EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(=O)OC[C@H]([C@@H]1[C@@H]([C@@H]2[C@H](O1)N(C3=C4C(=C(C(=O)N23)C5=CC=CC=C5)C(=O)N(C4=O)C6=CC=CC=C6)C7=CC=CC=C7)OC(=O)C)OC(=O)C
InChI: InChI=1S/C37H31N3O10/c1-20(41)47-19-26(48-21(2)42)31-32(49-22(3)43)30-37(50-31)38(24-15-9-5-10-16-24)33-29-28(27(34(44)40(30)33)23-13-7-4-8-14-23)35(45)39(36(29)46)25-17-11-6-12-18-25/h4-18,26,30-32,37H,19H2,1-3H3/t26-,30-,31-,32-,37+/m1/s1
SMILES: CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COCC2=CC=CC=C2)O)OC(=O)C3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C28H30O7/c1-31-28-26(33-18-21-13-7-3-8-14-21)25(35-27(30)22-15-9-4-10-16-22)24(29)23(34-28)19-32-17-20-11-5-2-6-12-20/h2-16,23-26,28-29H,17-19H2,1H3/t23-,24+,25+,26-,28-/m1/s1
SMILES: C1CC[C@H]2[C@@H](C1)CCCN2C(=O)CSC3=NN=C4N3C=C(C=C4Cl)Cl
InChI: InChI=1S/C17H20Cl2N4OS/c18-12-8-13(19)16-20-21-17(23(16)9-12)25-10-15(24)22-7-3-5-11-4-1-2-6-14(11)22/h8-9,11,14H,1-7,10H2/t11-,14-/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@H]2[C@H](C(=O)N2C3=CC=C(C=C3)OC)OC4=CC=CC=C4[N+](=O)[O-])C
InChI: InChI=1S/C21H22N2O7/c1-21(2)28-12-17(30-21)18-19(29-16-7-5-4-6-15(16)23(25)26)20(24)22(18)13-8-10-14(27-3)11-9-13/h4-11,17-19H,12H2,1-3H3/t17-,18+,19-/m1/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=C(C=C4)OCC5=CC=CC=C5)O)Cl)C6=CC=C(C=C6)F)Cl)[C@@H]7[C@H]1C(=O)N(C7=O)CCC(=O)O
InChI: InChI=1S/C36H29Cl2FN2O8/c37-35-17-26-23(12-13-25-29(26)32(46)40(31(25)45)15-14-28(43)44)30(24-11-10-22(16-27(24)42)49-18-19-4-2-1-3-5-19)36(35,38)34(48)41(33(35)47)21-8-6-20(39)7-9-21/h1-12,16,25-26,29-30,42H,13-15,17-18H2,(H,43,44)/t25-,26+,29-,30+,35+,36-/m0/s1
SMILES: CC(C)(C)C(=O)OC[C@@H]1[C@H]([C@@H](O[C@@H]1C2=CC3=C(C=C2)OCO3)C4=CC(=C(C=C4)OC)OC)COC(=O)C(C)(C)C
InChI: InChI=1S/C31H40O9/c1-30(2,3)28(32)36-15-20-21(16-37-29(33)31(4,5)6)27(19-10-12-23-25(14-19)39-17-38-23)40-26(20)18-9-11-22(34-7)24(13-18)35-8/h9-14,20-21,26-27H,15-17H2,1-8H3/t20-,21-,26+,27-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3CCC(=O)C4.C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O
InChI: InChI=1S/C28H27NO4S.C20H26O2/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29;1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h4-13,18,30-31H,1-3,14-17H2;1,16-18,22H,4-12H2,2H3/t;16-,17-,18+,19+,20+/m.1/s1
SMILES: CCOC(=O)COC1=C(C(=C(C(=C1C/C=C(\C)/C=C/[C@]2([C@@H](CCC(=O)[C@@H]2C)C)C)OC)C=O)C)Cl
InChI: InChI=1S/C28H37ClO6/c1-8-34-24(32)16-35-27-21(26(33-7)22(15-30)19(4)25(27)29)11-9-17(2)13-14-28(6)18(3)10-12-23(31)20(28)5/h9,13-15,18,20H,8,10-12,16H2,1-7H3/b14-13+,17-9+/t18-,20+,28+/m1/s1
SMILES: C[C@H](/C=C/[C@H]([C@H]1[C@@H](OC(O1)(C)C)CO[Si](C)(C)C(C)(C)C)NC(=O)C(F)(F)F)OCOCC2=CC=CC=C2
InChI: InChI=1S/C27H42F3NO6Si/c1-19(34-18-33-16-20-12-10-9-11-13-20)14-15-21(31-24(32)27(28,29)30)23-22(36-26(5,6)37-23)17-35-38(7,8)25(2,3)4/h9-15,19,21-23H,16-18H2,1-8H3,(H,31,32)/b15-14+/t19-,21-,22+,23+/m1/s1
SMILES: C1CC[C@@H]([C@@H](C1)C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)[O-]
InChI: InChI=1S/C20H21NO4/c22-19(17-8-4-5-9-18(17)20(23)24)21-14-10-12-16(13-11-14)25-15-6-2-1-3-7-15/h1-3,6-7,10-13,17-18H,4-5,8-9H2,(H,21,22)(H,23,24)/p-1/t17-,18+/m1/s1
