EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@]1([C@@H]2[C@H](C=[N+]1[O-])N(C2=O)C3=CC=C(C=C3)OC)C[Se]C4=CC=CC=C4
InChI: InChI=1S/C20H20N2O3Se/c1-20(13-26-16-6-4-3-5-7-16)18-17(12-21(20)24)22(19(18)23)14-8-10-15(25-2)11-9-14/h3-12,17-18H,13H2,1-2H3/t17-,18+,20+/m0/s1
SMILES: C[C@@]12CCN([C@@H]1N(C3=C2C=C(C=C3)OC(=O)N4CCC5=C(C4)C=CC(=C5)OC)C)C
InChI: InChI=1S/C24H29N3O3/c1-24-10-12-25(2)22(24)26(3)21-8-7-19(14-20(21)24)30-23(28)27-11-9-16-13-18(29-4)6-5-17(16)15-27/h5-8,13-14,22H,9-12,15H2,1-4H3/t22-,24+/m1/s1
SMILES: CC(=O)[C@H]1[C@@H]([C@@H]([C@@](CC1=O)(C)O)C(=O)C)C2=CC=C(C=C2)N(C)C
InChI: InChI=1S/C19H25NO4/c1-11(21)16-15(23)10-19(3,24)18(12(2)22)17(16)13-6-8-14(9-7-13)20(4)5/h6-9,16-18,24H,10H2,1-5H3/t16-,17+,18+,19+/m1/s1
SMILES: CC1(O[C@H]2[C@@H]([C@@H](NC(=O)[C@H]2O1)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C21H43NO5Si2/c1-19(2,3)28(9,10)24-13-14-15(27-29(11,12)20(4,5)6)16-17(18(23)22-14)26-21(7,8)25-16/h14-17H,13H2,1-12H3,(H,22,23)/t14-,15+,16-,17-/m0/s1
SMILES: C[C@@H]1C2=C(C=NC=C2)C(=O)OC[C@]3([C@@H]4[C@H]([C@H]([C@@]5([C@H]([C@H]([C@@H](C([C@]5([C@@H]4OC(=O)C)O3)(C)O)OC(=O)[C@]1(C)O)OC(=O)C)OC(=O)C)COC(=O)C6=COC=C6)OC(=O)C)OC(=O)C)C
InChI: InChI=1S/C41H47NO20/c1-18-25-10-12-42-14-26(25)35(49)54-16-37(7)27-28(56-19(2)43)32(59-22(5)46)40(17-55-34(48)24-11-13-53-15-24)33(60-23(6)47)29(57-20(3)44)31(61-36(50)38(18,8)51)39(9,52)41(40,62-37)30(27)58-21(4)45/h10-15,18,27-33,51-52H,16-17H2,1-9H3/t18-,27-,28-,29+,30-,31+,32-,33+,37+,38-,39?,40-,41+/m1/s1
SMILES: CCOC1=CC=CC=C1C2=NNC(=S)N2/N=C\C3=CC=C(O3)[C@@H]4C[C@@H]4C
InChI: InChI=1S/C19H20N4O2S/c1-3-24-16-7-5-4-6-14(16)18-21-22-19(26)23(18)20-11-13-8-9-17(25-13)15-10-12(15)2/h4-9,11-12,15H,3,10H2,1-2H3,(H,22,26)/b20-11-/t12-,15+/m0/s1
SMILES: CC1=CC=CC=C1NC(=O)COC(=O)C2=CC(=CC=C2)N3C(=O)[C@@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C24H24N2O5/c1-15-7-2-5-12-20(15)25-21(27)14-31-24(30)16-8-6-9-17(13-16)26-22(28)18-10-3-4-11-19(18)23(26)29/h2,5-9,12-13,18-19H,3-4,10-11,14H2,1H3,(H,25,27)/t18-,19+
SMILES: COC1=C(C=C2[C@H]3[C@H](CN3CCC2=C1)COC(=O)NC4=CC(=CC=C4)Cl)OC
InChI: InChI=1S/C21H23ClN2O4/c1-26-18-8-13-6-7-24-11-14(20(24)17(13)10-19(18)27-2)12-28-21(25)23-16-5-3-4-15(22)9-16/h3-5,8-10,14,20H,6-7,11-12H2,1-2H3,(H,23,25)/t14-,20-/m1/s1
SMILES: C1=CC=C2C(=C1)C=C[C@H]3N2[C@H]([C@H]4[C@@H]3C(=O)N(C4=O)C5=CC=C(C=C5)F)C(=O)N
InChI: InChI=1S/C21H16FN3O3/c22-12-6-8-13(9-7-12)24-20(27)16-15-10-5-11-3-1-2-4-14(11)25(15)18(19(23)26)17(16)21(24)28/h1-10,15-18H,(H2,23,26)/t15-,16-,17-,18-/m1/s1
SMILES: CC1=CC(=C2C(=C1C3=C(C(=C(C=C3O)OC)C(=O)C)O)C(=O)C4=C(C2=O)C(=CC=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O
InChI: InChI=1S/C36H38O18/c1-11-7-14(39)24-25(20(11)23-15(40)8-17(50-3)21(12(2)38)29(23)44)26(41)13-5-4-6-16(22(13)30(24)45)52-36-34(49)32(47)28(43)19(54-36)10-51-35-33(48)31(46)27(42)18(9-37)53-35/h4-8,18-19,27-28,31-37,39-40,42-44,46-49H,9-10H2,1-3H3/t18-,19-,27-,28-,31+,32+,33-,34-,35-,36-/m1/s1
SMILES: C1[C@H]([C@@H](CN1Cl)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3
