-16(18(22(24)25)11-14(13)2)20-19(23)12-21-9-5-7-15-6-3-4-8-17(15)21/h10-11,15,17H,3-9,12H2,1-2H3,(H,20,23)/t15-,17+/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)CCCC(=O)O)C5=C(C=C(C=C5)OCC6=CC=CC=C6)O
InChI: InChI=1S/C34H31NO8/c1-18-14-26(36)25-16-24-21(11-12-23-30(24)34(42)35(33(23)41)13-5-8-28(38)39)29(31(25)32(18)40)22-10-9-20(15-27(22)37)43-17-19-6-3-2-4-7-19/h2-4,6-7,9-11,14-15,23-24,29-30,37H,5,8,12-13,16-17H2,1H3,(H,38,39)/t23-,24+,29+,30-/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@]3(CC(=O)C4)C
InChI: InChI=1S/C18H28O2/c1-17-8-7-15-13(14(17)5-6-16(17)20)4-3-11-9-12(19)10-18(11,15)2/h11,13-16,20H,3-10H2,1-2H3/t11-,13-,14-,15+,16-,17-,18-/m0/s1
SMILES: CC1=CC(=CC=C1)NC(=O)COC(=O)CN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O
InChI: InChI=1S/C20H22N2O5/c1-11-3-2-4-14(7-11)21-15(23)10-27-16(24)9-22-19(25)17-12-5-6-13(8-12)18(17)20(22)26/h2-4,7,12-13,17-18H,5-6,8-10H2,1H3,(H,21,23)/t12-,13+,17-,18-/m0/s1
SMILES: CC1=NC2=C(C=CC(=C2C=C1)C3=NN=C(N3C)SCCCN4C[C@@H]5C[C@@]5(C4)C6=CC=C(C=C6)C(F)(F)F)F
InChI: InChI=1S/C28H27F4N5S/c1-17-4-9-21-22(10-11-23(29)24(21)33-17)25-34-35-26(36(25)2)38-13-3-12-37-15-20-14-27(20,16-37)18-5-7-19(8-6-18)28(30,31)32/h4-11,20H,3,12-16H2,1-2H3/t20-,27+/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=CC=C(C=C4)OCCO)C5=CC=CC=C5)C6=CC(=CC=C6)Cl)[C@@H]7[C@H]1C(=O)N(C7=O)CCC(=O)O
InChI: InChI=1S/C37H33ClN2O8/c38-23-7-4-8-24(19-23)40-34(45)29-20-28-26(13-14-27-31(28)35(46)39(33(27)44)16-15-30(42)43)32(21-9-11-25(12-10-21)48-18-17-41)37(29,36(40)47)22-5-2-1-3-6-22/h1-13,19,27-29,31-32,41H,14-18,20H2,(H,42,43)/t27-,28+,29-,31-,32-,37+/m0/s1
SMILES: CC(=O)C1=C(C=C(C(=C1OC(=O)C)[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8
InChI: InChI=1S/C58H56O10/c1-41(59)52-49(62-35-44-23-11-4-12-24-44)33-50(63-36-45-25-13-5-14-26-45)53(55(52)67-42(2)60)56-58(66-39-48-31-19-8-20-32-48)57(65-38-47-29-17-7-18-30-47)54(64-37-46-27-15-6-16-28-46)51(68-56)40-61-34-43-21-9-3-10-22-43/h3-33,51,54,56-58H,34-40H2,1-2H3/t51-,54-,56+,57+,58+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@@]34C
InChI: InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15+,16+,17+,18-,19+/m1/s1
SMILES: C[C@H]([C@@H]1[C@H](N(C1=O)CC(=O)OCC=C)SC(=S)OC2=CC3=CC=CC=C3C=C2)O