SMILES: CC(C)C[C@@H](C(=O)C1=NNC(=O)O1)NC(=O)[C@@H]2CCCC[C@@H]2NC(=O)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C22H27ClN4O5/c1-12(2)11-17(18(28)21-26-27-22(31)32-21)25-20(30)15-5-3-4-6-16(15)24-19(29)13-7-9-14(23)10-8-13/h7-10,12,15-17H,3-6,11H2,1-2H3,(H,24,29)(H,25,30)(H,27,31)/t15-,16+,17+/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC=C4CNC(=O)[C@@H]5CCCN5C(=O)C(F)(F)F)CSC6=NN=NN6C
InChI: InChI=1S/C35H37F3N6O5S/c1-21-29(20-50-34-40-41-42-43(34)2)48-32(49-30(21)24-11-9-22(19-45)10-12-24)25-15-13-23(14-16-25)27-7-4-3-6-26(27)18-39-31(46)28-8-5-17-44(28)33(47)35(36,37)38/h3-4,6-7,9-16,21,28-30,32,45H,5,8,17-20H2,1-2H3,(H,39,46)/t21-,28-,29+,30+,32+/m0/s1
SMILES: CC1=C2C(=C(C=C1)[N+](=O)[O-])[C@H]3C=CC[C@H]3[C@@H](N2)C4=CC=C(C=C4)C(=O)O
InChI: InChI=1S/C20H18N2O4/c1-11-5-10-16(22(25)26)17-14-3-2-4-15(14)19(21-18(11)17)12-6-8-13(9-7-12)20(23)24/h2-3,5-10,14-15,19,21H,4H2,1H3,(H,23,24)/t14-,15+,19-/m0/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)COC(=O)CNS(=O)(=O)C2=CC=CC=C2
InChI: InChI=1S/C17H24N2O5S/c1-13-7-5-6-10-15(13)19-16(20)12-24-17(21)11-18-25(22,23)14-8-3-2-4-9-14/h2-4,8-9,13,15,18H,5-7,10-12H2,1H3,(H,19,20)/t13-,15+/m0/s1
SMILES: CN[C@H]1CCC[C@@H]2[C@H]1CN(C2)C3=C(C=C4C(=C3F)N(C=C(C4=O)C(=O)O)C5CC5)F
InChI: InChI=1S/C22H25F2N3O3/c1-25-17-4-2-3-11-8-26(9-14(11)17)20-16(23)7-13-19(18(20)24)27(12-5-6-12)10-15(21(13)28)22(29)30/h7,10-12,14,17,25H,2-6,8-9H2,1H3,(H,29,30)/t11-,14+,17-/m0/s1
SMILES: CCO[C@H]1[C@@H]([C@H](C=C(O1)C(=O)N(C)C2CCCCC2)C3=CC=CC=C3)CCCO
InChI: InChI=1S/C24H35NO4/c1-3-28-24-20(15-10-16-26)21(18-11-6-4-7-12-18)17-22(29-24)23(27)25(2)19-13-8-5-9-14-19/h4,6-7,11-12,17,19-21,24,26H,3,5,8-10,13-16H2,1-2H3/t20-,21-,24-/m1/s1
SMILES: C[C@@H]1CC[C@H]2CCO[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)CCC5=CC=CC=C5
InChI: InChI=1S/C21H28O4/c1-15-7-8-17-11-14-22-19-21(17)18(15)10-13-20(23-19,24-25-21)12-9-16-5-3-2-4-6-16/h2-6,15,17-19H,7-14H2,1H3/t15-,17+,18+,19-,20-,21+/m1/s1
SMILES: CCOC(=O)CCN[C@H](CC(=O)OCC)[C@@H]1[C@@H]([C@@H]2[C@H](O1)OC(O2)(C)C)OC
InChI: InChI=1S/C18H31NO8/c1-6-23-12(20)8-9-19-11(10-13(21)24-7-2)14-15(22-5)16-17(25-14)27-18(3,4)26-16/h11,14-17,19H,6-10H2,1-5H3/t11-,14-,15+,16-,17-/m1/s1
SMILES: CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O
InChI: InChI=1S/C21H21N3O5/c1-2-13-7-9-14(10-8-13)19-22-17(29-23-19)12-28-18(25)11-24-20(26)15-5-3-4-6-16(15)21(24)27/h3-4,7-10,15-16H,2,5-6,11-12H2,1H3/t15-,16-/m1/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)C(=O)[C@H]2OC(=O)C[NH3+].[Cl-]
InChI: InChI=1S/C12H19NO3.ClH/c1-11(2)7-4-5-12(11,3)10(9(7)15)16-8(14)6-13;/h7,10H,4-6,13H2,1-3H3;1H/t7-,10-,12+;/m1./s1
SMILES: C1C=CC[C@H]([C@H]1C(=O)NC2=CC(=C(C=C2)Cl)C(=O)[O-])C(=O)[O-]
InChI: InChI=1S/C15H14ClNO5/c16-12-6-5-8(7-11(12)15(21)22)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)(H,21,22)/p-2/t9-,10+/m0/s1
SMILES: CN1C(=O)[C@@]2(C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]([C@@]2(C1=O)Cl)C5=CC(=C(C(=C5Br)Br)O)OC)C(=O)N(C4=O)C(=O)OC)Cl
