EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(=O)[O-].CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)[O-])C=N[C@@H]2CCCC[C@H]2N=CC3=C(C(=CC(=C3)C(C)(C)C)C(C)(C)C)[O-].[Co+3]
InChI: InChI=1S/C36H54N2O2.C2H4O2.Co/c1-33(2,3)25-17-23(31(39)27(19-25)35(7,8)9)21-37-29-15-13-14-16-30(29)38-22-24-18-26(34(4,5)6)20-28(32(24)40)36(10,11)12;1-2(3)4;/h17-22,29-30,39-40H,13-16H2,1-12H3;1H3,(H,3,4);/q;;+3/p-3/t29-,30-;;/m1../s1
SMILES: CC(=C)[C@@H]1[C@H](N(C(=O)O1)C(=O)C2=CC=CC=C2)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C20H29NO4Si/c1-14(2)17-16(13-24-26(6,7)20(3,4)5)21(19(23)25-17)18(22)15-11-9-8-10-12-15/h8-12,16-17H,1,13H2,2-7H3/t16-,17-/m1/s1
SMILES: CC1([C@H]2C=CC3(C(=O)[C@H]2[C@]14C5=CC=CC=C5NC(=O)O4)SCCS3)C
InChI: InChI=1S/C19H19NO3S2/c1-17(2)12-7-8-18(24-9-10-25-18)15(21)14(12)19(17)11-5-3-4-6-13(11)20-16(22)23-19/h3-8,12,14H,9-10H2,1-2H3,(H,20,22)/t12-,14-,19+/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)C2=CC(=CN=C2)Br
InChI: InChI=1S/C16H21BrN2O3/c1-10-5-3-4-6-14(10)19-15(20)11(2)22-16(21)12-7-13(17)9-18-8-12/h7-11,14H,3-6H2,1-2H3,(H,19,20)/t10-,11+,14+/m0/s1
SMILES: C1[C@@H]([C@H](C(=O)C=C1C2=CC=CS2)N3C=C(N=C3)[N+](=O)[O-])C4=CC=CS4
InChI: InChI=1S/C17H13N3O3S2/c21-13-8-11(14-3-1-5-24-14)7-12(15-4-2-6-25-15)17(13)19-9-16(18-10-19)20(22)23/h1-6,8-10,12,17H,7H2/t12-,17-/m1/s1
SMILES: C[C@@H]1C[C@H]1C2=CC=C(O2)/C=N\NC(=O)CN3C(=O)COC4=CC=CC=C43
InChI: InChI=1S/C19H19N3O4/c1-12-8-14(12)16-7-6-13(26-16)9-20-21-18(23)10-22-15-4-2-3-5-17(15)25-11-19(22)24/h2-7,9,12,14H,8,10-11H2,1H3,(H,21,23)/b20-9-/t12-,14-/m1/s1
SMILES: C[C@@]12C[C@@H](C[C@H]([C@H]1CC[C@]34[C@H]2CC[C@H](C3)[C@@H](C4)/C=N/NC(=S)N)C(=O)OC)O
InChI: InChI=1S/C21H33N3O3S/c1-20-10-14(25)7-15(18(26)27-2)16(20)5-6-21-8-12(3-4-17(20)21)13(9-21)11-23-24-19(22)28/h11-17,25H,3-10H2,1-2H3,(H3,22,24,28)/b23-11+/t12-,13+,14-,15-,16-,17+,20-,21+/m1/s1
SMILES: CC1=C(C(=CC=C1)C)N(CC2=NN(N=N2)C)[C@@H]3[C@H]([C@@](OC4=C3C=C(C=C4)[N+](=O)[O-])(C)C(OC)OC)O
InChI: InChI=1S/C24H30N6O6/c1-14-8-7-9-15(2)20(14)29(13-19-25-27-28(4)26-19)21-17-12-16(30(32)33)10-11-18(17)36-24(3,22(21)31)23(34-5)35-6/h7-12,21-23,31H,13H2,1-6H3/t21-,22+,24-/m0/s1
SMILES: C[C@H]([C@H](C(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC(=N2)C(=O)N)O)O)N)O
InChI: InChI=1S/C12H19N5O7/c1-4(18)6(13)12(22)23-2-5-7(19)8(20)11(24-5)17-3-15-10(16-17)9(14)21/h3-8,11,18-20H,2,13H2,1H3,(H2,14,21)/t4-,5-,6-,7-,8-,11-/m1/s1
SMILES: C[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CCCCNC(=O)C([C@]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O)(F)F)N.Cl
InChI: InChI=1S/C20H34F2N4O11.ClH/c1-8(15(31)26-9(2)17(33)34)25-16(32)10(23)5-3-4-6-24-18(35)19(21,22)20(36)14(30)13(29)12(28)11(7-27)37-20;/h8-14,27-30,36H,3-7,23H2,1-2H3,(H,24,35)(H,25,32)(H,26,31)(H,33,34);1H/t8-,9-,10-,11+,12-,13-,14+,20+;/m0./s1
SMILES: CC1=CC[C@@H]([C@@H]/2[C@H]1C[C@@H]([C@@]3(C=C[C@@](O3)(/C(=C2)/C(=O)OC)OC)C)OC(=O)/C=C/C4=CC=CC=N4)C(C)C
InChI: InChI=1S/C30H37NO6/c1-19(2)22-12-10-20(3)23-18-26(36-27(32)13-11-21-9-7-8-16-31-21)29(4)14-15-30(35-6,37-29)25(17-24(22)23)28(33)34-5/h7-11,13-17,19,22-24,26H,12,18H2,1-6H3/b13-11+,25-17-/t22-,23+,24-,26+,29+,30-/m1/s1
