EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(=O)O[C@H]1[C@H](O[C@H]2[C@@H]1OC3(O2)CCCCC3)[C@@H]4COC5(O4)CCCCC5
InChI: InChI=1S/C20H30O7/c1-13(21)23-16-15(14-12-22-19(25-14)8-4-2-5-9-19)24-18-17(16)26-20(27-18)10-6-3-7-11-20/h14-18H,2-12H2,1H3/t14-,15+,16-,17+,18+/m0/s1
SMILES: C[C@H]([C@@H]1C[C@@]1(C)[C@H](C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C(=O)OC
InChI: InChI=1S/C23H27NO4/c1-16(21(25)27-3)19-14-23(19,2)20(18-12-8-5-9-13-18)24-22(26)28-15-17-10-6-4-7-11-17/h4-13,16,19-20H,14-15H2,1-3H3,(H,24,26)/t16-,19+,20+,23-/m1/s1
SMILES: CC1=CC=C(C=C1)S[C@H]2[C@@H]([C@@H]([C@@H]([C@H](O2)COC(=O)Cl)N=[N+]=[N-])N=[N+]=[N-])OC(=O)C3=CC=CC=C3
InChI: InChI=1S/C21H19ClN6O5S/c1-12-7-9-14(10-8-12)34-20-18(33-19(29)13-5-3-2-4-6-13)17(26-28-24)16(25-27-23)15(32-20)11-31-21(22)30/h2-10,15-18,20H,11H2,1H3/t15-,16-,17-,18-,20+/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C([C@H](C(=O)O1)C)OC(=O)NC(C)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC/C=C/C4=CC5=CC=CC=C5N=C4)C)C)NC(=O)O2)C
InChI: InChI=1S/C46H68N4O11/c1-13-35-46(10)39(49-44(55)61-46)28(6)36(51)26(4)23-45(9,56-20-16-17-31-22-32-18-14-15-19-33(32)47-24-31)40(60-42-37(52)34(50(11)12)21-27(5)57-42)29(7)38(30(8)41(53)58-35)59-43(54)48-25(2)3/h14-19,22,24-30,34-35,37-40,42,52H,13,20-21,23H2,1-12H3,(H,48,54)(H,49,55)/b17-16+/t26-,27-,28+,29+,30-,34+,35-,37-,38?,39+,40-,42+,45-,46-/m1/s1
SMILES: CC1=C(C=CC2=C1N[C@H]([C@@H]3[C@@H]2C=CC3)C4=CC=CC=C4Cl)C(=O)[O-]
InChI: InChI=1S/C20H18ClNO2/c1-11-12(20(23)24)9-10-15-13-6-4-7-14(13)19(22-18(11)15)16-5-2-3-8-17(16)21/h2-6,8-10,13-14,19,22H,7H2,1H3,(H,23,24)/p-1/t13-,14-,19+/m0/s1
SMILES: CC(=O)N1C2=C(C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5[C@@]4(CC[C@@H](C5)OC(=O)C)C)C)C=C(C1=N)C#N
InChI: InChI=1S/C27H35N3O3/c1-15(31)30-24-17(11-18(14-28)25(30)29)12-23-21-6-5-19-13-20(33-16(2)32)7-9-26(19,3)22(21)8-10-27(23,24)4/h11,19-23,29H,5-10,12-13H2,1-4H3/t19?,20-,21+,22-,23-,26-,27-/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H](C(=C(NC1=O)SCC(=O)NC2=CC=CC(=C2C)C)C#N)C3=CC=CC=C3Cl
InChI: InChI=1S/C25H24ClN3O4S/c1-4-33-25(32)22-21(16-9-5-6-10-18(16)26)17(12-27)24(29-23(22)31)34-13-20(30)28-19-11-7-8-14(2)15(19)3/h5-11,21-22H,4,13H2,1-3H3,(H,28,30)(H,29,31)/t21-,22+/m0/s1
SMILES: COC1=CC=C(C=C1)N2[C@H]([C@H](C2=O)N3[C@@H]([C@@H](OC3=O)C4=CC=CC=C4)C5=CC=CC=C5)C#CC6=CC=CC=C6
InChI: InChI=1S/C33H26N2O4/c1-38-27-20-18-26(19-21-27)34-28(22-17-23-11-5-2-6-12-23)30(32(34)36)35-29(24-13-7-3-8-14-24)31(39-33(35)37)25-15-9-4-10-16-25/h2-16,18-21,28-31H,1H3/t28-,29+,30+,31-/m0/s1
SMILES: CC1=NC2=C(N1C)C=C(C3=C2N[C@@H]([C@@H]([C@@H]3O)O)C4=CC=CC=C4)C(=O)NC
InChI: InChI=1S/C20H22N4O3/c1-10-22-16-13(24(10)3)9-12(20(27)21-2)14-17(16)23-15(19(26)18(14)25)11-7-5-4-6-8-11/h4-9,15,18-19,23,25-26H,1-3H3,(H,21,27)/t15-,18-,19+/m1/s1
SMILES: COC1=CC(=C(C=C1)OC)NC(=O)C2[C@H]3[C@H]2CC/C=C\CC/C=C\CC3
InChI: InChI=1S/C22H29NO3/c1-25-16-13-14-20(26-2)19(15-16)23-22(24)21-17-11-9-7-5-3-4-6-8-10-12-18(17)21/h5-8,13-15,17-18,21H,3-4,9-12H2,1-2H3,(H,23,24)/b7-5-,8-6-/t17-,18-/m1/s1
SMILES: CC1=CC=C(C=C1)O[C@@H]2[C@H]([C@@H]([C@H](CO2)O)O)O