InChI: InChI=1S/C18H16ClNO4/c19-20-11-15(23-17(21)13-7-3-1-4-8-13)16(12-20)24-18(22)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2/t15-,16-/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CCC(=O)NCC3=CC=C(C=C3)N4CCCC4=O
InChI: InChI=1S/C22H27N3O4/c26-19(11-13-25-21(28)17-4-1-2-5-18(17)22(25)29)23-14-15-7-9-16(10-8-15)24-12-3-6-20(24)27/h7-10,17-18H,1-6,11-14H2,(H,23,26)/t17-,18-/m0/s1
SMILES: C[C@H]1[C@@H]2CC3=C([C@]1(CC[NH+]2CCC#C)C)C=C(C=C3)O.[Cl-]
InChI: InChI=1S/C18H23NO.ClH/c1-4-5-9-19-10-8-18(3)13(2)17(19)11-14-6-7-15(20)12-16(14)18;/h1,6-7,12-13,17,20H,5,8-11H2,2-3H3;1H/t13-,17-,18-;/m0./s1
SMILES: CCOC(=O)[C@]1([C@@H]2[C@@H]([C@@H](N1)C3=CC=CC=C3C)C(=O)N(C2=O)C4=CC(=CC=C4)OC)C
InChI: InChI=1S/C24H26N2O5/c1-5-31-23(29)24(3)19-18(20(25-24)17-12-7-6-9-14(17)2)21(27)26(22(19)28)15-10-8-11-16(13-15)30-4/h6-13,18-20,25H,5H2,1-4H3/t18-,19+,20-,24+/m0/s1
SMILES: C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(CS2)C#N)C(=O)OCC=C)O
InChI: InChI=1S/C13H14N2O4S/c1-3-4-19-13(18)10-8(5-14)6-20-12-9(7(2)16)11(17)15(10)12/h3,7,9,12,16H,1,4,6H2,2H3/t7-,9+,12-/m1/s1
SMILES: CC12[C@H](CC[C@@]3(C1[C@@H]([C@]45C3CC[C@H](C4)C(=C)C5)C(=O)OC)COC2=O)O[Si](C)(C)C
InChI: InChI=1S/C24H36O5Si/c1-14-11-24-12-15(14)7-8-16(24)23-10-9-17(29-30(4,5)6)22(2,21(26)28-13-23)19(23)18(24)20(25)27-3/h15-19H,1,7-13H2,2-6H3/t15-,16?,17+,18-,19?,22?,23-,24+/m1/s1
SMILES: CC(C)C([C@@H]1[C@H]2[C@H]([C@H]3[C@@H](O2)C=C4[C@@]3(CCC5=C4CCC6[C@@]5(CC[C@@H](C6)O)C)C)[C@H](O1)O)(C(=O)C)O
InChI: InChI=1S/C29H42O6/c1-14(2)29(33,15(3)30)25-24-22(26(32)35-25)23-21(34-24)13-20-18-7-6-16-12-17(31)8-10-27(16,4)19(18)9-11-28(20,23)5/h13-14,16-17,21-26,31-33H,6-12H2,1-5H3/t16?,17-,21-,22-,23+,24+,25-,26-,27-,28-,29?/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@@H]5CCCN5C(=O)C(F)(F)F)CSC6=CC=C(C=C6)C(=O)O
InChI: InChI=1S/C40H39F3N2O7S/c1-24-34(23-53-31-18-16-28(17-19-31)37(48)49)51-38(52-35(24)27-10-8-25(22-46)9-11-27)29-14-12-26(13-15-29)32-6-3-2-5-30(32)21-44-36(47)33-7-4-20-45(33)39(50)40(41,42)43/h2-3,5-6,8-19,24,33-35,38,46H,4,7,20-23H2,1H3,(H,44,47)(H,48,49)/t24-,33+,34+,35+,38+/m1/s1
SMILES: C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC3=C(N=CN=C32)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)F)O
InChI: InChI=1S/C12H18FN4O12P3/c1-12(18)8(13)7(4-26-31(22,23)29-32(24,25)28-30(19,20)21)27-11(12)17-3-2-6-9(14)15-5-16-10(6)17/h2-3,5,7-8,11,18H,4H2,1H3,(H,22,23)(H,24,25)(H2,14,15,16)(H2,19,20,21)/t7-,8-,11-,12-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@]3(C=C[C@H]([C@H]3O2)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OC(=S)N6C=CN=C6
InChI: InChI=1S/C30H28N4O6S/c1-20-16-34(28(36)32-26(20)35)27-25(40-29(41)33-15-14-31-19-33)30(38-18-22-10-6-3-7-11-22)13-12-23(24(30)39-27)37-17-21-8-4-2-5-9-21/h2-16,19,23-25,27H,17-18H2,1H3,(H,32,35,36)/t23-,24-,25+,27-,30-/m1/s1
SMILES: CC1=CC=C(C=C1)[C@H]2N([C@]3([C@@](O2)(N=[N+]([N-]3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C34H28N4O/c1-26-22-24-27(25-23-26)32-37(30-18-10-4-11-19-30)33(28-14-6-2-7-15-28)34(39-32,29-16-8-3-9-17-29)36-38(35-33)31-20-12-5-13-21-31/h2-25,32H,1H3/t32-,33-,34+/m0/s1