InChI: InChI=1S/C24H20Br2Cl2N2O8/c1-29-20(34)23(27)7-11-8(4-5-9-13(11)19(33)30(18(9)32)22(36)38-3)14(24(23,28)21(29)35)10-6-12(37-2)17(31)16(26)15(10)25/h4,6,9,11,13-14,31H,5,7H2,1-3H3/t9-,11+,13-,14+,23+,24-/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C(=C5)O)O)O)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)O)O)O)O)O)O)O)O
InChI: InChI=1S/C33H40O21/c1-8-18(38)23(43)26(46)31(49-8)48-7-16-21(41)25(45)30(54-32-27(47)24(44)19(39)9(2)50-32)33(52-16)53-29-22(42)17-12(35)5-11(34)6-15(17)51-28(29)10-3-13(36)20(40)14(37)4-10/h3-6,8-9,16,18-19,21,23-27,30-41,43-47H,7H2,1-2H3/t8-,9-,16+,18-,19-,21+,23+,24+,25-,26+,27+,30+,31+,32-,33-/m0/s1
SMILES: CC1(O[C@H]([C@@H](O1)[C@H](COC(C)(C)C)N=[N+]=[N-])C#C)C
InChI: InChI=1S/C13H21N3O3/c1-7-10-11(19-13(5,6)18-10)9(15-16-14)8-17-12(2,3)4/h1,9-11H,8H2,2-6H3/t9-,10-,11-/m0/s1
SMILES: CC(C)[C@H]1CC[C@@H]2[C@@]1(CC[C@]3([C@]2(CC(=O)C4=C3[C@@H](C[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)O)C)C)C
InChI: InChI=1S/C30H48O3/c1-17(2)18-9-10-21-27(18,5)13-14-29(7)25-19(31)15-22-26(3,4)23(33)11-12-28(22,6)24(25)20(32)16-30(21,29)8/h17-19,21-23,31,33H,9-16H2,1-8H3/t18-,19-,21-,22+,23+,27-,28+,29-,30+/m1/s1
SMILES: C[C@H](C1=CC=CC=C1)N[C@@H]2C3=C(N=C4C=CC=CN4C3=O)N([C@]2(C(C)C)C(=O)OC)CC5=CC=CC=C5
InChI: InChI=1S/C30H32N4O3/c1-20(2)30(29(36)37-4)26(31-21(3)23-15-9-6-10-16-23)25-27(34(30)19-22-13-7-5-8-14-22)32-24-17-11-12-18-33(24)28(25)35/h5-18,20-21,26,31H,19H2,1-4H3/t21-,26-,30+/m1/s1
SMILES: C1=C(C(=C(N1)C(=O)N)N)[C@H]2[C@@H]([C@@H]([C@H](N2)CO)O)O
InChI: InChI=1S/C10H16N4O4/c11-5-3(1-13-7(5)10(12)18)6-9(17)8(16)4(2-15)14-6/h1,4,6,8-9,13-17H,2,11H2,(H2,12,18)/t4-,6+,8-,9+/m1/s1
SMILES: COC[C@H]1[C@H]2CC[C@H](N2)C[C@@H]1C3=CC(=C(C=C3)Cl)Cl.C(C(C(=O)O)O)(C(=O)O)O
InChI: InChI=1S/C15H19Cl2NO.C4H6O6/c1-19-8-12-11(7-10-3-5-15(12)18-10)9-2-4-13(16)14(17)6-9;5-1(3(7)8)2(6)4(9)10/h2,4,6,10-12,15,18H,3,5,7-8H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t10-,11+,12+,15+;/m0./s1
SMILES: B1(N[C@H]([C@H](O1)C2=CC=CC=C2)C3=CC=CC=C3)/C(=C\C)/C
InChI: InChI=1S/C18H20BNO/c1-3-14(2)19-20-17(15-10-6-4-7-11-15)18(21-19)16-12-8-5-9-13-16/h3-13,17-18,20H,1-2H3/b14-3-/t17-,18+/m0/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3C[C@H]4CC=CC[C@H]4[C@H]([C@H]3CO[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)OC(=O)C7=CC=CC=C7
InChI: InChI=1S/C51H60O4Si2/c1-50(2,3)56(42-27-14-8-15-28-42,43-29-16-9-17-30-43)53-37-41-36-40-26-22-23-35-46(40)48(55-49(52)39-24-12-7-13-25-39)47(41)38-54-57(51(4,5)6,44-31-18-10-19-32-44)45-33-20-11-21-34-45/h7-25,27-34,40-41,46-48H,26,35-38H2,1-6H3/t40-,41+,46-,47+,48-/m1/s1
SMILES: COC(=O)[C@H]1C=C[C@]2([C@H]3CCC[C@H]3C4=C2C1=CC=C4)C(=O)OC
InChI: InChI=1S/C19H20O4/c1-22-17(20)14-9-10-19(18(21)23-2)15-8-4-5-11(15)12-6-3-7-13(14)16(12)19/h3,6-7,9-11,14-15H,4-5,8H2,1-2H3/t11-,14-,15-,19+/m0/s1
SMILES: C1=CC(=CC=C1[C@@H]2[C@H](O2)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C14H10N2O5/c17-15(18)11-5-1-9(2-6-11)13-14(21-13)10-3-7-12(8-4-10)16(19)20/h1-8,13-14H/t13-,14-/m1/s1
SMILES: COC1=CC(=C(C=C1)OC)C=CC2=CC=C(C=C2)N3C(=O)[C@H]4CC=C5[C@H]([C@H]4C3=O)C[C@H]6C(=O)N(C(=O)[C@]6([C@H]5C7=CC(=C(C(=C7)Br)O)OC)C8=CC=C(C=C8)Cl)NC9=C(C=C(C=N9)C(F)(F)F)Cl