InChI: InChI=1S/C21H21NO5S2/c1-3-10-26-17(24)12-22-19(25)18(13(2)23)20(22)29-21(28)27-16-9-8-14-6-4-5-7-15(14)11-16/h3-9,11,13,18,20,23H,1,10,12H2,2H3/t13-,18+,20-/m1/s1
SMILES: C1[C@@H]([C@H](O[C@@H]1N2C=C(C(=O)NC2=O)[N+](=O)[O-])CO)OCCNC=O
InChI: InChI=1S/C12H16N4O8/c17-5-9-8(23-2-1-13-6-18)3-10(24-9)15-4-7(16(21)22)11(19)14-12(15)20/h4,6,8-10,17H,1-3,5H2,(H,13,18)(H,14,19,20)/t8-,9+,10-/m0/s1
SMILES: CCOC1=CC=CC(=C1O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC(=C(C=C6)F)Cl)C)C(=O)N(C4=O)C7=CC(=CC=C7)[N+](=O)[O-]
InChI: InChI=1S/C35H29ClFN3O8/c1-3-48-27-9-5-8-22(30(27)41)29-20-11-12-21-28(33(44)38(31(21)42)17-6-4-7-19(14-17)40(46)47)23(20)16-24-32(43)39(34(45)35(24,29)2)18-10-13-26(37)25(36)15-18/h4-11,13-15,21,23-24,28-29,41H,3,12,16H2,1-2H3/t21-,23+,24-,28-,29+,35+/m0/s1
SMILES: C1CC[C@@]2([C@H](C1)[C@]3(/C(=N\O)/CCCC3=[N+]2[O-])O)N4CCOCC4
InChI: InChI=1S/C16H25N3O4/c20-16-12-4-1-2-7-15(12,18-8-10-23-11-9-18)19(22)14(16)6-3-5-13(16)17-21/h12,20-21H,1-11H2/b17-13-/t12-,15+,16+/m0/s1
SMILES: CC(C)[C@@H]1[C@@H]2[C@H](C(=O)N(C2=O)CC3=CC=CC=C3OC)[C@]4(N1)C5=CC=CC=C5NC4=O
InChI: InChI=1S/C24H25N3O4/c1-13(2)20-18-19(24(26-20)15-9-5-6-10-16(15)25-23(24)30)22(29)27(21(18)28)12-14-8-4-7-11-17(14)31-3/h4-11,13,18-20,26H,12H2,1-3H3,(H,25,30)/t18-,19+,20+,24+/m0/s1
SMILES: C[C@H]1[C@H]2[C@@H](CC1=O)[C@](CC[C@@H]3[C@@H]2OC(=O)C3=C)(C)O
InChI: InChI=1S/C15H20O4/c1-7-9-4-5-15(3,18)10-6-11(16)8(2)12(10)13(9)19-14(7)17/h8-10,12-13,18H,1,4-6H2,2-3H3/t8-,9+,10-,12+,13+,15-/m1/s1
SMILES: COC1=CN(C(=O)NC1=O)C2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI: InChI=1S/C10H14N2O7/c1-18-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)19-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)/t5-,6-,7-,9?/m1/s1
SMILES: C1[C@H]([C@]2([C@@]([C@H]1O)(C3=C(O2)C=C(C=C3Cl)Cl)O)C4=CC=C(C=C4)Cl)C5=CC=CC=C5
InChI: InChI=1S/C23H17Cl3O3/c24-15-8-6-14(7-9-15)23-17(13-4-2-1-3-5-13)12-20(27)22(23,28)21-18(26)10-16(25)11-19(21)29-23/h1-11,17,20,27-28H,12H2/t17-,20-,22+,23-/m0/s1
SMILES: CCOC(=O)N1CC=C2[C@H](C1)[C@H](C(=C(C2(C#N)C#N)N)C#N)C3=CC(=CC=C3)F
InChI: InChI=1S/C21H18FN5O2/c1-2-29-20(28)27-7-6-17-16(10-27)18(13-4-3-5-14(22)8-13)15(9-23)19(26)21(17,11-24)12-25/h3-6,8,16,18H,2,7,10,26H2,1H3/t16-,18-/m0/s1