InChI: InChI=1S/C12H16O5/c1-7-2-4-8(5-3-7)17-12-11(15)10(14)9(13)6-16-12/h2-5,9-15H,6H2,1H3/t9-,10+,11-,12+/m0/s1
SMILES: C[C@]1(C[C@@H]([C@H]2N1C(=O)/C=C\CN3[C@@H]2[C@H](C3=O)OC)C(=O)OC)C(=O)OC
InChI: InChI=1S/C17H22N2O7/c1-17(16(23)26-4)8-9(15(22)25-3)11-12-13(24-2)14(21)18(12)7-5-6-10(20)19(11)17/h5-6,9,11-13H,7-8H2,1-4H3/b6-5-/t9-,11+,12-,13+,17-/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H](N1C(=O)[C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)C(=O)OCC3=CC=CC=C3
InChI: InChI=1S/C27H32N2O7/c1-5-34-24(31)21-22(25(32)35-17-19-14-10-7-11-15-19)29(21)23(30)20(16-18-12-8-6-9-13-18)28-26(33)36-27(2,3)4/h6-15,20-22H,5,16-17H2,1-4H3,(H,28,33)/t20-,21-,22-,29?/m0/s1
SMILES: CCCCCCCC(=O)N(CC1=CC=C(C=C1)F)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=C(C=C(C=C3I)CO)OC)C(=O)NCCO
InChI: InChI=1S/C32H42FIN2O7/c1-3-4-5-6-7-8-29(39)36(19-21-9-11-24(33)12-10-21)26-17-23(32(41)35-13-14-37)18-27(30(26)40)43-31-25(34)15-22(20-38)16-28(31)42-2/h9-12,15-16,18,26-27,30,37-38,40H,3-8,13-14,17,19-20H2,1-2H3,(H,35,41)/t26-,27+,30+/m1/s1
SMILES: C[C@H]1C[C@]2([C@H]([C@H]1OC(=O)C3=CC=CC=C3)[C@H]([C@@]4(CC5=C(CC(C5=O)(C)C)[C@]([C@H]2OC(=O)C)([C@H]4OC(=O)C)C)OC(=O)C)OC(=O)COC(=O)C)O
InChI: InChI=1S/C37H44O14/c1-18-14-36(45)27(28(18)50-31(44)23-12-10-9-11-13-23)30(49-26(42)17-46-19(2)38)37(51-22(5)41)15-24-25(16-34(6,7)29(24)43)35(8,32(36)47-20(3)39)33(37)48-21(4)40/h9-13,18,27-28,30,32-33,45H,14-17H2,1-8H3/t18-,27+,28-,30+,32+,33+,35+,36+,37+/m0/s1
SMILES: CCC(=O)N1[C@@H]([C@@](C1=O)(C)C(=O)[C@H](C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)/C=C(\C)/CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C34H67NO6Si3/c1-20-28(36)35-27(21-24(2)22-39-42(14,15)31(4,5)6)34(13,30(35)38)29(37)25(3)26(41-44(18,19)33(10,11)12)23-40-43(16,17)32(7,8)9/h21,25-27H,20,22-23H2,1-19H3/b24-21+/t25-,26-,27-,34+/m1/s1
SMILES: CC1(N([C@H]([C@@H](O1)CC(CO)/C=C/C2=CC=CC=C2)CC3=CC=CC=C3)C(=O)OC(C)(C)C)C
InChI: InChI=1S/C28H37NO4/c1-27(2,3)33-26(31)29-24(18-22-14-10-7-11-15-22)25(32-28(29,4)5)19-23(20-30)17-16-21-12-8-6-9-13-21/h6-17,23-25,30H,18-20H2,1-5H3/b17-16+/t23?,24-,25-/m0/s1
SMILES: CC(C)(C)C1=CC2=C(C=C1)N[C@H]([C@H]3[C@@H]2OCCC3)C4=CC=CO4
InChI: InChI=1S/C20H25NO2/c1-20(2,3)13-8-9-16-15(12-13)19-14(6-4-11-23-19)18(21-16)17-7-5-10-22-17/h5,7-10,12,14,18-19,21H,4,6,11H2,1-3H3/t14-,18+,19-/m0/s1
SMILES: C[C@@H]([C@@H]1C[C@@H]2CC[C@H]1C2)NC(=O)C[N+]34CC[N+](CC3)(CC4)CC(=O)N(C5=CC=CC=C5)C(C)C
InChI: InChI=1S/C28H43N4O2/c1-21(2)30(25-7-5-4-6-8-25)28(34)20-32-14-11-31(12-15-32,13-16-32)19-27(33)29-22(3)26-18-23-9-10-24(26)17-23/h4-8,21-24,26H,9-20H2,1-3H3/q+1/p+1/t22-,23+,24-,26-,31?,32?/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)C4=CC=CC(=C4)CNC(=O)CCCCCNC(=O)C)CN5CCC[C@H]5CO
InChI: InChI=1S/C39H51N3O6/c1-27-36(24-42-20-8-13-35(42)26-44)47-39(48-38(27)31-17-15-29(25-43)16-18-31)34-12-7-11-33(22-34)32-10-6-9-30(21-32)23-41-37(46)14-4-3-5-19-40-28(2)45/h6-7,9-12,15-18,21-22,27,35-36,38-39,43-44H,3-5,8,13-14,19-20,23-26H2,1-2H3,(H,40,45)(H,41,46)/t27-,35+,36+,38+,39+/m1/s1