InChI: InChI=1S/C49H38BrCl2F3N4O8/c1-65-31-14-17-38(66-2)25(18-31)7-4-24-5-12-30(13-6-24)58-44(61)33-16-15-32-34(40(33)46(58)63)22-35-45(62)59(57-43-37(52)21-28(23-56-43)49(53,54)55)47(64)48(35,27-8-10-29(51)11-9-27)41(32)26-19-36(50)42(60)39(20-26)67-3/h4-15,17-21,23,33-35,40-41,60H,16,22H2,1-3H3,(H,56,57)/t33-,34+,35-,40-,41-,48+/m0/s1
SMILES: C1=C2C(=CC(=C1Cl)Cl)N(C=N2)[C@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
InChI: InChI=1S/C12H12Cl2N2O4/c13-5-1-7-8(2-6(5)14)16(4-15-7)12-11(19)10(18)9(3-17)20-12/h1-2,4,9-12,17-19H,3H2/t9-,10+,11-,12+/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4([C@H](C[C@@H](C5)OC6CCCCO6)OC7CCCCO7)C)C
InChI: InChI=1S/C39H58O7S/c1-26-11-14-30(15-12-26)47(40,41)44-25-27(2)32-17-18-33-31-16-13-28-23-29(45-36-9-5-7-21-42-36)24-35(46-37-10-6-8-22-43-37)39(28,4)34(31)19-20-38(32,33)3/h11-15,27,29,31-37H,5-10,16-25H2,1-4H3/t27-,29-,31+,32-,33+,34+,35+,36?,37?,38-,39+/m1/s1
SMILES: C[C@]12CCCC(C1[C@@H]([C@@H]([C@@]3([C@@H]2C(=O)C[C@](O3)(C)C=C)C)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC)O)(C)C
InChI: InChI=1S/C29H52NO9P/c1-11-27(4)17-21(31)23-28(5)14-12-13-26(2,3)24(28)22(32)25(29(23,6)39-27)36-18-20(35-10)19-38-40(33,34)37-16-15-30(7,8)9/h11,20,22-25,32H,1,12-19H2,2-10H3/p+1/t20?,22-,23+,24?,25-,27-,28+,29-/m0/s1
SMILES: C1C[C@H]2C[C@@H]1C[C@@H]2OC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C8H11N3O7/c12-9(13)8(10(14)15,11(16)17)18-7-4-5-1-2-6(7)3-5/h5-7H,1-4H2/t5-,6+,7+/m1/s1
SMILES: COC1=CC=CC(=C1OC)[C@H]2[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3C5=C(N2)C=CC(=C5)C(=O)O
InChI: InChI=1S/C23H25NO4/c1-27-18-5-3-4-15(22(18)28-2)21-20-13-7-6-12(10-13)19(20)16-11-14(23(25)26)8-9-17(16)24-21/h3-5,8-9,11-13,19-21,24H,6-7,10H2,1-2H3,(H,25,26)/t12-,13+,19-,20-,21+/m1/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)S[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O
InChI: InChI=1S/C12H22O10S/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1
SMILES: C1=CC=C(C=C1)CO[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI: InChI=1S/C12H16O5/c13-6-9-10(14)11(15)12(17-9)16-7-8-4-2-1-3-5-8/h1-5,9-15H,6-7H2/t9-,10-,11-,12-/m1/s1
SMILES: COC1=CC=C(C=C1)N2[C@@H]3CS(=O)(=O)C[C@H]3N(C2=S)CC=C
InChI: InChI=1S/C15H18N2O3S2/c1-3-8-16-13-9-22(18,19)10-14(13)17(15(16)21)11-4-6-12(20-2)7-5-11/h3-7,13-14H,1,8-10H2,2H3/t13-,14-/m1/s1
SMILES: C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)COC(=O)N3CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)[O-])C6CC6)F)C(=O)[O-])O.[Na+].[Na+]
InChI: InChI=1S/C27H27FN4O9S.2Na/c1-12(33)20-23(35)32-21(26(38)39)19(42-24(20)32)11-41-27(40)30-6-4-29(5-7-30)18-9-17-14(8-16(18)28)22(34)15(25(36)37)10-31(17)13-2-3-13;;/h8-10,12-13,20,24,33H,2-7,11H2,1H3,(H,36,37)(H,38,39);;/q;2*+1/p-2/t12-,20+,24-;;/m1../s1
SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@H]1C(=O)COC(=O)C5=CC=C(C=C5)N(C)C)C)O)F)C
InChI: InChI=1S/C31H38FNO5/c1-18-14-24-23-11-8-20-15-22(34)12-13-30(20,3)31(23,32)26(36)16-29(24,2)27(18)25(35)17-38-28(37)19-6-9-21(10-7-19)33(4)5/h6-7,9-10,12-13,15,18,23-24,26-27,36H,8,11,14,16-17H2,1-5H3/t18-,23+,24+,26+,27-,29+,30+,31+/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)C2=CC=CC=C2Br
