EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C/C(=N\O)/C1=CC=CC(=C1)CN2[C@@H]([C@@H]([C@H]([C@H](N(C2=O)CC3=CC(=CC=C3)/C(=N\O)/C)CC4=CC=CC=C4)O)O)CC5=CC=CC=C5
InChI: InChI=1S/C37H40N4O5/c1-25(38-45)31-17-9-15-29(19-31)23-40-33(21-27-11-5-3-6-12-27)35(42)36(43)34(22-28-13-7-4-8-14-28)41(37(40)44)24-30-16-10-18-32(20-30)26(2)39-46/h3-20,33-36,42-43,45-46H,21-24H2,1-2H3/b38-25-,39-26+/t33-,34-,35+,36+/m1/s1
SMILES: COCC(=O)N=C1N([C@@H]2CS(=O)(=O)C[C@H]2S1)C3=CC(=CC=C3)F
InChI: InChI=1S/C14H15FN2O4S2/c1-21-6-13(18)16-14-17(10-4-2-3-9(15)5-10)11-7-23(19,20)8-12(11)22-14/h2-5,11-12H,6-8H2,1H3/t11-,12-/m1/s1
SMILES: C1[C@H]([C@@H]([C@@H](CC1=O)C(=O)O)C(=O)O)C2=CC=CO2
InChI: InChI=1S/C12H12O6/c13-6-4-7(9-2-1-3-18-9)10(12(16)17)8(5-6)11(14)15/h1-3,7-8,10H,4-5H2,(H,14,15)(H,16,17)/t7-,8+,10-/m0/s1
SMILES: CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@H](C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O)O)CC5=C(C=C(C=C5)F)F
InChI: InChI=1S/C37H46F2N4O4/c1-37(2,3)41-36(47)32-23-42(21-26-13-14-28(38)20-31(26)39)15-16-43(32)22-29(44)18-27(17-24-9-5-4-6-10-24)35(46)40-34-30-12-8-7-11-25(30)19-33(34)45/h4-14,20,27,29,32-34,44-45H,15-19,21-23H2,1-3H3,(H,40,46)(H,41,47)/t27-,29+,32+,33-,34+/m1/s1
SMILES: CC(C)OCCCN([C@@H]1CC(=C[C@@H]([C@H]1O)OC2=CC=CC=C2I)C(=O)NCCO)C(=O)C=C(C)C
InChI: InChI=1S/C26H37IN2O6/c1-17(2)14-24(31)29(11-7-13-34-18(3)4)21-15-19(26(33)28-10-12-30)16-23(25(21)32)35-22-9-6-5-8-20(22)27/h5-6,8-9,14,16,18,21,23,25,30,32H,7,10-13,15H2,1-4H3,(H,28,33)/t21-,23+,25+/m1/s1
SMILES: CC1=CC(=C(C=C1)N2C(=O)[C@H]3[C@@H](N(O[C@H]3C2=O)C4=CC=CC=C4)C5=CC=CC=C5F)C
InChI: InChI=1S/C25H21FN2O3/c1-15-12-13-20(16(2)14-15)27-24(29)21-22(18-10-6-7-11-19(18)26)28(31-23(21)25(27)30)17-8-4-3-5-9-17/h3-14,21-23H,1-2H3/t21-,22-,23+/m0/s1
SMILES: C1=CN(C(=O)[15N]=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI: InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1/i11+1
SMILES: C[C@@]12CCC[C@H]3[C@@H]1N(C4=CC=CC=C24)C(=O)C(C3=O)(Cl)Cl
InChI: InChI=1S/C16H15Cl2NO2/c1-15-8-4-5-9-12(15)19(11-7-3-2-6-10(11)15)14(21)16(17,18)13(9)20/h2-3,6-7,9,12H,4-5,8H2,1H3/t9-,12-,15-/m0/s1
SMILES: CC(CCC(=O)N(C)CC(=O)O)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChI: InChI=1S/C27H45NO5/c1-16(5-8-24(31)28(4)15-25(32)33)19-6-7-20-18-14-23(30)22-13-17(29)9-11-27(22,3)21(18)10-12-26(19,20)2/h16-23,29-30H,5-15H2,1-4H3,(H,32,33)/t16?,17-,18+,19?,20+,21+,22+,23+,26-,27-/m1/s1
SMILES: C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H](O2)C#CC3([C@H]([C@@H]([C@H](O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)O)OCC7=CC=CC=C7)OCC8=CC=CC=C8
InChI: InChI=1S/C54H54O9/c55-54(53(61-38-46-29-17-6-18-30-46)52(60-37-45-27-15-5-16-28-45)49(63-54)40-57-34-42-21-9-2-10-22-42)32-31-47-50(58-35-43-23-11-3-12-24-43)51(59-36-44-25-13-4-14-26-44)48(62-47)39-56-33-41-19-7-1-8-20-41/h1-30,47-53,55H,33-40H2/t47-,48-,49-,50-,51-,52-,53+,54?/m1/s1