SMILES: CCC=CC(=O)N(C[C@H]1CCCO1)[C@@H]2C=C([C@H]3[C@@H]([C@H]2O)OC4=CC=CC=C34)C(=O)NCCO
InChI: InChI=1S/C25H32N2O6/c1-2-3-10-21(29)27(15-16-7-6-13-32-16)19-14-18(25(31)26-11-12-28)22-17-8-4-5-9-20(17)33-24(22)23(19)30/h3-5,8-10,14,16,19,22-24,28,30H,2,6-7,11-13,15H2,1H3,(H,26,31)/t16-,19-,22+,23+,24+/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2O)CCC4=CC(=C(C=C34)Br)O
InChI: InChI=1S/C18H23BrO2/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-16(20)15(19)9-13(10)11/h8-9,11-12,14,17,20-21H,2-7H2,1H3/t11-,12+,14-,17?,18-/m0/s1
SMILES: CCOC1=CC=CC=C1[C@H]2[C@@H](C(=O)NC(=C2C#N)SCC(=O)N)C(=O)OCC
InChI: InChI=1S/C19H21N3O5S/c1-3-26-13-8-6-5-7-11(13)15-12(9-20)18(28-10-14(21)23)22-17(24)16(15)19(25)27-4-2/h5-8,15-16H,3-4,10H2,1-2H3,(H2,21,23)(H,22,24)/t15-,16+/m1/s1
SMILES: COC1=C(C=C2CN(CCC2=C1)C(=O)[C@@H]3[C@H]4C(=O)O[C@@H]([C@@H](N4[C@@H]([C@]35C6=C(C=CC(=C6)C#CCC(C(=O)OC)C(=O)OC)NC5=O)C7=CC=C(C=C7)O)C8=CC=CC=C8)C9=CC=CC=C9)OC
InChI: InChI=1S/C52H47N3O11/c1-62-40-27-34-24-25-54(29-35(34)28-41(40)63-2)47(57)42-44-50(60)66-45(32-15-9-6-10-16-32)43(31-13-7-5-8-14-31)55(44)46(33-19-21-36(56)22-20-33)52(42)38-26-30(18-23-39(38)53-51(52)61)12-11-17-37(48(58)64-3)49(59)65-4/h5-10,13-16,18-23,26-28,37,42-46,56H,17,24-25,29H2,1-4H3,(H,53,61)/t42-,43-,44-,45+,46+,52-/m0/s1
SMILES: C[C@@]12C=C[C@@H](O1)[C@@H]3[C@@H]2C(=O)N(C3=O)C4=CC=CC5=CC=CC=C54
InChI: InChI=1S/C19H15NO3/c1-19-10-9-14(23-19)15-16(19)18(22)20(17(15)21)13-8-4-6-11-5-2-3-7-12(11)13/h2-10,14-16H,1H3/t14-,15-,16-,19+/m1/s1
SMILES: CC(C)CN1C(=O)N(C(=O)C12CC3CCC(C2)N3C[C@H]4CN(C[C@@H]4C5=CC=CC=C5)C(=O)CC(C)(C)C)C
InChI: InChI=1S/C31H46N4O3/c1-21(2)17-35-29(38)32(6)28(37)31(35)14-24-12-13-25(15-31)34(24)19-23-18-33(27(36)16-30(3,4)5)20-26(23)22-10-8-7-9-11-22/h7-11,21,23-26H,12-20H2,1-6H3/t23-,24?,25?,26-,31?/m1/s1
SMILES: C1C[C@H]([C@@H](C1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3
InChI: InChI=1S/C19H18O4/c20-18(14-8-3-1-4-9-14)22-16-12-7-13-17(16)23-19(21)15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2/t16-,17-/m1/s1
SMILES: CC1=CC(=O)CC(C1CCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)(C)C
InChI: InChI=1S/C17H28O7/c1-9-6-10(19)7-17(2,3)11(9)4-5-23-16-15(22)14(21)13(20)12(8-18)24-16/h6,11-16,18,20-22H,4-5,7-8H2,1-3H3/t11?,12-,13-,14+,15-,16-/m1/s1
SMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)OC
InChI: InChI=1S/C24H26O11/c1-30-12-7-17-20(18(8-12)34-24-23(29)22(28)21(27)19(10-25)35-24)13(26)9-15(33-17)11-4-5-14(31-2)16(6-11)32-3/h4-9,19,21-25,27-29H,10H2,1-3H3/t19-,21-,22+,23-,24-/m1/s1
SMILES: CN(C)C1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)N[14C](=O)[14C@H]([14CH2][14C]4=[14CH][14CH]=[14C]([14CH]=[14CH]4)OC)N)O
InChI: InChI=1S/C22H29N7O5/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32)/t14-,15+,16+,18+,22+/m0/s1/i4+2,5+2,6+2,7+2,8+2,12+2,13+2,14+2,21+2
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4