SMILES: C1CC[C@@H]2CN(CC[C@@H]2C1)C(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC=C(C=C5)F
InChI: InChI=1S/C24H23FN2O3/c25-18-6-8-19(9-7-18)27-23(29)20-10-5-16(13-21(20)24(27)30)22(28)26-12-11-15-3-1-2-4-17(15)14-26/h5-10,13,15,17H,1-4,11-12,14H2/t15-,17+/m0/s1
SMILES: CCO[C@H](C)C1=C(C(=CC=C1)[C@@H](C)OCC)[Se][C@@H]2CCCO[C@H]2C3=CC=CC=C3
InChI: InChI=1S/C25H34O3Se/c1-5-26-18(3)21-14-10-15-22(19(4)27-6-2)25(21)29-23-16-11-17-28-24(23)20-12-8-7-9-13-20/h7-10,12-15,18-19,23-24H,5-6,11,16-17H2,1-4H3/t18-,19-,23-,24+/m1/s1
SMILES: CCN(CC)CCOC1=CC2=C(C=C1)[C@H]3CCC[C@H]([C@@H]3CC2)C4=CC=CC=C4.Cl
InChI: InChI=1S/C26H35NO.ClH/c1-3-27(4-2)17-18-28-22-14-16-24-21(19-22)13-15-26-23(11-8-12-25(24)26)20-9-6-5-7-10-20;/h5-7,9-10,14,16,19,23,25-26H,3-4,8,11-13,15,17-18H2,1-2H3;1H/t23-,25+,26-;/m0./s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](C)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\Br)C
InChI: InChI=1S/C21H29BrO3S/c1-15-6-8-18(9-7-15)26(23,24)25-14-16(2)19-10-11-20-17(13-22)5-4-12-21(19,20)3/h6-9,13,16,19-20H,4-5,10-12,14H2,1-3H3/b17-13+/t16-,19-,20+,21-/m1/s1
SMILES: COC1=CC(=C(C=C1)OC)N2[C@H]3CS(=O)(=O)C[C@H]3N(C2=O)C4=CC=CC=C4
InChI: InChI=1S/C19H20N2O5S/c1-25-14-8-9-18(26-2)15(10-14)21-17-12-27(23,24)11-16(17)20(19(21)22)13-6-4-3-5-7-13/h3-10,16-17H,11-12H2,1-2H3/t16-,17+/m1/s1
SMILES: C1C[NH+]2C[C@@H]([C@@H]1C[C@@H]2CN3C=C(N=N3)C4=CC(=CC=C4)O)C(=O)NCC5=CC6=C(C=C5)OCO6
InChI: InChI=1S/C25H27N5O4/c31-20-3-1-2-18(10-20)22-14-30(28-27-22)12-19-9-17-6-7-29(19)13-21(17)25(32)26-11-16-4-5-23-24(8-16)34-15-33-23/h1-5,8,10,14,17,19,21,31H,6-7,9,11-13,15H2,(H,26,32)/p+1/t17-,19+,21-/m0/s1
SMILES: CC1=C(C=C(N1CCC2CC2)C3=C(C=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)N[C@@H]4CCCC[C@H]4O
InChI: InChI=1S/C25H28F6N2O2/c1-14-17(23(35)32-20-4-2-3-5-22(20)34)13-21(33(14)11-10-15-6-7-15)18-12-16(24(26,27)28)8-9-19(18)25(29,30)31/h8-9,12-13,15,20,22,34H,2-7,10-11H2,1H3,(H,32,35)/t20-,22-/m1/s1
SMILES: C1CCN2CCC[C@H]([C@H]2C1)COC(=O)COC3=C(C=C(C=C3)Cl)Cl
InChI: InChI=1S/C18H23Cl2NO3/c19-14-6-7-17(15(20)10-14)23-12-18(22)24-11-13-4-3-9-21-8-2-1-5-16(13)21/h6-7,10,13,16H,1-5,8-9,11-12H2/t13-,16+/m0/s1