SMILES: CCO[C@@H]1[C@@H]([C@@H](C=C(O1)C(=O)NCC2=CC=C(C=C2)Cl)C3=CC=CC=C3)CCCO
InChI: InChI=1S/C24H28ClNO4/c1-2-29-24-20(9-6-14-27)21(18-7-4-3-5-8-18)15-22(30-24)23(28)26-16-17-10-12-19(25)13-11-17/h3-5,7-8,10-13,15,20-21,24,27H,2,6,9,14,16H2,1H3,(H,26,28)/t20-,21+,24+/m1/s1
SMILES: CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)N[C@@H](C)[C@H]3C[C@@H]4CC[C@H]3C4
InChI: InChI=1S/C20H23ClN2O2/c1-11(16-10-13-7-8-14(16)9-13)22-20(24)18-12(2)25-23-19(18)15-5-3-4-6-17(15)21/h3-6,11,13-14,16H,7-10H2,1-2H3,(H,22,24)/t11-,13+,14-,16+/m0/s1
SMILES: CC1=CN=C(C=C1)NC(=O)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@@H]5[C@@]4(C=CC(=O)N5C)C)C
InChI: InChI=1S/C26H35N3O2/c1-16-5-10-22(27-15-16)28-24(31)20-8-7-18-17-6-9-21-26(3,14-12-23(30)29(21)4)19(17)11-13-25(18,20)2/h5,10,12,14-15,17-21H,6-9,11,13H2,1-4H3,(H,27,28,31)/t17-,18-,19-,20+,21+,25-,26+/m0/s1
SMILES: C[C@@]12CCCC[C@H]1[C@H]2C(=O)N/N=C\C3=CC(=C(C=C3)OC)OC
InChI: InChI=1S/C18H24N2O3/c1-18-9-5-4-6-13(18)16(18)17(21)20-19-11-12-7-8-14(22-2)15(10-12)23-3/h7-8,10-11,13,16H,4-6,9H2,1-3H3,(H,20,21)/b19-11-/t13-,16-,18+/m0/s1
SMILES: C[C@]12CCC3C([C@]14C[C@@H]4C[C@H]2O)CCC5=C(C(=O)C=C[C@]35C)Cl
InChI: InChI=1S/C20H25ClO2/c1-18-7-6-15(22)17(21)14(18)4-3-13-12(18)5-8-19(2)16(23)9-11-10-20(11,13)19/h6-7,11-13,16,23H,3-5,8-10H2,1-2H3/t11-,12?,13?,16+,18+,19+,20+/m0/s1
SMILES: CC1(O[C@@H]([C@H](O1)[C@@H](CC2SCCCS2)OC)[C@H]3CO3)C
InChI: InChI=1S/C14H24O4S2/c1-14(2)17-12(13(18-14)10-8-16-10)9(15-3)7-11-19-5-4-6-20-11/h9-13H,4-8H2,1-3H3/t9-,10-,12-,13-/m1/s1
SMILES: C[C@@H]1[C@H](C2([C@H]([C@](C3C(O2)CC4[C@@]3(CCC5C4C[C@@H]6C7([C@@]5(C(=O)C=C[C@@H]7O)C)O6)C)(C)O)O)OC1=O)C
InChI: InChI=1S/C28H38O8/c1-12-13(2)28(36-22(12)31)23(32)26(5,33)21-17(34-28)11-16-14-10-20-27(35-20)19(30)7-6-18(29)25(27,4)15(14)8-9-24(16,21)3/h6-7,12-17,19-21,23,30,32-33H,8-11H2,1-5H3/t12-,13-,14?,15?,16?,17?,19+,20-,21?,23+,24+,25+,26-,27?,28?/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(=C4)CNS(=O)(=O)C5=CC=CC=C5)CN6CC[C@@H](C6)O
InChI: InChI=1S/C36H40N2O6S/c1-25-34(23-38-19-18-32(40)22-38)43-36(44-35(25)29-12-10-26(24-39)11-13-29)30-16-14-28(15-17-30)31-7-5-6-27(20-31)21-37-45(41,42)33-8-3-2-4-9-33/h2-17,20,25,32,34-37,39-40H,18-19,21-24H2,1H3/t25-,32-,34+,35+,36+/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]3[C@@H]2C(=O)N(C3=O)CCC4=CC=CC=C4
InChI: InChI=1S/C17H17NO2/c19-16-14-12-6-7-13(10-12)15(14)17(20)18(16)9-8-11-4-2-1-3-5-11/h1-7,12-15H,8-10H2/t12-,13+,14-,15-/m1/s1
SMILES: COC1=C2C3=C(C[C@@H]4[C@]5([C@]3(CCN4CC6CC6)[C@@H](O2)C(=O)CC5)NC(=O)/C=C/C7=CC=CC=C7)C=C1
InChI: InChI=1S/C30H32N2O4/c1-35-23-11-10-21-17-24-30(31-25(34)12-9-19-5-3-2-4-6-19)14-13-22(33)28-29(30,26(21)27(23)36-28)15-16-32(24)18-20-7-8-20/h2-6,9-12,20,24,28H,7-8,13-18H2,1H3,(H,31,34)/b12-9+/t24-,28+,29+,30-/m1/s1