InChI: InChI=1S/C29H33NO7/c1-33-28-25(30-29(32)36-19-23-15-9-4-10-16-23)27(35-18-22-13-7-3-8-14-22)26(31)24(37-28)20-34-17-21-11-5-2-6-12-21/h2-16,24-28,31H,17-20H2,1H3,(H,30,32)/t24-,25-,26-,27-,28+/m1/s1
SMILES: CC1=CC=C(C=C1)NC(=O)CN2CC[C@@]3(CCCC[C@@H]3[C@@H]2C4=CC=C(C=C4)OC)O
InChI: InChI=1S/C25H32N2O3/c1-18-6-10-20(11-7-18)26-23(28)17-27-16-15-25(29)14-4-3-5-22(25)24(27)19-8-12-21(30-2)13-9-19/h6-13,22,24,29H,3-5,14-17H2,1-2H3,(H,26,28)/t22-,24+,25-/m1/s1
SMILES: C1[C@H]2[C@@H](C3=C(O1)C=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC5=CC6=C(C=C25)OCO6
InChI: InChI=1S/C22H22O10/c23-6-17-18(24)19(25)20(26)22(32-17)30-9-1-2-10-13(3-9)27-7-12-11-4-15-16(29-8-28-15)5-14(11)31-21(10)12/h1-5,12,17-26H,6-8H2/t12-,17-,18-,19+,20-,21-,22-/m1/s1
SMILES: CC1=C2CCC[C@@H]([C@]2(C/C(=C\C3=CC(=CS3)Cl)/C1=O)C)O
InChI: InChI=1S/C17H19ClO2S/c1-10-14-4-3-5-15(19)17(14,2)8-11(16(10)20)6-13-7-12(18)9-21-13/h6-7,9,15,19H,3-5,8H2,1-2H3/b11-6+/t15-,17-/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)NS(=O)(=O)C4=CC=CC=C4)CN5CCC6=CC(=C(C=C6C5)OC)OC
InChI: InChI=1S/C36H40N2O7S/c1-24-34(22-38-17-16-27-19-32(42-2)33(43-3)20-29(27)21-38)44-36(45-35(24)26-14-12-25(23-39)13-15-26)28-8-7-9-30(18-28)37-46(40,41)31-10-5-4-6-11-31/h4-15,18-20,24,34-37,39H,16-17,21-23H2,1-3H3/t24-,34+,35+,36+/m1/s1
SMILES: CC1(O[C@H]2[C@@H]3[C@@H]([C@@H](C(=O)O3)O)O[C@H]2O1)C
InChI: InChI=1S/C9H12O6/c1-9(2)14-6-5-4(13-8(6)15-9)3(10)7(11)12-5/h3-6,8,10H,1-2H3/t3-,4+,5-,6-,8-/m0/s1
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CCC(=O)NCCC3=CC=C(C=C3)F
InChI: InChI=1S/C19H23FN2O3/c20-14-7-5-13(6-8-14)9-11-21-17(23)10-12-22-18(24)15-3-1-2-4-16(15)19(22)25/h5-8,15-16H,1-4,9-12H2,(H,21,23)/t15-,16-/m0/s1
SMILES: C1CC[C@@H]2[C@H](C1)C3=CCCC[C@@H]3[C@H](O2)C4=CC=CC=C4OCC(=O)[O-]
InChI: InChI=1S/C21H26O4/c22-20(23)13-24-18-11-5-4-10-17(18)21-16-9-2-1-7-14(16)15-8-3-6-12-19(15)25-21/h4-5,7,10-11,15-16,19,21H,1-3,6,8-9,12-13H2,(H,22,23)/p-1/t15-,16+,19-,21+/m1/s1
SMILES: COC(=O)C1=CN(N=N1)[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)CCC(=O)[O-]
InChI: InChI=1S/C14H18N4O7/c1-23-14(22)7-4-18(17-16-7)9-6-25-12-8(5-24-13(9)12)15-10(19)2-3-11(20)21/h4,8-9,12-13H,2-3,5-6H2,1H3,(H,15,19)(H,20,21)/p-1/t8-,9-,12+,13+/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2
InChI: InChI=1S/C19H24N2O3S/c1-13-6-2-3-7-14(13)20-17(22)12-24-19(23)11-10-18-21-15-8-4-5-9-16(15)25-18/h4-5,8-9,13-14H,2-3,6-7,10-12H2,1H3,(H,20,22)/t13-,14+/m1/s1
SMILES: CCCCCOC(=O)CN1C(=O)[C@@H]2[C@H](C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35
InChI: InChI=1S/C25H25NO4/c1-2-3-8-13-30-19(27)14-26-24(28)22-20-15-9-4-5-10-16(15)21(23(22)25(26)29)18-12-7-6-11-17(18)20/h4-7,9-12,20-23H,2-3,8,13-14H2,1H3/t20?,21?,22-,23+
SMILES: CCC(=O)O[C@@H]1[C@@H](C=CC(=O)[C@H]1OC(=O)CC)OC(=O)C
InChI: InChI=1S/C14H18O7/c1-4-11(17)20-13-9(16)6-7-10(19-8(3)15)14(13)21-12(18)5-2/h6-7,10,13-14H,4-5H2,1-3H3/t10-,13-,14-/m1/s1
SMILES: C1C[C@@H]2[C@@H](N(N=C2/C(=C\C3=CC=CO3)/C1)C(=O)C4=CC=CC=N4)C5=CC=CO5
InChI: InChI=1S/C22H19N3O3/c26-22(18-9-1-2-11-23-18)25-21(19-10-5-13-28-19)17-8-3-6-15(20(17)24-25)14-16-7-4-12-27-16/h1-2,4-5,7,9-14,17,21H,3,6,8H2/b15-14-/t17-,21+/m0/s1