SMILES: CN([C@H]1CC(=NOC2CCCCO2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC6=CC=CC(=C6)C=O)OCC=C)CCCCO)CCCCO)C(=O)C=CC7=CC=C(C=C7)[N+](=O)[O-]
InChI: InChI=1S/C49H57N3O11/c1-3-26-60-49-44(51(2)45(56)23-18-33-16-19-36(20-17-33)52(57)58)31-42(50-63-46-15-6-9-27-59-46)40-29-35(12-4-7-24-53)39(14-5-8-25-54)47(48(40)49)41-30-38(21-22-43(41)62-49)61-37-13-10-11-34(28-37)32-55/h3,10-11,13,16-23,28-30,32,35,39,44,46-48,53-54H,1,4-9,12,14-15,24-27,31H2,2H3/t35-,39+,44-,46?,47+,48+,49+/m0/s1
SMILES: C[C@H]1C[C@@H]1C(=O)OCC(=O)NC2=CC=CC=C2C(=O)N[C@@H](C)C3=CC=CC=C3
InChI: InChI=1S/C22H24N2O4/c1-14-12-18(14)22(27)28-13-20(25)24-19-11-7-6-10-17(19)21(26)23-15(2)16-8-4-3-5-9-16/h3-11,14-15,18H,12-13H2,1-2H3,(H,23,26)(H,24,25)/t14-,15-,18-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)N2CCN(CC2)CC3=CC(=C(C=C3)OC)OC
InChI: InChI=1S/C23H37N3O3/c1-17-7-5-6-8-20(17)24-23(27)18(2)26-13-11-25(12-14-26)16-19-9-10-21(28-3)22(15-19)29-4/h9-10,15,17-18,20H,5-8,11-14,16H2,1-4H3,(H,24,27)/t17-,18+,20-/m0/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@@H](NC3=C2C=CC=C3C(=O)O)C4=CC(=CC=C4)Br
InChI: InChI=1S/C19H16BrNO2/c20-12-5-1-4-11(10-12)17-14-7-2-6-13(14)15-8-3-9-16(19(22)23)18(15)21-17/h1-6,8-10,13-14,17,21H,7H2,(H,22,23)/t13-,14+,17-/m0/s1
SMILES: CCOC(=O)[C@H]1[C@@H](NC(=O)N([C@@]1(C(F)(F)F)O)C)C2=CC(=CC=C2)[N+](=O)[O-]
InChI: InChI=1S/C15H16F3N3O6/c1-3-27-12(22)10-11(8-5-4-6-9(7-8)21(25)26)19-13(23)20(2)14(10,24)15(16,17)18/h4-7,10-11,24H,3H2,1-2H3,(H,19,23)/t10-,11+,14-/m1/s1
SMILES: CC1=CC(=CC(=C1O)C)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)C(=C(C5=O)C)C)C)C(=O)N(C4=O)CCCC(=O)O
InChI: InChI=1S/C31H35NO7/c1-14-11-18(12-15(2)26(14)35)25-19-8-9-20-24(30(39)32(29(20)38)10-6-7-23(33)34)21(19)13-22-27(36)16(3)17(4)28(37)31(22,25)5/h8,11-12,20-22,24-25,35H,6-7,9-10,13H2,1-5H3,(H,33,34)/t20-,21+,22-,24-,25-,31+/m0/s1
SMILES: COC1=CC=CC(=C1)C/C(=N\OS(=O)(=O)[O-])/S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
InChI: InChI=1S/C15H21NO10S2/c1-24-9-4-2-3-8(5-9)6-11(16-26-28(21,22)23)27-15-14(20)13(19)12(18)10(7-17)25-15/h2-5,10,12-15,17-20H,6-7H2,1H3,(H,21,22,23)/p-1/b16-11+/t10-,12-,13+,14-,15+/m1/s1
SMILES: C[C@@H](C12CC3CC(C1)CC(C3)C2)NC(=O)CCN4C(=O)[C@H]5CC=CC[C@@H]5C4=O
InChI: InChI=1S/C23H32N2O3/c1-14(23-11-15-8-16(12-23)10-17(9-15)13-23)24-20(26)6-7-25-21(27)18-4-2-3-5-19(18)22(25)28/h2-3,14-19H,4-13H2,1H3,(H,24,26)/t14-,15?,16?,17?,18-,19-,23?/m0/s1
SMILES: CCC1=CN(N=C1)[C@H]2C[C@H]([C@@H]([C@@H]2O)O)N3C=NC4=C(N=C(N=C43)N5CC[C@@H](C5)NC(=O)NCC6=CC=NC=C6)NCC(C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C40H45N11O3/c1-2-26-21-45-51(23-26)33-19-32(35(52)36(33)53)50-25-44-34-37(42-22-31(28-9-5-3-6-10-28)29-11-7-4-8-12-29)47-39(48-38(34)50)49-18-15-30(24-49)46-40(54)43-20-27-13-16-41-17-14-27/h3-14,16-17,21,23,25,30-33,35-36,52-53H,2,15,18-20,22,24H2,1H3,(H,42,47,48)(H2,43,46,54)/t30-,32+,33-,35-,36+/m0/s1
SMILES: CC1([C@@H]2CC[C@]13CS(=O)(=O)N([C@@H]3C2)C(=O)[C@@H]4C[C@H]([C@H]5CC[C@@H]4O5)[Hg]Cl)C
InChI: InChI=1S/C18H26NO4S.ClH.Hg/c1-17(2)11-7-8-18(17)10-24(21,22)19(15(18)9-11)16(20)13-5-3-12-4-6-14(13)23-12;;/h3,11-15H,4-10H2,1-2H3;1H;/q;;+1/p-1/t11-,12+,13-,14+,15-,18-;;/m1../s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)NC(=S)N