SMILES: CC(C)C1=C(C=C2C(=C1OC)CC[C@@H]3[C@@]2(CCC4=C3COC4=O)C)O
InChI: InChI=1S/C21H26O4/c1-11(2)18-17(22)9-16-13(19(18)24-4)5-6-15-14-10-25-20(23)12(14)7-8-21(15,16)3/h9,11,15,22H,5-8,10H2,1-4H3/t15-,21-/m0/s1
SMILES: CC1=CC(=CC=C1)N2C(=O)[C@@H]3[C@@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)Br
InChI: InChI=1S/C25H18BrNO2/c1-14-7-6-8-15(13-14)27-23(28)21-20-16-9-2-4-11-18(16)25(26,22(21)24(27)29)19-12-5-3-10-17(19)20/h2-13,20-22H,1H3/t20?,21-,22-,25?/m0/s1
SMILES: CC[Si](CC)(CC)O[C@H](C)[C@H]1[C@H]2[C@H](C(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])CO)C
InChI: InChI=1S/C24H34N2O7Si/c1-6-34(7-2,8-3)33-16(5)20-21-15(4)19(13-27)22(25(21)23(20)28)24(29)32-14-17-9-11-18(12-10-17)26(30)31/h9-12,15-16,20-21,27H,6-8,13-14H2,1-5H3/t15-,16+,20-,21+/m0/s1
SMILES: CC1=C(C=CC(=C1)F)[C@H]2[C@@H]3CN(C[C@H]3CO[C@@H]2O[C@H](C)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C(=O)NC
InChI: InChI=1S/C26H27F7N2O3/c1-13-6-19(27)4-5-20(13)22-21-11-35(24(36)34-3)10-16(21)12-37-23(22)38-14(2)15-7-17(25(28,29)30)9-18(8-15)26(31,32)33/h4-9,14,16,21-23H,10-12H2,1-3H3,(H,34,36)/t14-,16+,21-,22+,23-/m1/s1
SMILES: COC1=CC=CC=C1[C@H]2[C@H]3CCCC[C@]3(CCN2CC(=O)NCC4=CC=CO4)O
InChI: InChI=1S/C23H30N2O4/c1-28-20-10-3-2-8-18(20)22-19-9-4-5-11-23(19,27)12-13-25(22)16-21(26)24-15-17-7-6-14-29-17/h2-3,6-8,10,14,19,22,27H,4-5,9,11-13,15-16H2,1H3,(H,24,26)/t19-,22+,23-/m1/s1
SMILES: CC1=CC2=C([C@@H]3[C@@H]4[C@H]5C6=C(C(=C7C(=C6[C@@H](N4[C@H]([C@H](C2)N3C)O)COC(=O)[C@@]8(CS5)C9=CC(=C(C=C9CCN8)O)OC)OCO7)C)OC(=O)C)C(=C1OC)O
InChI: InChI=1S/C39H43N3O11S/c1-16-9-20-10-22-37(46)42-23-13-50-38(47)39(21-12-25(48-5)24(44)11-19(21)7-8-40-39)14-54-36(30(42)29(41(22)4)26(20)31(45)32(16)49-6)28-27(23)35-34(51-15-52-35)17(2)33(28)53-18(3)43/h9,11-12,22-23,29-30,36-37,40,44-46H,7-8,10,13-15H2,1-6H3/t22-,23-,29+,30+,36+,37-,39+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C3=CC=CC=C3
InChI: InChI=1S/C21H26N2O3S/c1-16-8-6-7-11-20(16)22-21(24)17-12-14-19(15-13-17)27(25,26)23(2)18-9-4-3-5-10-18/h3-5,9-10,12-16,20H,6-8,11H2,1-2H3,(H,22,24)/t16-,20-/m1/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CCC3=CC=CS3)C[C@H](COCC4=CC=CC=C4)O)O)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)C6=CC=C(O6)C7=C(C=CC(=C7)C(F)(F)F)Cl)C
InChI: InChI=1S/C50H55ClF3NO6S/c1-33-8-6-22-48(2)43(20-23-49(48,59)32-55(24-21-39-11-7-25-62-39)29-38(57)31-60-30-34-9-4-3-5-10-34)40-16-13-35(26-37(56)15-12-33)27-41(40)47(58)46-19-18-45(61-46)42-28-36(50(52,53)54)14-17-44(42)51/h3-5,7-11,13-14,16-19,25,27-28,37-38,43,56-57,59H,6,12,15,20-24,26,29-32H2,1-2H3/t37-,38+,43-,48-,49+/m0/s1
SMILES: C#CC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=C[C@H]4[C@H]5C[C@@H]([C@H]4C3=O)C=C5
InChI: InChI=1S/C25H20O/c1-2-25(19-9-5-3-6-10-19,20-11-7-4-8-12-20)22-16-21-17-13-14-18(15-17)23(21)24(22)26/h1,3-14,16-18,21,23H,15H2/t17-,18+,21+,23-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2(C#C)O[Si](C)(C)C)CCC4=C/C(=N\O)/CC[C@H]34