InChI: InChI=1S/C17H21BrN2O4/c1-11-6-2-5-9-14(11)19-17(23)20-15(21)10-24-16(22)12-7-3-4-8-13(12)18/h3-4,7-8,11,14H,2,5-6,9-10H2,1H3,(H2,19,20,21,23)/t11-,14-/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)C#CC(=O)OC)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C
InChI: InChI=1S/C31H30O6/c1-30(2)36-28-25(19-20-27(32)33-3)35-26(29(28)37-30)21-34-31(22-13-7-4-8-14-22,23-15-9-5-10-16-23)24-17-11-6-12-18-24/h4-18,25-26,28-29H,21H2,1-3H3/t25-,26+,28-,29+/m0/s1
SMILES: CCN(CC)C1=NC=NC2=C1N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C20H27N5O7/c1-6-24(7-2)18-15-19(22-9-21-18)25(10-23-15)20-17(31-13(5)28)16(30-12(4)27)14(32-20)8-29-11(3)26/h9-10,14,16-17,20H,6-8H2,1-5H3/t14-,16-,17-,20-/m1/s1
SMILES: CC(C)(C)C1=C(C=C(C=C1)C(=O)N2[C@H]([C@H](C[C@@]2(CC3=CN=CN3)C(=O)O)C4=NC=CN=C4)C5=NC=CS5)OC
InChI: InChI=1S/C28H30N6O4S/c1-27(2,3)20-6-5-17(11-22(20)38-4)25(35)34-23(24-32-9-10-39-24)19(21-15-29-7-8-31-21)13-28(34,26(36)37)12-18-14-30-16-33-18/h5-11,14-16,19,23H,12-13H2,1-4H3,(H,30,33)(H,36,37)/t19-,23-,28+/m1/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H]1CC3([C@@H]4C[C@]2([C@]3(C(=C4)C(C)C)C(=O)O)C=O)CO[C@H]5CN(C[C@H](O5)C)OCC(=C)Cl
InChI: InChI=1S/C28H40ClNO6/c1-16(2)23-8-20-9-26(14-31)22-7-6-17(3)21(22)10-27(20,28(23,26)25(32)33)15-34-24-12-30(11-19(5)36-24)35-13-18(4)29/h8,14,16-17,19-22,24H,4,6-7,9-13,15H2,1-3,5H3,(H,32,33)/t17-,19-,20+,21-,22-,24-,26+,27?,28+/m1/s1
SMILES: COC1=C(C=C(C=C1)Cl)N2C(=O)[C@@H]3[C@@H](C2=O)C4(C(=O)C5=CC=CC=C5C4=O)O[C@@H]3C6=CC=C(C=C6)Br
InChI: InChI=1S/C27H17BrClNO6/c1-35-19-11-10-15(29)12-18(19)30-25(33)20-21(26(30)34)27(36-22(20)13-6-8-14(28)9-7-13)23(31)16-4-2-3-5-17(16)24(27)32/h2-12,20-22H,1H3/t20-,21+,22-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCC2=CC=CC=C2)OC(=O)C)OC(=O)C)O[C@H]3[C@@H]([C@@H]4[C@H]([C@H](O3)COC(=O)CCl)OC(O4)(C)C)OC(=O)C
InChI: InChI=1S/C32H41ClO16/c1-16(34)39-14-21-24(26(42-17(2)35)28(43-18(3)36)30(45-21)41-13-20-10-8-7-9-11-20)47-31-29(44-19(4)37)27-25(48-32(5,6)49-27)22(46-31)15-40-23(38)12-33/h7-11,21-22,24-31H,12-15H2,1-6H3/t21-,22-,24-,25+,26+,27+,28-,29-,30-,31+/m1/s1
SMILES: C[C@H](CCC(C=C)(C(C)C)OC(=O)C)[C@H]1C[C@H]([C@@H]2[C@@]1(C[C@H]([C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)OC(=O)C)C)OC(=O)C
InChI: InChI=1S/C37H56O8/c1-11-37(21(2)3,45-26(8)41)17-14-22(4)30-19-31(43-24(6)39)33-29-13-12-27-18-28(42-23(5)38)15-16-35(27,9)34(29)32(44-25(7)40)20-36(30,33)10/h11-12,21-22,28-34H,1,13-20H2,2-10H3/t22-,28+,29+,30-,31-,32-,33-,34-,35+,36-,37?/m1/s1
SMILES: CC1=CC(=CC=C1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)SC(=O)C)OCC3=CC=CC(=C3)C)OCC4=CC=CC(=C4)C)OCC5=CC=CC(=C5)C
InChI: InChI=1S/C40H46O6S/c1-27-10-6-14-32(18-27)22-42-26-36-37(43-23-33-15-7-11-28(2)19-33)38(44-24-34-16-8-12-29(3)20-34)39(40(46-36)47-31(5)41)45-25-35-17-9-13-30(4)21-35/h6-21,36-40H,22-26H2,1-5H3/t36-,37-,38+,39-,40+/m1/s1
SMILES: C1CC1[NH+](CC2=CC=C(C=C2)F)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O