SMILES: C[C@@H]1C[C@@]2(CC[C@H]3[C@@H](C=C[C@H]([C@@]3([C@H]2[C@@H]([C@@H]1O)O)C)O)C)CO[Si](C(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C27H50O4Si/c1-16(2)32(17(3)4,18(5)6)31-15-27-13-12-21-19(7)10-11-22(28)26(21,9)25(27)24(30)23(29)20(8)14-27/h10-11,16-25,28-30H,12-15H2,1-9H3/t19-,20-,21+,22-,23-,24-,25-,26-,27+/m1/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)OC(=O)N)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C35H37NO7/c36-35(37)43-34-33(41-24-29-19-11-4-12-20-29)32(40-23-28-17-9-3-10-18-28)31(39-22-27-15-7-2-8-16-27)30(42-34)25-38-21-26-13-5-1-6-14-26/h1-20,30-34H,21-25H2,(H2,36,37)/t30-,31-,32+,33-,34-/m1/s1
SMILES: C[C@]1\2CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC/C2=C\C#N
InChI: InChI=1S/C20H23NO/c1-20-10-8-17-16-6-4-15(22)12-13(16)2-5-18(17)19(20)7-3-14(20)9-11-21/h9,12,18-19H,2-8,10H2,1H3/b14-9+/t18-,19+,20-/m1/s1
SMILES: C1[C@@H]([C@@H]([C@H]([C@@H]1F)C/C=C\CCCC(=O)O)/C=C/[C@H](COC2=CC=CC=C2)O)O
InChI: InChI=1S/C22H29FO5/c23-20-14-21(25)19(18(20)10-6-1-2-7-11-22(26)27)13-12-16(24)15-28-17-8-4-3-5-9-17/h1,3-6,8-9,12-13,16,18-21,24-25H,2,7,10-11,14-15H2,(H,26,27)/b6-1-,13-12+/t16-,18-,19-,20-,21+/m1/s1
SMILES: COC(=O)[C@@H]1[C@H]([C@H]2[C@@H]([C@]3([C@@H]1[C@@H]([C@@]23Cl)Cl)Cl)Cl)C(=O)OC
InChI: InChI=1S/C12H12Cl4O4/c1-19-9(17)3-4(10(18)20-2)6-8(14)11(15)5(3)7(13)12(6,11)16/h3-8H,1-2H3/t3-,4-,5+,6+,7+,8+,11+,12+/m1/s1
SMILES: CCOC(=O)[C@H]1[C@H](N1C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C17H16N2O4/c1-2-23-17(20)16-15(18(16)13-6-4-3-5-7-13)12-8-10-14(11-9-12)19(21)22/h3-11,15-16H,2H2,1H3/t15-,16-,18?/m1/s1
SMILES: CN1C(=O)C2([C@@H]([C@H](C1(O2)C3=CC=CC=C3)C(=O)OC)C(=O)OC)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C22H20N2O8/c1-23-20(27)21(13-9-11-15(12-10-13)24(28)29)16(18(25)30-2)17(19(26)31-3)22(23,32-21)14-7-5-4-6-8-14/h4-12,16-17H,1-3H3/t16-,17-,21?,22?/m0/s1
SMILES: C[C@H](CC(=O)C=C(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CCC5[C@]3(C4)CC[C@@H]([C@@]5(C)CO)OS(=O)(=O)O)C)C
InChI: InChI=1S/C30H48O6S/c1-19(2)15-21(32)16-20(3)22-9-11-28(6)24-8-7-23-26(4,18-31)25(36-37(33,34)35)10-12-29(23)17-30(24,29)14-13-27(22,28)5/h15,20,22-25,31H,7-14,16-18H2,1-6H3,(H,33,34,35)/t20-,22-,23?,24+,25+,26+,27-,28+,29-,30+/m1/s1
SMILES: C1CCCC2=C(CC1)C=C(C(=S)N2[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)C#N
InChI: InChI=1S/C18H24N2O5S/c19-8-11-7-10-5-3-1-2-4-6-12(10)20(18(11)26)17-16(24)15(23)14(22)13(9-21)25-17/h7,13-17,21-24H,1-6,9H2/t13-,14+,15+,16-,17-/m1/s1
SMILES: COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=O)S2)CCNC(=O)[C@@H]3C[C@H]4C[C@H]3C=C4
InChI: InChI=1S/C21H22N2O4S/c1-27-16-6-3-13(4-7-16)12-18-20(25)23(21(26)28-18)9-8-22-19(24)17-11-14-2-5-15(17)10-14/h2-7,12,14-15,17H,8-11H2,1H3,(H,22,24)/b18-12-/t14-,15-,17-/m1/s1
SMILES: C[C@@H]1C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)OC4CCC(C(O4)C)N(C)C