InChI: InChI=1S/C23H35NO2Si/c1-6-23(26-27(3,4)5)14-12-21-20-9-7-16-15-17(24-25)8-10-18(16)19(20)11-13-22(21,23)2/h1,15,18-21,25H,7-14H2,2-5H3/b24-17-/t18-,19+,20+,21-,22-,23?/m0/s1
SMILES: CCOC(=O)C(C)(C)[C@@H]([C@H]([C@@H]1[C@H]2[C@@H]([C@@H]3[C@H](O1)OC(O3)(C)C)OC(O2)(C)C)O)O
InChI: InChI=1S/C19H32O9/c1-8-23-16(22)17(2,3)14(21)9(20)10-11-12(26-18(4,5)25-11)13-15(24-10)28-19(6,7)27-13/h9-15,20-21H,8H2,1-7H3/t9-,10+,11-,12-,13+,14+,15+/m0/s1
SMILES: CN1C[C@@H](C[C@@]2([C@H]1CC3=CN(C4=CC=CC2=C34)C)OC)COC(=O)C5=CC(=C[NH+]=C5)Br.[C@@H](C(C(=O)O)O)(C(=O)[O-])O
InChI: InChI=1S/C24H26BrN3O3.C4H6O6/c1-27-13-17-8-21-24(30-3,19-5-4-6-20(27)22(17)19)9-15(12-28(21)2)14-31-23(29)16-7-18(25)11-26-10-16;5-1(3(7)8)2(6)4(9)10/h4-7,10-11,13,15,21H,8-9,12,14H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t15-,21-,24-;1-,2?/m11/s1
SMILES: C1[C@H]([C@@H]1C(=O)N(C[C@H]2CNC[C@@H]2CC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C28H30N2O/c31-28(27-17-26(27)22-12-6-2-7-13-22)30(25-14-8-3-9-15-25)20-24-19-29-18-23(24)16-21-10-4-1-5-11-21/h1-15,23-24,26-27,29H,16-20H2/t23-,24+,26-,27+/m0/s1
SMILES: C[C@@H]1CC2C3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)OCC#N)OC(=O)C5=CC=C(O5)C(F)(F)F)C)O)F)C)F
InChI: InChI=1S/C29H28F5NO7/c1-14-10-16-17-12-19(30)18-11-15(36)6-7-25(18,2)27(17,31)21(37)13-26(16,3)28(14,24(39)40-9-8-35)42-23(38)20-4-5-22(41-20)29(32,33)34/h4-7,11,14,16-17,19,21,37H,9-10,12-13H2,1-3H3/t14-,16?,17?,19+,21+,25+,26+,27+,28+/m1/s1
SMILES: C[C@]12CC[C@@]3(C[C@@H]1CC[C@@H]4[C@@H]2CC[C@]5([C@H]4CCC5=O)C)CN(C(=O)O3)CC(CN6CCOCC6)OC(=O)C7=CC=C(C=C7)C(C)(C)C
InChI: InChI=1S/C39H56N2O6/c1-36(2,3)27-8-6-26(7-9-27)34(43)46-29(23-40-18-20-45-21-19-40)24-41-25-39(47-35(41)44)17-16-37(4)28(22-39)10-11-30-31-12-13-33(42)38(31,5)15-14-32(30)37/h6-9,28-32H,10-25H2,1-5H3/t28-,29?,30-,31-,32-,37-,38-,39+/m0/s1
SMILES: C[C@@]1(CCC=C2[C@H]1CC[C@H]3[C@]2(CCCC3(C)C)CO)C(=O)OC
InChI: InChI=1S/C20H32O3/c1-18(2)10-6-12-20(13-21)15-7-5-11-19(3,17(22)23-4)14(15)8-9-16(18)20/h7,14,16,21H,5-6,8-13H2,1-4H3/t14-,16-,19+,20-/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)C5=CC=C(C=C5)NC6=CC=CC=C6)C7=CC(=C(C=C7)O)F
InChI: InChI=1S/C35H27FN2O5/c1-18-15-29(40)26-17-25-23(30(32(26)33(18)41)19-7-14-28(39)27(36)16-19)12-13-24-31(25)35(43)38(34(24)42)22-10-8-21(9-11-22)37-20-5-3-2-4-6-20/h2-12,14-16,24-25,30-31,37,39H,13,17H2,1H3/t24-,25+,30-,31-/m0/s1
SMILES: CC1=CC(=CC(=C1)OC2=CC=C(C=C2)NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)C
InChI: InChI=1S/C22H23NO4/c1-14-11-15(2)13-18(12-14)27-17-9-7-16(8-10-17)23-21(24)19-5-3-4-6-20(19)22(25)26/h3-4,7-13,19-20H,5-6H2,1-2H3,(H,23,24)(H,25,26)/t19-,20-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H]([O+]2[C@@H]1O2)CO)O)O
InChI: InChI=1S/C8H13NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14-15/h4-8,10,12-13H,2H2,1H3/p+1/t4-,5-,6-,7-,8+/m1/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(=CC=C5)OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N
InChI: InChI=1S/C39H37N3O9/c1-48-21-22-50-38(47)41-29-18-9-8-17-28(29)39(37(41)46)30(35(40)44)32-36(45)51-33(25-13-6-3-7-14-25)31(24-11-4-2-5-12-24)42(32)34(39)26-15-10-16-27(23-26)49-20-19-43/h2-18,23,30-34,43H,19-22H2,1H3,(H2,40,44)/t30-,31-,32-,33+,34+,39-/m0/s1