InChI: InChI=1S/C19H21FN2O2/c20-14-7-5-13(6-8-14)11-21(15-9-10-15)12-22-18(23)16-3-1-2-4-17(16)19(22)24/h1-2,5-8,15-17H,3-4,9-12H2/p+1/t16-,17-/m0/s1
SMILES: COC(=O)C1=CC=C(C=C1)NC(=O)O[C@H]2CCCC[C@@H]2N3CCCC3
InChI: InChI=1S/C19H26N2O4/c1-24-18(22)14-8-10-15(11-9-14)20-19(23)25-17-7-3-2-6-16(17)21-12-4-5-13-21/h8-11,16-17H,2-7,12-13H2,1H3,(H,20,23)/t16-,17-/m0/s1
SMILES: C=CCOC(=O)C1=C(CC[C@H]2N1C(=O)[C@H]2N)C3=CSC(=N3)C4=NC=C(S4)[N+](=O)[O-]
InChI: InChI=1S/C17H15N5O5S2/c1-2-5-27-17(24)13-8(3-4-10-12(18)16(23)21(10)13)9-7-28-15(20-9)14-19-6-11(29-14)22(25)26/h2,6-7,10,12H,1,3-5,18H2/t10-,12+/m1/s1
SMILES: CCCCCC1(O[C@H]2[C@H]3C[C@@]4([C@@H]([C@H]2O1)ON([C@@H]4C(=O)O3)CC5=CC(=CC=C5)C=CC(=O)O[C@H]6C(=O)OCC6(C)C)C(=O)NCCC(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)CCCCC
InChI: InChI=1S/C48H69N3O14/c1-8-10-12-22-47(23-13-11-9-2)63-37-33-26-48(44(58)49-24-21-34(53)50-32(28-52)18-20-36(55)62-45(3,4)5)39(42(56)60-33)51(65-40(48)38(37)64-47)27-31-16-14-15-30(25-31)17-19-35(54)61-41-43(57)59-29-46(41,6)7/h14-17,19,25,32-33,37-41,52H,8-13,18,20-24,26-29H2,1-7H3,(H,49,58)(H,50,53)/t32-,33+,37-,38-,39+,40+,41-,48+/m0/s1
SMILES: C1CN(C[C@@H]([C@H]1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=C(NC4=CC=CC=C43)C5=CC=CC=C5)C(=O)OCC6=CC=CC=C6
InChI: InChI=1S/C34H29N3O6/c38-33(25-15-17-26(18-16-25)37(40)41)43-30-19-20-36(34(39)42-22-23-9-3-1-4-10-23)21-28(30)31-27-13-7-8-14-29(27)35-32(31)24-11-5-2-6-12-24/h1-18,28,30,35H,19-22H2/t28-,30-/m0/s1
SMILES: CC1(C[C@@H]([C@@H]([C@@]23[C@H]1C=C[C@@H]([C@@H]2C(=O)OC3)CO)OCOC)OCOC)C
InChI: InChI=1S/C19H30O7/c1-18(2)7-13(25-10-22-3)16(26-11-23-4)19-9-24-17(21)15(19)12(8-20)5-6-14(18)19/h5-6,12-16,20H,7-11H2,1-4H3/t12-,13+,14+,15-,16+,19+/m1/s1
SMILES: CCCCC=C1C[C@@H]2[C@@H](C1)C/C(=C(\C(=C(/C2)\CC)\CC)/CC)/CC
InChI: InChI=1S/C24H40/c1-6-11-12-13-18-14-21-16-19(7-2)23(9-4)24(10-5)20(8-3)17-22(21)15-18/h13,21-22H,6-12,14-17H2,1-5H3/b23-19-,24-20-/t21-,22-/m0/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@H](N[C@H]([C@H](C2=O)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C29H25NO/c31-29-25(21-13-5-1-6-14-21)27(23-17-9-3-10-18-23)30-28(24-19-11-4-12-20-24)26(29)22-15-7-2-8-16-22/h1-20,25-28,30H/t25-,26+,27+,28-
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)C3=CC=CC=C3OC(=O)C4=CC=C(C=C4)Br
InChI: InChI=1S/C21H16BrNO4/c22-14-11-9-13(10-12-14)21(26)27-18-8-4-3-7-17(18)23-19(24)15-5-1-2-6-16(15)20(23)25/h1-4,7-12,15-16H,5-6H2/t15-,16+
SMILES: C[C@@H]1CC[C@@H]([C@@H](C1)OC(=O)COC(=O)CNC(=O)C2=CC=CC=C2)C(C)C
InChI: InChI=1S/C21H29NO5/c1-14(2)17-10-9-15(3)11-18(17)27-20(24)13-26-19(23)12-22-21(25)16-7-5-4-6-8-16/h4-8,14-15,17-18H,9-13H2,1-3H3,(H,22,25)/t15-,17-,18-/m1/s1
SMILES: C[C@H]1CC[C@@H]([C@H](C1)OS(=O)C2=CC=C(C=C2)C)C(C)C
InChI: InChI=1S/C17H26O2S/c1-12(2)16-10-7-14(4)11-17(16)19-20(18)15-8-5-13(3)6-9-15/h5-6,8-9,12,14,16-17H,7,10-11H2,1-4H3/t14-,16+,17-,20?/m0/s1
SMILES: CCOC(=O)/C(=C/1\C[C@H]2[C@@H]3CCC4=C([C@H]3CC[C@@]2(C1=O)C)C=CC(=C4)O)/O
InChI: InChI=1S/C22H26O5/c1-3-27-21(26)19(24)17-11-18-16-6-4-12-10-13(23)5-7-14(12)15(16)8-9-22(18,2)20(17)25/h5,7,10,15-16,18,23-24H,3-4,6,8-9,11H2,1-2H3/b19-17-/t15-,16-,18+,22+/m1/s1