InChI: InChI=1S/C11H16N4O4S/c1-5-3-15(11(18)14-9(5)17)8-2-6(13-10(12)20)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H3,12,13,20)(H,14,17,18)/t6-,7+,8+/m0/s1
SMILES: CC(C1=CC=C(O1)[C@H]2C[C@H]2C3CC3)C4=CC=C(O4)[C@@H]5C[C@@H]5C6CC6
InChI: InChI=1S/C22H26O2/c1-12(19-6-8-21(23-19)17-10-15(17)13-2-3-13)20-7-9-22(24-20)18-11-16(18)14-4-5-14/h6-9,12-18H,2-5,10-11H2,1H3/t12?,15-,16+,17-,18+
SMILES: C[C@H]1[C@H](N(C(=O)N1C)C(=O)[C@H](CC2=CC=CC=C2)SC3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C26H26N2O2S/c1-19-24(21-14-8-4-9-15-21)28(26(30)27(19)2)25(29)23(18-20-12-6-3-7-13-20)31-22-16-10-5-11-17-22/h3-17,19,23-24H,18H2,1-2H3/t19-,23-,24-/m0/s1
SMILES: C1C[C@H]2C[C@H]1[C@H]3[C@H]2C(=O)N(C3=O)C4=CC=CC=C4OCC(=O)C5=CC=C(C=C5)F
InChI: InChI=1S/C23H20FNO4/c24-16-9-7-13(8-10-16)18(26)12-29-19-4-2-1-3-17(19)25-22(27)20-14-5-6-15(11-14)21(20)23(25)28/h1-4,7-10,14-15,20-21H,5-6,11-12H2/t14-,15-,20-,21-/m0/s1
SMILES: C[C@H](C[C@H]1[C@@H](C[C@]2([C@H](O1)C[C@@H]([C@H](O2)C(=C)C)O)C)O[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C28H56O5Si2/c1-19(2)25-21(29)16-24-28(10,32-25)17-23(33-35(13,14)27(7,8)9)22(31-24)15-20(3)18-30-34(11,12)26(4,5)6/h20-25,29H,1,15-18H2,2-14H3/t20-,21+,22+,23-,24-,25-,28+/m1/s1
SMILES: COC1=C(C=CC(=C1)/C=C/C(=O)O[C@H]2[C@@H]([C@H](O[C@@]2(CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C4=CC=CC=C4)O)O)O)CO)O)O
InChI: InChI=1S/C29H34O15/c1-39-18-11-15(7-9-17(18)32)8-10-21(33)42-26-23(35)19(12-30)43-29(26,14-31)44-28-25(37)24(36)22(34)20(41-28)13-40-27(38)16-5-3-2-4-6-16/h2-11,19-20,22-26,28,30-32,34-37H,12-14H2,1H3/b10-8+/t19-,20-,22-,23-,24+,25-,26+,28-,29+/m1/s1
SMILES: CN1C(=O)[C@@H]2[C@H]3C4=CC=CC=C4N([C@H](N3O[C@@H]2C1=O)C5=CC=CC=C5)C6=CC=CC=C6
InChI: InChI=1S/C25H21N3O3/c1-26-24(29)20-21-18-14-8-9-15-19(18)27(17-12-6-3-7-13-17)23(16-10-4-2-5-11-16)28(21)31-22(20)25(26)30/h2-15,20-23H,1H3/t20-,21-,22+,23-/m1/s1
SMILES: COC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C21H22N2O7/c1-29-21(28)13-6-8-14(9-7-13)22-17(24)12-30-18(25)10-11-23-19(26)15-4-2-3-5-16(15)20(23)27/h2-3,6-9,15-16H,4-5,10-12H2,1H3,(H,22,24)/t15-,16-/m0/s1
SMILES: CCOC(=O)[C@H]1[C@@H](CC2=C(C1=O)[C@@H](CC(=O)N2)C3=CC(=CC=C3)OC)C4=CC=CO4
InChI: InChI=1S/C23H23NO6/c1-3-29-23(27)21-16(18-8-5-9-30-18)11-17-20(22(21)26)15(12-19(25)24-17)13-6-4-7-14(10-13)28-2/h4-10,15-16,21H,3,11-12H2,1-2H3,(H,24,25)/t15-,16-,21-/m0/s1
SMILES: CC(=O)O[C@@H]1[C@H](C[C@H](O[C@H]1OC)C(=O)OC)NC(=O)OC(C)(C)C
InChI: InChI=1S/C15H25NO8/c1-8(17)22-11-9(16-14(19)24-15(2,3)4)7-10(12(18)20-5)23-13(11)21-6/h9-11,13H,7H2,1-6H3,(H,16,19)/t9-,10-,11+,13+/m0/s1
SMILES: C1[C@@H]([C@H]1C(=O)NNC(=O)C2=COC(=O)C(=C2)Br)C3=CC=CC=C3
InChI: InChI=1S/C16H13BrN2O4/c17-13-6-10(8-23-16(13)22)14(20)18-19-15(21)12-7-11(12)9-4-2-1-3-5-9/h1-6,8,11-12H,7H2,(H,18,20)(H,19,21)/t11-,12+/m1/s1
SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(=C(Cl)Cl)C3=CC=CS3)C(=O)O)C
InChI: InChI=1S/C15H14Cl2N2O4S2/c1-15(2)9(14(22)23)19-12(21)8(13(19)25-15)18-11(20)7(10(16)17)6-4-3-5-24-6/h3-5,8-9,13H,1-2H3,(H,18,20)(H,22,23)/t8-,9+,13-/m1/s1