InChI: InChI=1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+/t24-,25-,26?,27?,28?,29+,30?,31-,32+,34?,35?,36?,37?,38?,39+,40+,41?,42?,43?/m1/s1
SMILES: CC1(C[C@H]([C@H]([C@]2(C1)OCC3=C(O2)C=CC(=C3)C4=CC=CC=C4C(=O)O)OC(=O)N)O)C
InChI: InChI=1S/C23H25NO7/c1-22(2)10-17(25)19(30-21(24)28)23(12-22)29-11-14-9-13(7-8-18(14)31-23)15-5-3-4-6-16(15)20(26)27/h3-9,17,19,25H,10-12H2,1-2H3,(H2,24,28)(H,26,27)/t17-,19-,23-/m1/s1
SMILES: C[C@H]1[C@H](OC(O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CNS(=O)(=O)C4=CC=CC=C4)CN5CCC(CC5)N6C7=CC=CC=C7NC6=O
InChI: InChI=1S/C38H42N4O6S/c1-26-35(24-41-21-19-31(20-22-41)42-34-10-6-5-9-33(34)40-38(42)44)47-37(48-36(26)29-15-13-28(25-43)14-16-29)30-17-11-27(12-18-30)23-39-49(45,46)32-7-3-2-4-8-32/h2-18,26,31,35-37,39,43H,19-25H2,1H3,(H,40,44)/t26-,35+,36+,37?/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)N4C(=O)CC(C4=O)NC(=O)OCC5=CC=CC=C5)CSC6=NN=CN6C
InChI: InChI=1S/C34H35N5O7S/c1-21-28(19-47-33-37-35-20-38(33)2)45-32(46-30(21)24-13-11-22(17-40)12-14-24)25-9-6-10-26(15-25)39-29(41)16-27(31(39)42)36-34(43)44-18-23-7-4-3-5-8-23/h3-15,20-21,27-28,30,32,40H,16-19H2,1-2H3,(H,36,43)/t21-,27?,28+,30+,32+/m1/s1
SMILES: C/C=C\C1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CC4=C(C=C3)N=C(S4)N)N)SC1)C(=O)O
InChI: InChI=1S/C19H19N5O4S2/c1-2-3-9-7-29-17-13(16(26)24(17)14(9)18(27)28)23-15(25)12(20)8-4-5-10-11(6-8)30-19(21)22-10/h2-6,12-13,17H,7,20H2,1H3,(H2,21,22)(H,23,25)(H,27,28)/b3-2-/t12-,13-,17-/m1/s1
SMILES: CN1C[C@H]2[C@@H](C1=O)[C@@H](ON2C)C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C13H15N3O4/c1-14-7-10-11(13(14)17)12(20-15(10)2)8-3-5-9(6-4-8)16(18)19/h3-6,10-12H,7H2,1-2H3/t10-,11+,12-/m0/s1
SMILES: CC1=C2[C@H](C(=O)[C@]3(C/C(=C\[C@@H]([C@@H](C2(C)C)C[C@@H]1OC(=O)C)OC(=O)C)/[C@H](C[C@@H]3OC(=O)C)OC(=O)/C=C/C4=CC=CC=C4)C)O
InChI: InChI=1S/C35H42O10/c1-19-26(42-20(2)36)16-25-28(43-21(3)37)15-24-18-35(7,33(41)32(40)31(19)34(25,5)6)29(44-22(4)38)17-27(24)45-30(39)14-13-23-11-9-8-10-12-23/h8-15,25-29,32,40H,16-18H2,1-7H3/b14-13+,24-15+/t25-,26-,27-,28-,29-,32+,35-/m0/s1
SMILES: CC1([C@@H]([C@@H]1C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C=C(Cl)Cl)C
InChI: InChI=1S/C19H24Cl2N2O/c1-19(2)15(12-16(20)21)17(19)18(24)23-10-8-22(9-11-23)13-14-6-4-3-5-7-14/h3-7,12,15,17H,8-11,13H2,1-2H3/p+1/t15-,17-/m1/s1
SMILES: C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)N=[N+]=[N-])C)N)N)C.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O
InChI: InChI=1S/C25H43N5O2.2C2HF3O2/c1-14(5-8-22(31)32-4)17-6-7-18-23-19(13-21(27)25(17,18)3)24(2)10-9-16(29-30-28)11-15(24)12-20(23)26;2*3-2(4,5)1(6)7/h14-21,23H,5-13,26-27H2,1-4H3;2*(H,6,7)/t14-,15+,16-,17-,18+,19+,20-,21+,23+,24+,25-;;/m1../s1
SMILES: C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)CSC2=NN=C(N2C3CC3)C
InChI: InChI=1S/C16H26N4OS/c1-10-5-4-6-14(11(10)2)17-15(21)9-22-16-19-18-12(3)20(16)13-7-8-13/h10-11,13-14H,4-9H2,1-3H3,(H,17,21)/t10-,11+,14+/m1/s1
SMILES: C1CC[C@@H]2[C@@H](C1)C[C@@H](N2C(=O)C3=CC=CC=C3)C(=O)O
InChI: InChI=1S/C16H19NO3/c18-15(11-6-2-1-3-7-11)17-13-9-5-4-8-12(13)10-14(17)16(19)20/h1-3,6-7,12-14H,4-5,8-10H2,(H,19,20)/t12-,13+,14+/m0/s1