SMILES: COC1=C(C(=C(C(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@]5([C@]2(C(=O)N(C5=O)C6=CC=C(C=C6)F)Cl)Cl)C(=O)N(C4=O)C7=CC=C(C=C7)[N+](=O)[O-])Br)Br)O
InChI: InChI=1S/C33H22Br2Cl2FN3O8/c1-49-22-12-20(25(34)26(35)27(22)42)24-18-10-11-19-23(29(44)39(28(19)43)15-6-8-17(9-7-15)41(47)48)21(18)13-32(36)30(45)40(31(46)33(24,32)37)16-4-2-14(38)3-5-16/h2-10,12,19,21,23-24,42H,11,13H2,1H3/t19-,21+,23-,24+,32+,33-/m0/s1
SMILES: C[C@H](CC(=O)N1[C@@H]2C[C@H]3CC[C@@]2(C3(C)C)CS1(=O)=O)SC4=CC=CC=C4C(=O)OC
InChI: InChI=1S/C22H29NO5S2/c1-14(29-17-8-6-5-7-16(17)20(25)28-4)11-19(24)23-18-12-15-9-10-22(18,21(15,2)3)13-30(23,26)27/h5-8,14-15,18H,9-13H2,1-4H3/t14-,15-,18-,22-/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)C(=O)OC)OCC=C)OCC2=CC=CC=C2)O
InChI: InChI=1S/C23H36O7Si/c1-8-14-27-19-18(28-15-16-12-10-9-11-13-16)17(24)22(29-20(19)21(25)26-5)30-31(6,7)23(2,3)4/h8-13,17-20,22,24H,1,14-15H2,2-7H3/t17-,18-,19+,20-,22+/m1/s1
SMILES: CC(C)[C@H]1C(=N[C@@]2(C[C@@H]3CC[C@]2(C=C3)OC)C(=O)O1)C4=CC=CC=C4
InChI: InChI=1S/C21H25NO3/c1-14(2)18-17(16-7-5-4-6-8-16)22-21(19(23)25-18)13-15-9-11-20(21,24-3)12-10-15/h4-9,11,14-15,18H,10,12-13H2,1-3H3/t15-,18-,20-,21-/m0/s1
SMILES: C/C(=C\[C@H](CC(C)(C=C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)/C/C=C/C(C)(C)O
InChI: InChI=1S/C21H36O8/c1-6-21(5,27)11-14(10-13(2)8-7-9-20(3,4)26)28-19-18(25)17(24)16(23)15(12-22)29-19/h6-7,9-10,14-19,22-27H,1,8,11-12H2,2-5H3/b9-7+,13-10+/t14-,15-,16-,17+,18-,19-,21?/m1/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC=C4CNC(=O)OCC=C)CN(C)CC=C
InChI: InChI=1S/C34H40N2O5/c1-5-19-36(4)22-31-24(3)32(27-13-11-25(23-37)12-14-27)41-33(40-31)28-17-15-26(16-18-28)30-10-8-7-9-29(30)21-35-34(38)39-20-6-2/h5-18,24,31-33,37H,1-2,19-23H2,3-4H3,(H,35,38)/t24-,31+,32+,33+/m1/s1
SMILES: C1CCN2CCC[C@H]([C@H]2C1)CSC3=CC=CC=C3NC(=O)/C=C/C4=CC=CC=C4
InChI: InChI=1S/C25H30N2OS/c28-25(16-15-20-9-2-1-3-10-20)26-22-12-4-5-14-24(22)29-19-21-11-8-18-27-17-7-6-13-23(21)27/h1-5,9-10,12,14-16,21,23H,6-8,11,13,17-19H2,(H,26,28)/b16-15+/t21-,23+/m0/s1
SMILES: C1[C@@H]([C@@H]1C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3C#N)C4=CC(=CC=C4)C(=N)N
InChI: InChI=1S/C24H20N4O/c25-14-18-4-1-2-7-20(18)15-8-10-19(11-9-15)28-24(29)22-13-21(22)16-5-3-6-17(12-16)23(26)27/h1-12,21-22H,13H2,(H3,26,27)(H,28,29)/t21-,22-/m1/s1
SMILES: COC1=CC(=CC(=C1)C(=O)N2CC[C@@]3(CCCC[C@@H]3[C@H]2C4=CC=CC=C4)Cl)OC
InChI: InChI=1S/C24H28ClNO3/c1-28-19-14-18(15-20(16-19)29-2)23(27)26-13-12-24(25)11-7-6-10-21(24)22(26)17-8-4-3-5-9-17/h3-5,8-9,14-16,21-22H,6-7,10-13H2,1-2H3/t21-,22-,24-/m1/s1
SMILES: CC1=C([C@@H]2CC(CC[C@@]2(CC1)C(=O)OC)(C)C)C(=O)C[C@@]34[C@]5(CC[C@@H](C([C@@H]5CC[C@@]3(O4)C)(C)C)OC(=O)C)C
InChI: InChI=1S/C33H50O6/c1-20-10-15-32(27(36)37-9)17-16-28(3,4)18-22(32)26(20)23(35)19-33-30(7)13-12-25(38-21(2)34)29(5,6)24(30)11-14-31(33,8)39-33/h22,24-25H,10-19H2,1-9H3/t22-,24-,25-,30-,31-,32+,33+/m0/s1
SMILES: COCCCNC(=S)N[C@@H]1CC[C@]2(CCN([C@H]2C1)CC3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC.C(=O)(C(F)(F)F)O