SMILES: CC(C)(C)N1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)C[C@H]4C(=O)N(C(=O)[C@]4([C@H]3C5=CC(=C(C=C5)O)F)C6=CC=CC=C6)C7=CC(=CC=C7)Cl
InChI: InChI=1S/C36H32ClFN2O5/c1-35(2,3)40-31(42)24-14-13-23-25(29(24)33(40)44)18-26-32(43)39(22-11-7-10-21(37)17-22)34(45)36(26,20-8-5-4-6-9-20)30(23)19-12-15-28(41)27(38)16-19/h4-13,15-17,24-26,29-30,41H,14,18H2,1-3H3/t24-,25+,26-,29-,30-,36+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OCC[Si](C)(C)C)OC(=O)C)OCC2=CC3=CC=CC=C3C=C2)OC(=O)C
InChI: InChI=1S/C28H38O9Si/c1-18(29)33-17-24-25(35-19(2)30)26(34-16-21-11-12-22-9-7-8-10-23(22)15-21)27(36-20(3)31)28(37-24)32-13-14-38(4,5)6/h7-12,15,24-28H,13-14,16-17H2,1-6H3/t24-,25+,26+,27-,28-/m1/s1
SMILES: CCCCOC(=O)C1=C(O[C@@]23[C@@]1(C(=C(O2)N)C#N)C(=O)C4=CC=CC=C34)C
InChI: InChI=1S/C20H18N2O5/c1-3-4-9-25-18(24)15-11(2)26-20-13-8-6-5-7-12(13)16(23)19(15,20)14(10-21)17(22)27-20/h5-8H,3-4,9,22H2,1-2H3/t19-,20-/m1/s1
SMILES: CC(C)C[C@@H]([C@H]([C@@H]1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)OCC2=CC=CC=C2)O)NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C
InChI: InChI=1S/C34H55N3O7S/c1-21(2)19-27(35-31(40)26(17-18-45-8)36-33(42)44-34(5,6)7)29(38)24-15-12-16-25(24)30(39)37-28(22(3)4)32(41)43-20-23-13-10-9-11-14-23/h9-11,13-14,21-22,24-29,38H,12,15-20H2,1-8H3,(H,35,40)(H,36,42)(H,37,39)/t24-,25-,26+,27+,28+,29+/m1/s1
SMILES: CN([C@H]1CC(=NOCC2=CC=CC=C2)C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OC6=CC=CC(=C6)[N+](=O)[O-])OCC=C)CCCCO)CCCCO)C(=O)C7=CC8=C(C=C7)OCO8
InChI: InChI=1S/C49H53N3O11/c1-3-24-60-49-45(51(2)48(55)34-18-20-43-44(26-34)59-31-58-43)29-41(50-61-30-32-12-5-4-6-13-32)39-25-33(14-7-9-22-53)38(17-8-10-23-54)46(47(39)49)40-28-37(19-21-42(40)63-49)62-36-16-11-15-35(27-36)52(56)57/h3-6,11-13,15-16,18-21,25-28,33,38,45-47,53-54H,1,7-10,14,17,22-24,29-31H2,2H3/t33-,38+,45-,46+,47+,49+/m0/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@](O2)(COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)/C=C/CCCCCNC(=O)C(F)(F)F)OP(N(C(C)C)C(C)C)OCCC#N
InChI: InChI=1S/C49H61F3N5O9P/c1-34(2)57(35(3)4)67(64-30-16-28-53)66-42-31-43(56-32-36(5)44(58)55-46(56)60)65-47(42,27-14-9-8-10-15-29-54-45(59)49(50,51)52)33-63-48(37-17-12-11-13-18-37,38-19-23-40(61-6)24-20-38)39-21-25-41(62-7)26-22-39/h11-14,17-27,32,34-35,42-43H,8-10,15-16,29-31,33H2,1-7H3,(H,54,59)(H,55,58,60)/b27-14+/t42-,43+,47+,67?/m0/s1
SMILES: C1=CC=C(C=C1)C(=C2[C@@H]3C=C[C@H]2[C@@H]4[C@H]3C(=O)N(C4=O)C5=C(C=CC(=C5)C(F)(F)F)Cl)C6=CC=CC=C6
InChI: InChI=1S/C29H19ClF3NO2/c30-21-14-11-18(29(31,32)33)15-22(21)34-27(35)25-19-12-13-20(26(25)28(34)36)24(19)23(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-15,19-20,25-26H/t19-,20+,25-,26+
SMILES: CC1([C@H]2[C@@H]1C=C([C@@H](C2)OC)[C@H]3CCCC[C@@]3(C=C)O)C
InChI: InChI=1S/C18H28O2/c1-5-18(19)9-7-6-8-13(18)12-10-14-15(17(14,2)3)11-16(12)20-4/h5,10,13-16,19H,1,6-9,11H2,2-4H3/t13-,14+,15-,16-,18-/m1/s1
SMILES: CCOC(=O)[C@@H]1[C@H]2[C@@]1(C(=O)N(C2=O)C3=CC(=CC=C3)OC)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C21H18ClNO5/c1-3-28-19(25)17-16-18(24)23(14-5-4-6-15(11-14)27-2)20(26)21(16,17)12-7-9-13(22)10-8-12/h4-11,16-17H,3H2,1-2H3/t16-,17+,21+/m1/s1