SMILES: C/C=C(/[C@H]1[C@@H](N1S(=O)(=O)C2=C(C=C(C=C2C)C)C)C(C)C)\C3=CC=C(C=C3)C
InChI: InChI=1S/C24H31NO2S/c1-8-21(20-11-9-16(4)10-12-20)23-22(15(2)3)25(23)28(26,27)24-18(6)13-17(5)14-19(24)7/h8-15,22-23H,1-7H3/b21-8+/t22-,23-,25?/m0/s1
SMILES: C[C@]12CCC(=O)C3=C(CC[C@H]([C@@H]1CCC2=O)O)C=C(C=C3)OC
InChI: InChI=1S/C19H24O4/c1-19-10-9-16(20)14-5-4-13(23-2)11-12(14)3-7-17(21)15(19)6-8-18(19)22/h4-5,11,15,17,21H,3,6-10H2,1-2H3/t15-,17+,19-/m0/s1
SMILES: CC1=CC2=C([C@@H]3[C@@H]4CC5=C(C(=C6C(=C5[C@@H](N4[C@H]([C@H](C2)N3C)C#N)CO[Si](C7=CC=CC=C7)(C8=CC=CC=C8)C(C)(C)C)OCO6)C)OCC=C)C(=C1OC)O
InChI: InChI=1S/C45H51N3O6Si/c1-9-20-51-42-28(3)43-44(53-26-52-43)38-32(42)23-34-39-37-29(21-27(2)41(50-8)40(37)49)22-33(47(39)7)35(24-46)48(34)36(38)25-54-55(45(4,5)6,30-16-12-10-13-17-30)31-18-14-11-15-19-31/h9-19,21,33-36,39,49H,1,20,22-23,25-26H2,2-8H3/t33-,34-,35-,36-,39-/m0/s1
SMILES: CC(=CC(=O)OC[C@@]12[C@@H](O1)C/C=C(\C[C@H]3[C@H](C[C@H]2O)C(=C)C(=O)O3)/COC(=O)C)C
InChI: InChI=1S/C22H28O8/c1-12(2)7-20(25)28-11-22-18(24)9-16-13(3)21(26)29-17(16)8-15(10-27-14(4)23)5-6-19(22)30-22/h5,7,16-19,24H,3,6,8-11H2,1-2,4H3/b15-5+/t16-,17+,18-,19+,22-/m1/s1
SMILES: CN1[C@H]([C@H](CO1)S(=O)(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)OCC4=CC=C(C=C4)Cl)OC
InChI: InChI=1S/C24H24ClNO5S/c1-26-24(23(16-31-26)32(27,28)20-6-4-3-5-7-20)18-10-13-21(22(14-18)29-2)30-15-17-8-11-19(25)12-9-17/h3-14,23-24H,15-16H2,1-2H3/t23-,24-/m0/s1
SMILES: CC(C)C[C@H]1CC(=C[C@H]([C@@H]1NC(=O)C)OC(C)C)C(=O)O
InChI: InChI=1S/C16H27NO4/c1-9(2)6-12-7-13(16(19)20)8-14(21-10(3)4)15(12)17-11(5)18/h8-10,12,14-15H,6-7H2,1-5H3,(H,17,18)(H,19,20)/t12-,14+,15+/m0/s1
SMILES: C1C=CC(C=C1)CCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
InChI: InChI=1S/C21H34O11/c22-9-12-14(24)15(25)17(27)21(30-12)32-19-13(10-23)31-20(18(28)16(19)26)29-8-4-7-11-5-2-1-3-6-11/h2-3,5-6,11-28H,1,4,7-10H2/t12-,13-,14-,15+,16-,17-,18-,19-,20-,21-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OCOC)CC(C4=C3C=CC(=C4)OCOC)O
InChI: InChI=1S/C22H32O5/c1-22-9-8-16-15-5-4-14(26-12-24-2)10-18(15)20(23)11-17(16)19(22)6-7-21(22)27-13-25-3/h4-5,10,16-17,19-21,23H,6-9,11-13H2,1-3H3/t16-,17-,19+,20?,21+,22+/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](N(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])[C@@H]5CCNC(=O)C5)C(=O)OCC6=CC=C(C=C6)[N+](=O)[O-])[C@@H](C)O
InChI: InChI=1S/C34H37N5O11S/c1-18-29-28(19(2)40)32(42)37(29)30(33(43)49-16-20-3-7-23(8-4-20)38(45)46)31(18)51-25-14-26(22-11-12-35-27(41)13-22)36(15-25)34(44)50-17-21-5-9-24(10-6-21)39(47)48/h3-10,18-19,22,25-26,28-29,40H,11-17H2,1-2H3,(H,35,41)/t18-,19-,22-,25+,26+,28-,29-/m1/s1
SMILES: C1CN(CCN1[C@@H]2CC3=C([C@H]2OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C=C(C=C3)F)C5=C6C(=CC=C5)OCCO6
InChI: InChI=1S/C28H26FN3O6/c29-20-7-4-19-16-24(26(22(19)17-20)38-28(33)18-5-8-21(9-6-18)32(34)35)31-12-10-30(11-13-31)23-2-1-3-25-27(23)37-15-14-36-25/h1-9,17,24,26H,10-16H2/t24-,26-/m1/s1
SMILES: C[C@]12CCC3C([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CCC5[C@@]3(CC[C@H](C5)N(C6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)OC)C