InChI: InChI=1S/C28H39N3O3S.C2HF3O2/c1-32-17-7-15-29-27(35)30-23-12-13-28(22-10-11-24(33-2)25(18-22)34-3)14-16-31(26(28)19-23)20-21-8-5-4-6-9-21;3-2(4,5)1(6)7/h4-6,8-11,18,23,26H,7,12-17,19-20H2,1-3H3,(H2,29,30,35);(H,6,7)/t23-,26+,28+;/m1./s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(CC34CC5CC(C3)CC(C5)C4)S(=O)(=O)C6=CC=CS6)O)C7=C(C=C(C[C@H](CC1)O)C=C7)C(=O)C8=CC=CC=C8)C
InChI: InChI=1S/C44H55NO5S2/c1-30-8-6-17-42(2)39(37-15-13-31(23-36(46)14-12-30)24-38(37)41(47)35-9-4-3-5-10-35)16-18-44(42,48)29-45(52(49,50)40-11-7-19-51-40)28-43-25-32-20-33(26-43)22-34(21-32)27-43/h3-5,7-11,13,15,19,24,32-34,36,39,46,48H,6,12,14,16-18,20-23,25-29H2,1-2H3/t32?,33?,34?,36-,39-,42-,43?,44+/m0/s1
SMILES: CCCC1=CC2=C(S1)CN[C@@H]3[C@@H]2C4=CC(=C(C=C4CC3)O)O.Cl
InChI: InChI=1S/C18H21NO2S.ClH/c1-2-3-11-7-13-17(22-11)9-19-14-5-4-10-6-15(20)16(21)8-12(10)18(13)14;/h6-8,14,18-21H,2-5,9H2,1H3;1H/t14-,18+;/m0./s1
SMILES: C[C@@H]1C[C@]([C@@]2(CC[C@H]1C2=C)C)(C3=C(CCC3)C)O
InChI: InChI=1S/C17H26O/c1-11-6-5-7-15(11)17(18)10-12(2)14-8-9-16(17,4)13(14)3/h12,14,18H,3,5-10H2,1-2,4H3/t12-,14-,16-,17-/m1/s1
SMILES: CC(C)OC1=CC2=C(C=C1)O[C@@H]([C@H]([C@@H]2C3=CC=C(C=C3)OC)C(=O)O)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C27H26O7/c1-15(2)33-19-9-11-21-20(13-19)24(16-4-7-18(30-3)8-5-16)25(27(28)29)26(34-21)17-6-10-22-23(12-17)32-14-31-22/h4-13,15,24-26H,14H2,1-3H3,(H,28,29)/t24-,25+,26-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC(=N)C(Cl)(Cl)Cl)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C16H20Cl3NO10/c1-6(21)25-5-10-11(26-7(2)22)12(27-8(3)23)13(28-9(4)24)14(29-10)30-15(20)16(17,18)19/h10-14,20H,5H2,1-4H3/t10-,11-,12+,13+,14+/m1/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)NC(=O)N[C@@H](CC4=CC=CC=C4)C(=O)OC)CN(CC5=CC=CC=C5)CC6=CC=CC=C6
InChI: InChI=1S/C44H47N3O6/c1-31-40(29-47(27-33-14-8-4-9-15-33)28-34-16-10-5-11-17-34)52-43(53-41(31)36-20-18-35(30-48)19-21-36)37-22-24-38(25-23-37)45-44(50)46-39(42(49)51-2)26-32-12-6-3-7-13-32/h3-25,31,39-41,43,48H,26-30H2,1-2H3,(H2,45,46,50)/t31-,39+,40+,41+,43+/m1/s1
SMILES: C1CN2[C@@H]([C@H]1NC(=O)C3=CC(=CC=C3)F)C(=O)NC4=C(C2=O)C=C(C=C4)C5=C(C=C(C=C5)F)F
InChI: InChI=1S/C25H18F3N3O3/c26-15-3-1-2-14(10-15)23(32)30-21-8-9-31-22(21)24(33)29-20-7-4-13(11-18(20)25(31)34)17-6-5-16(27)12-19(17)28/h1-7,10-12,21-22H,8-9H2,(H,29,33)(H,30,32)/t21-,22-/m0/s1
SMILES: CCOC(=O)C1=NN[C@]2([C@H]1C(=O)N(C2=O)C3=CC=C(C=C3)C)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C21H18ClN3O4/c1-3-29-19(27)17-16-18(26)25(15-10-4-12(2)5-11-15)20(28)21(16,24-23-17)13-6-8-14(22)9-7-13/h4-11,16,24H,3H2,1-2H3/t16-,21+/m1/s1
SMILES: CCCN([C@H]1CC(=NOCC2=CC=C(C=C2)[N+](=O)[O-])C3=C[C@@H]([C@H]([C@H]4[C@@H]3[C@@]1(OC5=C4C=C(C=C5)OCCN6CC6)OCC=C)CCCCO)CCCCO)S(=O)(=O)C7=CC=CC8=C7N=CC=C8
InChI: InChI=1S/C50H61N5O10S/c1-3-23-54(66(60,61)45-15-9-12-36-13-10-22-51-49(36)45)46-33-43(52-64-34-35-16-18-38(19-17-35)55(58)59)41-31-37(11-5-7-27-56)40(14-6-8-28-57)47-42-32-39(62-30-26-53-24-25-53)20-21-44(42)65-50(46,48(41)47)63-29-4-2/h4,9-10,12-13,15-22,31-32,37,40,46-48,56-57H,2-3,5-8,11,14,23-30,33-34H2,1H3/t37-,40+,46-,47+,48+,50+/m0/s1