SMILES: CC(CCC(=O)OC)C1CCC2[C@@]1([C@H](CC3C2[C@@H](CC4[C@@]3(CC[C@H](C4)OC(=O)C(=C)C)C)O)O)C
InChI: InChI=1S/C29H46O6/c1-16(2)27(33)35-19-11-12-28(4)18(13-19)14-23(30)26-21-9-8-20(17(3)7-10-25(32)34-6)29(21,5)24(31)15-22(26)28/h17-24,26,30-31H,1,7-15H2,2-6H3/t17?,18?,19-,20?,21?,22?,23-,24+,26?,28+,29-/m1/s1
SMILES: CCCCC/C=C\C/C=C\CCCCCCCC(=O)NC1=NC(=O)N(C=C1)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O
InChI: InChI=1S/C27H43N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(32)28-22-18-19-30(27(35)29-22)26-25(34)24(33)21(20-31)36-26/h6-7,9-10,18-19,21,24-26,31,33-34H,2-5,8,11-17,20H2,1H3,(H,28,29,32,35)/b7-6-,10-9-/t21-,24-,25+,26-/m1/s1
SMILES: C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=NC(=NC(=C3N=N2)N)N)O)O)OP(=O)(O)O
InChI: InChI=1S/C9H14N7O7P/c10-6-3-7(13-9(11)12-6)16(15-14-3)8-5(18)4(17)2(23-8)1-22-24(19,20)21/h2,4-5,8,17-18H,1H2,(H2,19,20,21)(H4,10,11,12,13)/t2-,4-,5-,8-/m1/s1
SMILES: C1=C(OC(=C1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO
InChI: InChI=1S/C12H18O8/c13-3-6-1-2-7(19-6)5-18-12-11(17)10(16)9(15)8(4-14)20-12/h1-2,8-17H,3-5H2/t8-,9-,10+,11-,12-/m1/s1
SMILES: CC1(OC[C@@H]2[C@@H](O1)[C@H]3[C@@H]([C@H](O2)OCCOCC(COCCO[C@@H]4[C@@H]5[C@H]([C@H]6[C@H](O4)COC(O6)(C)C)OC(O5)(C)C)OCCOCC(=C)CCl)OC(O3)(C)C)C
InChI: InChI=1S/C37H61ClO16/c1-22(16-38)17-39-10-13-42-23(18-40-11-14-43-32-30-28(51-36(6,7)53-30)26-24(47-32)20-45-34(2,3)49-26)19-41-12-15-44-33-31-29(52-37(8,9)54-31)27-25(48-33)21-46-35(4,5)50-27/h23-33H,1,10-21H2,2-9H3/t24-,25-,26-,27-,28+,29+,30+,31+,32+,33+/m1/s1
SMILES: COC1=C(C=CC(=C1)O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=CC=C(C=C6)F)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)CCC(=O)O
InChI: InChI=1S/C36H31ClFN3O8/c1-49-28-16-22(42)10-11-24(28)31-23-12-13-25-30(34(47)40(32(25)45)15-14-29(43)44)26(23)17-27-33(46)41(39-21-8-6-20(38)7-9-21)35(48)36(27,31)18-2-4-19(37)5-3-18/h2-12,16,25-27,30-31,39,42H,13-15,17H2,1H3,(H,43,44)/t25-,26+,27-,30-,31+,36+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)F
InChI: InChI=1S/C21H22FN3O2S/c1-13-4-2-3-5-17(13)24-18(26)10-25-12-23-20-19(21(25)27)16(11-28-20)14-6-8-15(22)9-7-14/h6-9,11-13,17H,2-5,10H2,1H3,(H,24,26)/t13-,17+/m0/s1