SMILES: CC1(C(=O)[C@@H]([C@@H](OC1=O)C2=CC=C(C=C2)Br)CC(=O)OC)C
InChI: InChI=1S/C16H17BrO5/c1-16(2)14(19)11(8-12(18)21-3)13(22-15(16)20)9-4-6-10(17)7-5-9/h4-7,11,13H,8H2,1-3H3/t11-,13+/m1/s1
SMILES: C[C@H](CC#N)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C
InChI: InChI=1S/C35H61NO2Si2/c1-25(20-22-36)30-18-19-31-27(15-14-21-35(30,31)9)16-17-28-23-29(37-39(10,11)33(3,4)5)24-32(26(28)2)38-40(12,13)34(6,7)8/h16-17,25,29-32H,2,14-15,18-21,23-24H2,1,3-13H3/b27-16+,28-17-/t25-,29-,30-,31+,32+,35-/m1/s1
SMILES: CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C22H26N2O6/c1-3-19(26)23-15-10-8-14(9-11-15)18(25)12-30-22(29)13(2)24-20(27)16-6-4-5-7-17(16)21(24)28/h8-11,13,16-17H,3-7,12H2,1-2H3,(H,23,26)/t13-,16-,17+/m0/s1
SMILES: CC(C)(C)C1=CC(=C(C=C1)OC)CN[C@H]2CCN[C@H]2C3=CC(=CC=C3)Cl
InChI: InChI=1S/C22H29ClN2O/c1-22(2,3)17-8-9-20(26-4)16(12-17)14-25-19-10-11-24-21(19)15-6-5-7-18(23)13-15/h5-9,12-13,19,21,24-25H,10-11,14H2,1-4H3/t19-,21-/m0/s1
SMILES: C[C@@]12C[C@@]1(N(C(=O)N2[N+](=O)[O-])[N+](=O)[O-])C
InChI: InChI=1S/C6H8N4O5/c1-5-3-6(5,2)8(10(14)15)4(11)7(5)9(12)13/h3H2,1-2H3/t5-,6+
SMILES: C[C@@H]1C[C@@H]([C@H](C(O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)O)N(C)C
InChI: InChI=1S/C18H31N3O13P2/c1-9-7-21(18(25)19-16(9)24)14-6-12(22)13(32-14)8-30-35(26,27)34-36(28,29)33-17-15(23)11(20(3)4)5-10(2)31-17/h7,10-15,17,22-23H,5-6,8H2,1-4H3,(H,26,27)(H,28,29)(H,19,24,25)/t10-,11+,12-,13-,14-,15-,17?/m1/s1
SMILES: C[C@@H]1[C@@H]2C[N+]3(CCCC3)CC2=CC4=C1C=CC5=CC=CC=C54
InChI: InChI=1S/C21H24N/c1-15-18-9-8-16-6-2-3-7-19(16)20(18)12-17-13-22(14-21(15)17)10-4-5-11-22/h2-3,6-9,12,15,21H,4-5,10-11,13-14H2,1H3/q+1/t15-,21-/m0/s1
SMILES: C1C(=C(N2[C@H](S1=O)[C@@H](C2=O)NC(=O)CC3=CC=CS3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)COC(=O)OC6=C(C=CC(=C6)Cl)OC7=C(C=C(C=C7)Cl)Cl
InChI: InChI=1S/C40H29Cl3N2O9S2/c41-26-13-15-30(29(43)18-26)52-31-16-14-27(42)19-32(31)53-40(49)51-21-25-22-56(50)38-34(44-33(46)20-28-12-7-17-55-28)37(47)45(38)35(25)39(48)54-36(23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-19,34,36,38H,20-22H2,(H,44,46)/t34-,38-,56?/m1/s1
SMILES: CCC1=CC(=CN(C1=O)C)C2=N[C@H]([C@](N2)(C3=CC=C(C=C3)F)C4=CC(=NC=C4)F)C
InChI: InChI=1S/C23H22F2N4O/c1-4-15-11-16(13-29(3)22(15)30)21-27-14(2)23(28-21,17-5-7-19(24)8-6-17)18-9-10-26-20(25)12-18/h5-14H,4H2,1-3H3,(H,27,28)/t14-,23-/m0/s1
SMILES: CC(C)C[C@H]1C(=O)N[C@H](C(=O)N[C@H]2CC3=C(NC4=C3C=CC(=C4)[C@@H]([C@@H](C(=O)N1)NC(=O)[C@@H]5CCC(=O)N5)C(C)C)N6C=C(C[C@@H](NC(=O)CNC(=O)[C@@H](NC2=O)CCCN=C(N)N)C(=O)O)N=C6)C(C)C
InChI: InChI=1S/C47H66N14O10/c1-21(2)14-31-43(67)59-37(23(5)6)44(68)58-32-17-27-26-10-9-24(36(22(3)4)38(45(69)57-31)60-41(65)29-11-12-34(62)53-29)15-30(26)55-39(27)61-19-25(52-20-61)16-33(46(70)71)54-35(63)18-51-40(64)28(56-42(32)66)8-7-13-50-47(48)49/h9-10,15,19-23,28-29,31-33,36-38,55H,7-8,11-14,16-18H2,1-6H3,(H,51,64)(H,53,62)(H,54,63)(H,56,66)(H,57,69)(H,58,68)(H,59,67)(H,60,65)(H,70,71)(H4,48,49,50)/t28-,29-,31-,32-,33+,36-,37-,38-/m0/s1