InChI: InChI=1S/C30H47NO9/c1-28-9-6-18(31(38-3)27-26(36)25(35)24(34)22(14-32)40-27)13-17(28)4-5-21-20(28)7-10-29(2)19(8-11-30(21,29)37)16-12-23(33)39-15-16/h12,17-22,24-27,32,34-37H,4-11,13-15H2,1-3H3/t17?,18-,19-,20?,21?,22-,24-,25+,26+,27?,28+,29-,30+/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]
InChI: InChI=1S/C22H31N3O5/c1-16-8-4-5-9-18(16)23-21(26)15-30-22(27)17-10-11-19(20(14-17)25(28)29)24-12-6-2-3-7-13-24/h10-11,14,16,18H,2-9,12-13,15H2,1H3,(H,23,26)/t16-,18+/m0/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=CC(=C(C(=C7)OC)O)OC)C(=O)N(C5=O)C8=CC=C(C=C8)I
InChI: InChI=1S/C41H36IN3O7/c1-22-9-13-26(14-10-22)43-45-38(48)31-21-30-28(17-18-29-34(30)39(49)44(37(29)47)27-15-11-25(42)12-16-27)35(23-19-32(51-2)36(46)33(20-23)52-3)41(31,40(45)50)24-7-5-4-6-8-24/h4-17,19-20,29-31,34-35,43,46H,18,21H2,1-3H3/t29-,30+,31-,34-,35-,41+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C27H55N3O5Si3/c1-25(2,3)36(10,11)32-18-19-21(34-37(12,13)26(4,5)6)22(35-38(14,15)27(7,8)9)23(33-19)30-17-16-20(28)29-24(30)31/h16-17,19,21-23H,18H2,1-15H3,(H2,28,29,31)/t19-,21-,22-,23-/m1/s1
SMILES: CCON=C1C[C@@H]([C@@]2([C@@H]3C1=C[C@@H]([C@H]([C@@H]3C4=C(O2)C=CC(=C4)OC(=O)NC5=C(C=C(C=C5)OC)OC)CCCCO)CCCCO)OCC=C)N(CC6=CC=CC7=CC=CC=C76)C(=O)CCC8CCCC8
InChI: InChI=1S/C57H71N3O10/c1-5-32-67-57-52(60(53(63)29-24-38-16-7-8-17-38)37-41-21-15-20-39-18-9-10-22-44(39)41)36-49(59-68-6-2)46-33-40(19-11-13-30-61)45(23-12-14-31-62)54(55(46)57)47-34-43(26-28-50(47)70-57)69-56(64)58-48-27-25-42(65-3)35-51(48)66-4/h5,9-10,15,18,20-22,25-28,33-35,38,40,45,52,54-55,61-62H,1,6-8,11-14,16-17,19,23-24,29-32,36-37H2,2-4H3,(H,58,64)/t40-,45+,52-,54+,55+,57+/m0/s1
SMILES: CC1=CSC(=C1)C2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C21H22N4O7S/c1-10-5-15(33-7-10)16-17-20(23-8-22-16)25(9-24-17)21-19(31-13(4)28)18(30-12(3)27)14(32-21)6-29-11(2)26/h5,7-9,14,18-19,21H,6H2,1-4H3/t14-,18-,19-,21-/m1/s1
SMILES: C1C[C@@H]2CC[C@@H]3CC[C@H]([C@H]2C(=O)C1)N3CC4=CC=CC=C4
InChI: InChI=1S/C19H25NO/c21-18-8-4-7-15-9-10-16-11-12-17(19(15)18)20(16)13-14-5-2-1-3-6-14/h1-3,5-6,15-17,19H,4,7-13H2/t15-,16-,17-,19+/m1/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN3CCN(CC3)C4=CC=CC=N4)O)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)C6=CC7=CC=CC=C7S6)C
InChI: InChI=1S/C40H47N3O3S/c1-28-8-7-17-39(2)34(16-18-40(39,46)27-42-20-22-43(23-21-42)37-11-5-6-19-41-37)32-15-13-29(24-31(44)14-12-28)25-33(32)38(45)36-26-30-9-3-4-10-35(30)47-36/h3-6,8-11,13,15,19,25-26,31,34,44,46H,7,12,14,16-18,20-24,27H2,1-2H3/t31-,34-,39-,40+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)CN2CCC3=C([C@@H]2C4CC4)C=CS3
InChI: InChI=1S/C19H28N2OS/c1-13-4-2-3-5-16(13)20-18(22)12-21-10-8-17-15(9-11-23-17)19(21)14-6-7-14/h9,11,13-14,16,19H,2-8,10,12H2,1H3,(H,20,22)/t13-,16-,19+/m1/s1
SMILES: CC1=CC=CC=C1[C@@H]2[C@H](C(=O)NC(=C2C#N)SCC(=O)N)C(=O)OC
InChI: InChI=1S/C17H17N3O4S/c1-9-5-3-4-6-10(9)13-11(7-18)16(25-8-12(19)21)20-15(22)14(13)17(23)24-2/h3-6,13-14H,8H2,1-2H3,(H2,19,21)(H,20,22)/t13-,14+/m0/s1