SMILES: CC1=CC=C(O1)[C@H]2[C@H]3C(=NC(=C2C#N)SCC(=O)NC4=CC=C(C=C4)C(=O)C)CCCC3=O
InChI: InChI=1S/C25H23N3O4S/c1-14-6-11-21(32-14)23-18(12-26)25(28-19-4-3-5-20(30)24(19)23)33-13-22(31)27-17-9-7-16(8-10-17)15(2)29/h6-11,23-24H,3-5,13H2,1-2H3,(H,27,31)/t23-,24-/m0/s1
SMILES: C1C[C@H]2C[C@@H]1[C@H]3[C@H]2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)OCC(=O)C5=CC=C(C=C5)[N+](=O)[O-]
InChI: InChI=1S/C24H20N2O7/c27-19(13-3-9-18(10-4-13)26(31)32)12-33-24(30)14-5-7-17(8-6-14)25-22(28)20-15-1-2-16(11-15)21(20)23(25)29/h3-10,15-16,20-21H,1-2,11-12H2/t15-,16+,20-,21-/m0/s1
SMILES: CC(C)(C)C1=NC(=NC=C1)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3[NH2+]CC4CCCCC4
InChI: InChI=1S/C21H34N4O2/c1-21(2,3)17-9-10-22-20(25-17)24-16-13-27-18-15(12-26-19(16)18)23-11-14-7-5-4-6-8-14/h9-10,14-16,18-19,23H,4-8,11-13H2,1-3H3,(H,22,24,25)/p+1/t15-,16-,18+,19+/m0/s1
SMILES: C1CC[C@H]2[C@@H](C1)C2C(=O)N/N=C\C3=CC=CC=C3[N+](=O)[O-]
InChI: InChI=1S/C15H17N3O3/c19-15(14-11-6-2-3-7-12(11)14)17-16-9-10-5-1-4-8-13(10)18(20)21/h1,4-5,8-9,11-12,14H,2-3,6-7H2,(H,17,19)/b16-9-/t11-,12+,14?
SMILES: C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)[C@@H]4CC=CC[C@@H]4C(=O)[O-]
InChI: InChI=1S/C20H29NO3/c1-12(20-9-13-6-14(10-20)8-15(7-13)11-20)21-18(22)16-4-2-3-5-17(16)19(23)24/h2-3,12-17H,4-11H2,1H3,(H,21,22)(H,23,24)/p-1/t12-,13?,14?,15?,16-,17+,20?/m1/s1
SMILES: CC1=C2[C@@H](CC1=O)[C@@]3(C[C@@H]3[C@@H]4[C@H]2OC(=O)C4=C)C
InChI: InChI=1S/C15H16O3/c1-6-10(16)4-8-11(6)13-12(7(2)14(17)18-13)9-5-15(8,9)3/h8-9,12-13H,2,4-5H2,1,3H3/t8-,9-,12-,13+,15+/m1/s1
SMILES: CCCCCCCC(C)CC(=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/C30H48O3/c1-5-6-7-8-9-10-21(2)19-28(32)33-27-14-13-25-24-12-11-22-20-23(31)15-17-29(22,3)26(24)16-18-30(25,27)4/h20-21,24-27H,5-19H2,1-4H3/t21?,24-,25-,26-,27-,29-,30-/m0/s1
SMILES: CC1=CC=CC=C1NC(=O)[C@H]2[C@@H](N3C(=NC=N3)NC2=C)C4=CC(=C(C=C4)OC)OC
InChI: InChI=1S/C22H23N5O3/c1-13-7-5-6-8-16(13)26-21(28)19-14(2)25-22-23-12-24-27(22)20(19)15-9-10-17(29-3)18(11-15)30-4/h5-12,19-20H,2H2,1,3-4H3,(H,26,28)(H,23,24,25)/t19-,20+/m1/s1
SMILES: CC1=C(C=CC(=C1)F)S(=O)(=O)NC[C@@H]2C[C@H]3C[C@H]2C=C3
InChI: InChI=1S/C15H18FNO2S/c1-10-6-14(16)4-5-15(10)20(18,19)17-9-13-8-11-2-3-12(13)7-11/h2-6,11-13,17H,7-9H2,1H3/t11-,12-,13+/m1/s1
SMILES: C1[C@@H]([C@H](O1)C2=CC=CC=C2)C(COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)O
InChI: InChI=1S/C30H28O3/c31-28(27-21-32-29(27)23-13-5-1-6-14-23)22-33-30(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27-29,31H,21-22H2/t27-,28?,29-/m1/s1
SMILES: C1CC(CCC1O)([13CH2]CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
InChI: InChI=1S/C14H26O8/c15-7-9-10(17)11(18)12(19)13(22-9)21-6-5-14(20)3-1-8(16)2-4-14/h8-13,15-20H,1-7H2/t8?,9-,10-,11+,12-,13-,14?/m1/s1/i5+1
SMILES: CC1=C(SC2=C1C=C(C=C2)Cl)C3=NN(C(=C3)N4C(=O)[C@@H]5C[C@H]6[C@@H]7[C@H](CC=C6[C@@H]([C@@]5(C4=O)C)C8=CC(=C(C(=C8)OC)O)OC)C(=O)N(C7=O)C9=CC=CC=C9)C