SMILES: CC(CC(=O)CCCC1=CNC2=CC=CC=C21)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)OP(=O)(O)O)O
InChI: InChI=1S/C36H53N8O17P3S/c1-21(15-23(45)8-6-7-22-16-40-25-10-5-4-9-24(22)25)65-14-13-38-27(46)11-12-39-34(49)31(48)36(2,3)18-58-64(55,56)61-63(53,54)57-17-26-30(60-62(50,51)52)29(47)35(59-26)44-20-43-28-32(37)41-19-42-33(28)44/h4-5,9-10,16,19-21,26,29-31,35,40,47-48H,6-8,11-15,17-18H2,1-3H3,(H,38,46)(H,39,49)(H,53,54)(H,55,56)(H2,37,41,42)(H2,50,51,52)/t21?,26-,29-,30-,31+,35-/m1/s1
SMILES: CCOC(=O)C1=NN[C@H]2[C@H]1C(=O)N(C2=O)C3=CC(=C(C=C3)C)Cl
InChI: InChI=1S/C15H14ClN3O4/c1-3-23-15(22)12-10-11(17-18-12)14(21)19(13(10)20)8-5-4-7(2)9(16)6-8/h4-6,10-11,17H,3H2,1-2H3/t10-,11+/m1/s1
SMILES: CCOC1=CC(=NC2=CC=CC=C2)[C@@H]3[C@H]1CCC3.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W]
InChI: InChI=1S/C16H19NO.5CO.W/c1-2-18-16-11-15(13-9-6-10-14(13)16)17-12-7-4-3-5-8-12;5*1-2;/h3-5,7-8,11,13-14H,2,6,9-10H2,1H3;;;;;;/t13-,14+;;;;;;/m0....../s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=S)N/N=C\C2=CC(=C(C(=C2)OC)OCC(=O)N)OC
InChI: InChI=1S/C19H28N4O4S/c1-12-6-4-5-7-14(12)22-19(28)23-21-10-13-8-15(25-2)18(16(9-13)26-3)27-11-17(20)24/h8-10,12,14H,4-7,11H2,1-3H3,(H2,20,24)(H2,22,23,28)/b21-10-/t12-,14+/m1/s1
SMILES: C1=CC(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O
InChI: InChI=1S/C19H18O9/c20-7-13-16(23)17(24)18(25)19(28-13)26-8-4-5-11-9(6-8)15(22)14-10(21)2-1-3-12(14)27-11/h1-6,13,16-21,23-25H,7H2/t13-,16-,17+,18-,19-/m1/s1
SMILES: CCOC(=O)CNC(=O)NC1=CC=C(C=C1)[C@H]2O[C@H]([C@H]([C@H](O2)C3=CC=C(C=C3)CO)C)CN(C)C[C@H](C4=CC(=CC=C4)O)O
InChI: InChI=1S/C33H41N3O8/c1-4-42-30(40)17-34-33(41)35-26-14-12-24(13-15-26)32-43-29(19-36(3)18-28(39)25-6-5-7-27(38)16-25)21(2)31(44-32)23-10-8-22(20-37)9-11-23/h5-16,21,28-29,31-32,37-39H,4,17-20H2,1-3H3,(H2,34,35,41)/t21-,28-,29+,31+,32+/m1/s1
SMILES: C/C=C/1\CCC2[C@]1(CCC([C@@H]2NC)[C@]3(CC[C@@H](C[C@@H]3CO)O)C)C
InChI: InChI=1S/C21H37NO2/c1-5-14-6-7-17-19(22-4)18(9-11-20(14,17)2)21(3)10-8-16(24)12-15(21)13-23/h5,15-19,22-24H,6-13H2,1-4H3/b14-5+/t15-,16+,17?,18?,19-,20+,21+/m1/s1
SMILES: CN1CC[C@H]2[C@H](C1)CCCC2NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C17H23N3O3/c1-19-10-9-15-13(11-19)3-2-4-16(15)18-17(21)12-5-7-14(8-6-12)20(22)23/h5-8,13,15-16H,2-4,9-11H2,1H3,(H,18,21)/t13-,15-,16?/m0/s1
SMILES: CCC1=CC=C(C=C1)N2C[C@@]34C=C[C@@H](O3)[C@@H]([C@H]4C2=O)C(=O)[O-]
InChI: InChI=1S/C17H17NO4/c1-2-10-3-5-11(6-4-10)18-9-17-8-7-12(22-17)13(16(20)21)14(17)15(18)19/h3-8,12-14H,2,9H2,1H3,(H,20,21)/p-1/t12-,13+,14+,17-/m1/s1
SMILES: C[C@@H]1[C@H]([C@H]([C@H](O1)N2C3=CC(=C(C=C3N=C2Cl)Cl)Cl)O)O
InChI: InChI=1S/C12H11Cl3N2O3/c1-4-9(18)10(19)11(20-4)17-8-3-6(14)5(13)2-7(8)16-12(17)15/h2-4,9-11,18-19H,1H3/t4-,9-,10-,11+/m1/s1
SMILES: CCOC1=C(C=CC(=C1)C(=O)N2[C@H]([C@H](C[C@@]2(CC(C)C)C(=O)O)C3=NC=CN=C3)C4=NC=CS4)C(C)(C)C
InChI: InChI=1S/C29H36N4O4S/c1-7-37-23-14-19(8-9-21(23)28(4,5)6)26(34)33-24(25-32-12-13-38-25)20(22-17-30-10-11-31-22)16-29(33,27(35)36)15-18(2)3/h8-14,17-18,20,24H,7,15-16H2,1-6H3,(H,35,36)/t20-,24-,29+/m1/s1