SMILES: C[C@@H]1CCC[C@H]1OC(=O)C2=C(NC(=O)N[C@@H]2C3=CC(=C(C=C3)O)OC)C
InChI: InChI=1S/C19H24N2O5/c1-10-5-4-6-14(10)26-18(23)16-11(2)20-19(24)21-17(16)12-7-8-13(22)15(9-12)25-3/h7-10,14,17,22H,4-6H2,1-3H3,(H2,20,21,24)/t10-,14-,17-/m1/s1
SMILES: C[C@]12CC[C@]3(C1)[C@H](C[C@@H]2O)CC4(C[C@]3(C)CCCC5OCCO5)OCCO4
InChI: InChI=1S/C22H36O5/c1-19-6-7-21(14-19)16(12-17(19)23)13-22(26-10-11-27-22)15-20(21,2)5-3-4-18-24-8-9-25-18/h16-18,23H,3-15H2,1-2H3/t16-,17+,19+,20+,21+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[Si](C)(C)C(C)(C)C)OP3(=O)OCC=C[C@@H](O3)[C@@H]4[C@H](C[C@@H](O4)N5C=C(C(=O)NC5=O)C)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C35H57N4O12PSi2/c1-21-18-38(32(42)36-30(21)40)27-16-24(26(47-27)20-46-53(9,10)34(3,4)5)50-52(44)45-15-13-14-23(49-52)29-25(51-54(11,12)35(6,7)8)17-28(48-29)39-19-22(2)31(41)37-33(39)43/h13-14,18-19,23-29H,15-17,20H2,1-12H3,(H,36,40,42)(H,37,41,43)/t23-,24+,25+,26-,27-,28-,29-,52?/m1/s1
SMILES: CC1=CC=C(S1)C2=NC(=C3C(=N2)N(C=N3)C4[C@@H]([C@@H]([C@H](O4)CO)O)O)N
InChI: InChI=1S/C15H17N5O4S/c1-6-2-3-8(25-6)13-18-12(16)9-14(19-13)20(5-17-9)15-11(23)10(22)7(4-21)24-15/h2-3,5,7,10-11,15,21-23H,4H2,1H3,(H2,16,18,19)/t7-,10-,11-,15?/m1/s1
SMILES: CC1=C(C=C(C=C1)C(=O)COC(=O)CN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C
InChI: InChI=1S/C20H21NO5/c1-12-7-8-14(9-13(12)2)17(22)11-26-18(23)10-21-19(24)15-5-3-4-6-16(15)20(21)25/h3-4,7-9,15-16H,5-6,10-11H2,1-2H3/t15-,16+
SMILES: CC(=O)[C@]1([C@H](O1)CO[Si](C)(C)C(C)(C)C)S(=O)(=O)C2=CC=CC=C2
InChI: InChI=1S/C17H26O5SSi/c1-13(18)17(23(19,20)14-10-8-7-9-11-14)15(22-17)12-21-24(5,6)16(2,3)4/h7-11,15H,12H2,1-6H3/t15-,17-/m1/s1
SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)C[C@@H]6[C@H]([C@H]5C7=C(C=CC8=CC=CC=C87)O)C(=O)N(C6=O)C9=CC=C(C=C9)N=NC1=CC=C(C=C1)N(C)C
InChI: InChI=1S/C52H46N8O5/c1-57(2)35-18-10-31(11-19-35)53-55-33-14-22-37(23-15-33)59-49(62)41-27-26-40-42(45(41)51(59)64)29-43-48(47(40)46-39-8-6-5-7-30(39)9-28-44(46)61)52(65)60(50(43)63)38-24-16-34(17-25-38)56-54-32-12-20-36(21-13-32)58(3)4/h5-26,28,41-43,45,47-48,61H,27,29H2,1-4H3/t41-,42+,43+,45-,47+,48+/m0/s1
SMILES: C[C@@H]1[C@@H]2CC3=C([C@]1(CCN2CC4=CC=C(C=C4)N=C=S)C)C=C(C=C3)O
InChI: InChI=1S/C22H24N2OS/c1-15-21-11-17-5-8-19(25)12-20(17)22(15,2)9-10-24(21)13-16-3-6-18(7-4-16)23-14-26/h3-8,12,15,21,25H,9-11,13H2,1-2H3/t15-,21+,22+/m1/s1
SMILES: C[C@H]1[C@@H](C2CCN1CC2)NC(=O)C3=NC=C4C(=C3)C(=CS4)Br
InChI: InChI=1S/C16H18BrN3OS/c1-9-15(10-2-4-20(9)5-3-10)19-16(21)13-6-11-12(17)8-22-14(11)7-18-13/h6-10,15H,2-5H2,1H3,(H,19,21)/t9-,15-/m0/s1
SMILES: CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)N2CCC3(CC2)C(=O)NCN3C4=CC=CC=C4)C5=CC=CC6=C5CC7=CC=CC=C76)CCCO
InChI: InChI=1S/C37H41N3O5/c1-2-44-35-30(16-9-21-41)32(29-15-8-14-28-27-13-7-6-10-25(27)22-31(28)29)23-33(45-35)34(42)39-19-17-37(18-20-39)36(43)38-24-40(37)26-11-4-3-5-12-26/h3-8,10-15,23,30,32,35,41H,2,9,16-22,24H2,1H3,(H,38,43)/t30-,32-,35-/m0/s1
SMILES: CC1(O[C@H]2[C@H](N([C@@H]([C@H]2O1)CO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C)CCCOS(=O)(=O)C)C