InChI: InChI=1S/C42H37ClN4O7S/c1-20-26-17-22(43)11-14-32(26)55-37(20)29-19-33(45(3)44-29)47-39(50)28-18-27-24(12-13-25-34(27)40(51)46(38(25)49)23-9-7-6-8-10-23)35(42(28,2)41(47)52)21-15-30(53-4)36(48)31(16-21)54-5/h6-12,14-17,19,25,27-28,34-35,48H,13,18H2,1-5H3/t25-,27+,28-,34-,35-,42+/m0/s1
SMILES: CCCCCCCCN(CCCCCCCC)C[C@H]1[C@H]([C@H](O[C@H](O1)C2=CC=C(C=C2)C3=CC=CC=C3CN4C(=O)CC(C4=O)NC(=O)OCC5=CC=CC=C5)C6=CC=C(C=C6)CO)C
InChI: InChI=1S/C54H71N3O7/c1-4-6-8-10-12-19-33-56(34-20-13-11-9-7-5-2)37-49-40(3)51(44-27-25-41(38-58)26-28-44)64-53(63-49)45-31-29-43(30-32-45)47-24-18-17-23-46(47)36-57-50(59)35-48(52(57)60)55-54(61)62-39-42-21-15-14-16-22-42/h14-18,21-32,40,48-49,51,53,58H,4-13,19-20,33-39H2,1-3H3,(H,55,61)/t40-,48?,49+,51+,53+/m1/s1
SMILES: CC1([C@H]([C@@H]1C(=O)N/N=C/C2=C3C=CC=CC3=CC4=CC=CC=C42)C=C(Cl)Cl)C
InChI: InChI=1S/C23H20Cl2N2O/c1-23(2)19(12-20(24)25)21(23)22(28)27-26-13-18-16-9-5-3-7-14(16)11-15-8-4-6-10-17(15)18/h3-13,19,21H,1-2H3,(H,27,28)/b26-13+/t19-,21+/m0/s1
SMILES: CCOC(=O)/C=C/[C@@H]1[C@@H](OC(O1)(C)C)[C@@H]([C@H]2COC(O2)(C)C)O
InChI: InChI=1S/C16H26O7/c1-6-19-12(17)8-7-10-14(23-16(4,5)21-10)13(18)11-9-20-15(2,3)22-11/h7-8,10-11,13-14,18H,6,9H2,1-5H3/b8-7+/t10-,11-,13-,14-/m1/s1
SMILES: CN1CC[C@]23[C@@]1(CCC4=CC5=C(C=C42)OCO5)C(=C(C(=O)C3)OC)OC
InChI: InChI=1S/C20H23NO5/c1-21-7-6-19-10-14(22)17(23-2)18(24-3)20(19,21)5-4-12-8-15-16(9-13(12)19)26-11-25-15/h8-9H,4-7,10-11H2,1-3H3/t19-,20-/m1/s1
SMILES: CC12[C@H]3[C@H](C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC(=CC=C6)OC
InChI: InChI=1S/C26H21NO3/c1-26-19-12-5-3-10-17(19)21(18-11-4-6-13-20(18)26)22-23(26)25(29)27(24(22)28)15-8-7-9-16(14-15)30-2/h3-14,21-23H,1-2H3/t21?,22-,23-,26?/m0/s1
SMILES: CCC1=CC=C(C=C1)[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=CC=C4)ON2C5=CC(=CC=C5)[N+](=O)[O-]
InChI: InChI=1S/C25H21N3O5/c1-2-16-11-13-17(14-12-16)22-21-23(25(30)26(24(21)29)18-7-4-3-5-8-18)33-27(22)19-9-6-10-20(15-19)28(31)32/h3-15,21-23H,2H2,1H3/t21-,22-,23+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OC[C@@H]3[C@H]([C@@H]([C@@H](C(O3)O)O)O)O)N=[N+]=[N-]
InChI: InChI=1S/C16H24N5O12P/c1-6-3-21(16(27)18-14(6)25)10-2-7(19-20-17)8(32-10)4-30-34(28,29)31-5-9-11(22)12(23)13(24)15(26)33-9/h3,7-13,15,22-24,26H,2,4-5H2,1H3,(H,28,29)(H,18,25,27)/t7-,8+,9+,10+,11+,12-,13-,15?/m0/s1
SMILES: C[C@@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)C)[C@@H]2C1)C)C(=O)O)C(=O)OC
InChI: InChI=1S/C37H58O10/c1-32(2)23-10-13-36(6)24(34(23,4)12-11-25(32)47-29-28(41)27(40)26(39)22(19-38)46-29)9-8-20-21-18-33(3,31(44)45-7)14-16-37(21,30(42)43)17-15-35(20,36)5/h8,21-29,38-41H,9-19H2,1-7H3,(H,42,43)/t21-,22+,23-,24+,25-,26+,27-,28+,29-,33-,34-,35+,36+,37-/m0/s1
SMILES: C1C=CC[C@H]([C@H]1C(=O)NC2=C(C=CC(=C2)Cl)Cl)C(=O)O
InChI: InChI=1S/C14H13Cl2NO3/c15-8-5-6-11(16)12(7-8)17-13(18)9-3-1-2-4-10(9)14(19)20/h1-2,5-7,9-10H,3-4H2,(H,17,18)(H,19,20)/t9-,10+/m0/s1
SMILES: CCN(CC)C1=CC=C(C=C1)[C@H]2[C@H]3CCCC[C@]3(CCN2CC(=O)NC4=CC=C(C=C4)OC)O
InChI: InChI=1S/C28H39N3O3/c1-4-30(5-2)23-13-9-21(10-14-23)27-25-8-6-7-17-28(25,33)18-19-31(27)20-26(32)29-22-11-15-24(34-3)16-12-22/h9-16,25,27,33H,4-8,17-20H2,1-3H3,(H,29,32)/t25-,27+,28-/m1/s1