InChI: InChI=1S/C23H45NO8SSi/c1-21(2,3)32-20(25)24-16(13-12-14-28-33(9,26)27)18-19(31-23(7,8)30-18)17(24)15-29-34(10,11)22(4,5)6/h16-19H,12-15H2,1-11H3/t16-,17-,18+,19-/m1/s1
SMILES: CC(=O)[C@H]1[C@@H]([C@H](NC1=O)CO[Si](C)(C)C(C)(C)C)C=C
InChI: InChI=1S/C15H27NO3Si/c1-8-11-12(16-14(18)13(11)10(2)17)9-19-20(6,7)15(3,4)5/h8,11-13H,1,9H2,2-7H3,(H,16,18)/t11-,12-,13+/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)C2=CN=CC=C2
InChI: InChI=1S/C17H24N2O3/c1-11-6-4-8-15(12(11)2)19-16(20)13(3)22-17(21)14-7-5-9-18-10-14/h5,7,9-13,15H,4,6,8H2,1-3H3,(H,19,20)/t11-,12-,13-,15-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)/C(=C/C2=CC(=C(C=C2)OC)F)/C#N
InChI: InChI=1S/C18H21FN2O2/c1-12-5-3-4-6-16(12)21-18(22)14(11-20)9-13-7-8-17(23-2)15(19)10-13/h7-10,12,16H,3-6H2,1-2H3,(H,21,22)/b14-9+/t12-,16-/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=CC5=NC=NC=C5C=C4)C(=O)O
InChI: InChI=1S/C21H18N8O5S2/c1-34-27-14(13-8-36-21(22)25-13)17(30)26-15-18(31)29-16(20(32)33)11(7-35-19(15)29)5-28-3-2-10-4-23-9-24-12(10)6-28/h2-4,6,8-9,15,19H,5,7H2,1H3,(H3-,22,25,26,30,32,33)/p+1/b27-14-/t15-,19-/m1/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=CC5=C(C=C4)SC=N5)C(=O)[O-]
InChI: InChI=1S/C20H17N7O5S3/c1-32-25-13(11-7-34-20(21)23-11)16(28)24-14-17(29)27-15(19(30)31)9(6-33-18(14)27)4-26-3-2-12-10(5-26)22-8-35-12/h2-3,5,7-8,14,18H,4,6H2,1H3,(H3-,21,23,24,28,30,31)/b25-13-/t14-,18-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-]
InChI: InChI=1S/C17H21ClN2O5/c1-10-4-3-5-14(11(10)2)19-16(21)9-25-17(22)13-8-12(18)6-7-15(13)20(23)24/h6-8,10-11,14H,3-5,9H2,1-2H3,(H,19,21)/t10-,11+,14+/m0/s1
SMILES: CNC[C@H]1CC[C@H]2[C@H](N1)C3=C(CC4=CC=CC=C24)C=CC(=C3)F
InChI: InChI=1S/C20H23FN2/c1-22-12-16-8-9-18-17-5-3-2-4-13(17)10-14-6-7-15(21)11-19(14)20(18)23-16/h2-7,11,16,18,20,22-23H,8-10,12H2,1H3/t16-,18-,20+/m1/s1
SMILES: C[C@]12CCC[C@](C1CCC(=O)[C@@H]2CCC3=CCOC3=O)(C)C(=O)OC
InChI: InChI=1S/C20H28O5/c1-19-10-4-11-20(2,18(23)24-3)16(19)8-7-15(21)14(19)6-5-13-9-12-25-17(13)22/h9,14,16H,4-8,10-12H2,1-3H3/t14-,16?,19+,20-/m0/s1
SMILES: COC(=O)[C@H]1[C@H]2CN(C([C@H](O2)O1)CC3=CC=CC=C3)C(=O)[C@H]4[C@H]5CN(C[C@H](O5)O4)CC6=CC=CC=C6
InChI: InChI=1S/C27H30N2O7/c1-32-26(31)24-21-15-29(19(27(34-21)36-24)12-17-8-4-2-5-9-17)25(30)23-20-14-28(16-22(33-20)35-23)13-18-10-6-3-7-11-18/h2-11,19-24,27H,12-16H2,1H3/t19?,20-,21-,22-,23-,24-,27-/m1/s1
SMILES: C[C@@H]1CC2=C([C@@H](C(=C(N2)C)C(=O)OC3CCCC3)C4=CC=CC=C4OC(C)C)C(=O)[C@@H]1C(=O)OC
InChI: InChI=1S/C28H35NO6/c1-15(2)34-21-13-9-8-12-19(21)24-23(28(32)35-18-10-6-7-11-18)17(4)29-20-14-16(3)22(27(31)33-5)26(30)25(20)24/h8-9,12-13,15-16,18,22,24,29H,6-7,10-11,14H2,1-5H3/t16-,22-,24-/m1/s1
SMILES: CC1=CC[C@H]2[C@@H]1[C@H]3C(=C(C(=O)O3)C)CC[C@]2(C)O[C@@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C21H30O8/c1-9-4-5-12-14(9)18-11(10(2)19(26)28-18)6-7-21(12,3)29-20-17(25)16(24)15(23)13(8-22)27-20/h4,12-18,20,22-25H,5-8H2,1-3H3/t12-,13+,14+,15+,16+,17+,18+,20+,21-/m0/s1
SMILES: CN1C(=O)[C@H]2CC3=C(C=CC4=C3[C@H]([C@H]2C1=O)C5=CC=CC=C5O4)Cl
InChI: InChI=1S/C19H14ClNO3/c1-21-18(22)11-8-10-12(20)6-7-14-15(10)16(17(11)19(21)23)9-4-2-3-5-13(9)24-14/h2-7,11,16-17H,8H2,1H3/t11-,16+,17-/m0/s1