SMILES: C1[C@H]([C@H](O[C@H](O1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)[N+](=O)[O-])O
InChI: InChI=1S/C16H14ClNO5/c17-12-5-1-11(2-6-12)16-22-9-14(19)15(23-16)10-3-7-13(8-4-10)18(20)21/h1-8,14-16,19H,9H2/t14-,15-,16+/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O[C@H]4C[C@@H](O[C@@H]4CO)N5C=C(C(=O)NC5=O)C)C6=CC7=C(C=C6)NC(=O)NC7=O)O
InChI: InChI=1S/C33H40N6O19P2/c1-14-9-38(32(46)36-28(14)42)26-6-19(41)24(56-26)12-52-59(48,49)57-21-7-20(16-3-4-18-17(5-16)30(44)35-31(45)34-18)54-25(21)13-53-60(50,51)58-22-8-27(55-23(22)11-40)39-10-15(2)29(43)37-33(39)47/h3-5,9-10,19-27,40-41H,6-8,11-13H2,1-2H3,(H,48,49)(H,50,51)(H,36,42,46)(H,37,43,47)(H2,34,35,44,45)/t19-,20+,21-,22-,23+,24+,25+,26+,27+/m0/s1
SMILES: CCCCCCCCCCCCCCCCCCCCC(C(=O)NC(CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)N)C(C(/C=C/CCCCCCCCCCCC(C)C)O)O)O
InChI: InChI=1S/C48H94N2O9/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-26-29-32-35-41(53)47(57)50-39(37-58-48-43(49)46(56)45(55)42(36-51)59-48)44(54)40(52)34-31-28-25-22-20-17-18-21-24-27-30-33-38(2)3/h31,34,38-46,48,51-56H,4-30,32-33,35-37,49H2,1-3H3,(H,50,57)/b34-31+/t39?,40?,41?,42-,43-,44?,45-,46-,48-/m1/s1
SMILES: CCC(C)C(=O)O[C@@H]1[C@H]2[C@@]3([C@H]([C@@H](C4[C@@]2(CO3)[C@@H](CC5[C@@]4([C@@H]([C@H](C=C5C)O)O)C)OC1=O)O)O)C
InChI: InChI=1S/C25H36O9/c1-6-10(2)21(30)34-16-18-24(5)20(29)15(27)17-23(4)12(11(3)7-13(26)19(23)28)8-14(33-22(16)31)25(17,18)9-32-24/h7,10,12-20,26-29H,6,8-9H2,1-5H3/t10?,12?,13-,14+,15+,16+,17?,18-,19+,20-,23-,24+,25+/m0/s1
SMILES: C[C@]12C[C@H]3[C@]4(O3)[C@H]([C@@H]1CC[C@@]2(C(=O)CO)O)CCC5=CC(=O)C=C[C@]45C
InChI: InChI=1S/C21H26O5/c1-18-7-5-13(23)9-12(18)3-4-15-14-6-8-20(25,16(24)11-22)19(14,2)10-17-21(15,18)26-17/h5,7,9,14-15,17,22,25H,3-4,6,8,10-11H2,1-2H3/t14-,15-,17-,18-,19-,20-,21+/m0/s1
SMILES: CC(C)C[C@@H]([C@H]1[C@@H](C[C@@H](N1)C(=O)O)C=C(C)C)NC(=O)C.C(=O)(C(F)(F)F)O
InChI: InChI=1S/C16H28N2O3.C2HF3O2/c1-9(2)6-12-8-14(16(20)21)18-15(12)13(7-10(3)4)17-11(5)19;3-2(4,5)1(6)7/h6,10,12-15,18H,7-8H2,1-5H3,(H,17,19)(H,20,21);(H,6,7)/t12-,13+,14-,15-;/m1./s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)C3=CC(=CC=C3)C(=O)N)CO)C
InChI: InChI=1S/C15H19NO5/c1-15(2)20-12-10(7-17)19-11(13(12)21-15)8-4-3-5-9(6-8)14(16)18/h3-6,10-13,17H,7H2,1-2H3,(H2,16,18)/t10-,11+,12-,13+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)[C@@H](C)OC2=CC=C(C=C2)C#N
InChI: InChI=1S/C20H26N2O4/c1-13-6-4-5-7-18(13)22-19(23)14(2)26-20(24)15(3)25-17-10-8-16(12-21)9-11-17/h8-11,13-15,18H,4-7H2,1-3H3,(H,22,23)/t13-,14+,15+,18-/m0/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OC(=O)COC(=O)C2=C(C=C(C=C2)Cl)N)C(C)C
InChI: InChI=1S/C19H26ClNO4/c1-11(2)14-6-4-12(3)8-17(14)25-18(22)10-24-19(23)15-7-5-13(20)9-16(15)21/h5,7,9,11-12,14,17H,4,6,8,10,21H2,1-3H3/t12-,14+,17-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@]3([C@@H]2[C@@H](C4(CC3)OCC(CO4)(C)C)CO)C5=CC(=C(C=C5)OC)OC
InChI: InChI=1S/C29H39NO7S/c1-20-6-9-22(10-7-20)38(32,33)30-15-14-28(21-8-11-24(34-4)25(16-21)35-5)12-13-29(23(17-31)26(28)30)36-18-27(2,3)19-37-29/h6-11,16,23,26,31H,12-15,17-19H2,1-5H3/t23-,26-,28-/m0/s1