SMILES: C[C@H]1C[C@@]2([C@]3([C@H]4[C@@H](O2)C[C@@H]5[C@@]4(C[C@@H]([C@H]6[C@H]5CC[C@@H]7[C@@]6(CC[C@H](C7)OC(=O)C)C)O)[C@@H](O3)O)C)OC1(C)C
InChI: InChI=1S/C30H46O7/c1-15-13-30(37-26(15,3)4)28(6)24-22(35-30)12-20-19-8-7-17-11-18(34-16(2)31)9-10-27(17,5)23(19)21(32)14-29(20,24)25(33)36-28/h15,17-25,32-33H,7-14H2,1-6H3/t15-,17-,18+,19-,20-,21-,22-,23+,24+,25+,27-,28+,29+,30-/m0/s1
SMILES: C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)SC3CCN4C3=[N+](C=C4)C)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])O
InChI: InChI=1S/C22H23N4O6S2/c1-12(27)16-19(28)25-17(21(29)32-11-13-3-5-14(6-4-13)26(30)31)22(34-20(16)25)33-15-7-8-24-10-9-23(2)18(15)24/h3-6,9-10,12,15-16,20,27H,7-8,11H2,1-2H3/q+1/t12-,15?,16+,20-/m1/s1
SMILES: CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)OCC(=O)N3CCC[C@@H]4[C@H]3CCCC4
InChI: InChI=1S/C25H31N3O3/c1-18-22(19(2)28(26-18)21-11-4-3-5-12-21)14-15-25(30)31-17-24(29)27-16-8-10-20-9-6-7-13-23(20)27/h3-5,11-12,14-15,20,23H,6-10,13,16-17H2,1-2H3/b15-14+/t20-,23-/m1/s1
SMILES: CC(C)(C)OC(=O)NC(CC1=C(C=C(C=C1)Cl)Cl)C(=O)N2CCN(CC2)[C@@H]3CCCC[C@H]3COC(=O)C4=CC=CC=C4
InChI: InChI=1S/C32H41Cl2N3O5/c1-32(2,3)42-31(40)35-27(19-23-13-14-25(33)20-26(23)34)29(38)37-17-15-36(16-18-37)28-12-8-7-11-24(28)21-41-30(39)22-9-5-4-6-10-22/h4-6,9-10,13-14,20,24,27-28H,7-8,11-12,15-19,21H2,1-3H3,(H,35,40)/t24-,27?,28+/m0/s1
SMILES: CCOC(=O)[C@@H]1CC(=C)[C@H]([C@H]([C@]1(/C(=C/C=C\C(C)C)/C(=O)O)O)O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C24H40O7Si/c1-10-30-22(28)18-14-16(4)19(31-32(8,9)23(5,6)7)20(25)24(18,29)17(21(26)27)13-11-12-15(2)3/h11-13,15,18-20,25,29H,4,10,14H2,1-3,5-9H3,(H,26,27)/b12-11-,17-13+/t18-,19+,20+,24+/m0/s1
SMILES: CC(C)C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)SC)O)O)O)NC(=O)C2CC(CN2)CC=C3CCC3
InChI: InChI=1S/C21H36N2O5S/c1-11(2)15(19-17(25)16(24)18(26)21(28-19)29-3)23-20(27)14-9-13(10-22-14)8-7-12-5-4-6-12/h7,11,13-19,21-22,24-26H,4-6,8-10H2,1-3H3,(H,23,27)/t13?,14?,15?,16-,17+,18+,19+,21+/m0/s1
SMILES: CC(=O)O[C@@H]1C(=O)C[C@@H]2C13[C@]2([C@@H](CC3)O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)C
InChI: InChI=1S/C28H34O4Si/c1-19(29)31-25-22(30)18-23-27(5)24(16-17-28(23,25)27)32-33(26(2,3)4,20-12-8-6-9-13-20)21-14-10-7-11-15-21/h6-15,23-25H,16-18H2,1-5H3/t23-,24+,25+,27+,28?/m0/s1
SMILES: C/C(=N\O)/C1=CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)OC(=O)C)C)C
InChI: InChI=1S/C23H33NO3/c1-14(24-26)19-7-8-20-18-6-5-16-13-17(27-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,7,17-18,20-21,26H,6,8-13H2,1-4H3/b24-14+/t17?,18-,20-,21-,22-,23+/m0/s1
SMILES: CC(=O)N=C1N([C@H]2CS(=O)(=O)C[C@@H]2S1)C3=CC(=C(C=C3)Cl)Cl
InChI: InChI=1S/C13H12Cl2N2O3S2/c1-7(18)16-13-17(8-2-3-9(14)10(15)4-8)11-5-22(19,20)6-12(11)21-13/h2-4,11-12H,5-6H2,1H3/t11-,12-/m0/s1
SMILES: C1CC[C@@H]2[C@@]3(CC4=C(N2CC1)C=CC(=C4)N)C(=O)NC(=O)N(C3=O)CC5=CC=CC=C5
InChI: InChI=1S/C24H26N4O3/c25-18-10-11-19-17(13-18)14-24(20-9-5-2-6-12-27(19)20)21(29)26-23(31)28(22(24)30)15-16-7-3-1-4-8-16/h1,3-4,7-8,10-11,13,20H,2,5-6,9,12,14-15,25H2,(H,26,29,31)/t20-,24+/m1/s1