SMILES: C[C@@](CO)([C@H]([C@@]12C(=O)N[C@@]([C@@H](CCO1)CCO)(C(=O)N2)O)O)O
InChI: InChI=1S/C13H22N2O8/c1-11(21,6-17)8(18)13-10(20)14-12(22,9(19)15-13)7(2-4-16)3-5-23-13/h7-8,16-18,21-22H,2-6H2,1H3,(H,14,20)(H,15,19)/t7-,8-,11-,12-,13+/m1/s1
SMILES: C[C@H](C=O)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@H]([C@@]([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C(=O)O)O)C)C(=O)O
InChI: InChI=1S/C30H46O6/c1-17(16-31)18-8-13-30(25(35)36)15-14-27(3)19(23(18)30)6-7-20-26(2)11-10-22(32)29(5,24(33)34)21(26)9-12-28(20,27)4/h16-23,32H,6-15H2,1-5H3,(H,33,34)(H,35,36)/t17-,18+,19-,20-,21-,22-,23-,26-,27-,28-,29+,30+/m1/s1
SMILES: C[C@@H]([C@H](C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)NC(=O)C1=C[C@@H]2[C@H]([C@@H](C1)OC(=O)C3=CC=CC=C3I)OCO2)O
InChI: InChI=1S/C28H37IN2O10/c1-15(33)23(26(36)30-17(13-32)9-10-22(34)41-28(2,3)4)31-25(35)16-11-20-24(39-14-38-20)21(12-16)40-27(37)18-7-5-6-8-19(18)29/h5-8,11,15,17,20-21,23-24,32-33H,9-10,12-14H2,1-4H3,(H,30,36)(H,31,35)/t15-,17-,20+,21+,23+,24+/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC5(C4)OCC(O5)C[N+](C)(C)C)C)C.[I-]
InChI: InChI=1S/C33H58NO2.HI/c1-23(2)10-9-11-24(3)28-14-15-29-27-13-12-25-20-33(35-22-26(36-33)21-34(6,7)8)19-18-31(25,4)30(27)16-17-32(28,29)5;/h12,23-24,26-30H,9-11,13-22H2,1-8H3;1H/q+1;/p-1/t24-,26?,27+,28-,29+,30+,31+,32-,33?;/m1./s1
SMILES: C1[C@@H]2[C@H]([C@@H]([C@@H](O2)[C@H](S1)[S@](=O)C3=CC=C(C=C3)C#N)O)O
InChI: InChI=1S/C13H13NO4S2/c14-5-7-1-3-8(4-2-7)20(17)13-12-11(16)10(15)9(18-12)6-19-13/h1-4,9-13,15-16H,6H2/t9-,10-,11+,12-,13-,20-/m1/s1
SMILES: CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)[C@H](C/C=C/CCBr)O)OC(=O)C
InChI: InChI=1S/C17H23BrN2O6/c1-10-9-20(17(24)19-16(10)23)14-8-13(25-11(2)21)15(26-14)12(22)6-4-3-5-7-18/h3-4,9,12-15,22H,5-8H2,1-2H3,(H,19,23,24)/b4-3+/t12-,13-,14+,15+/m0/s1
SMILES: CC(=O)OCC1=C(N2[C@@H]([C@H](C2=O)OC)S(=O)(=O)C1)C(=O)NCCC(=O)O
InChI: InChI=1S/C14H18N2O9S/c1-7(17)25-5-8-6-26(22,23)14-11(24-2)13(21)16(14)10(8)12(20)15-4-3-9(18)19/h11,14H,3-6H2,1-2H3,(H,15,20)(H,18,19)/t11-,14+/m0/s1
SMILES: CC1(C=CC2=C(O1)C=CC3=C2O[C@@H]4COC5=CC(=C(C=C5[C@@H]4C3=O)O)OC)C
InChI: InChI=1S/C22H20O6/c1-22(2)7-6-11-15(28-22)5-4-12-20(24)19-13-8-14(23)17(25-3)9-16(13)26-10-18(19)27-21(11)12/h4-9,18-19,23H,10H2,1-3H3/t18-,19+/m1/s1
SMILES: C[C@@H]1[C@H](OC2=C(C1=O)C3=C(C(=CC(=O)O3)C(C)C)C4=C2C=CC(O4)(C)C)C
InChI: InChI=1S/C22H24O5/c1-10(2)14-9-15(23)26-21-16(14)20-13(7-8-22(5,6)27-20)19-17(21)18(24)11(3)12(4)25-19/h7-12H,1-6H3/t11-,12-/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]3[C@H](O2)CO[C@@H](O3)CC4=CC=CC=C4C#N)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9
InChI: InChI=1S/C57H55NO13/c1-61-56-52(65-35-40-23-11-4-12-24-40)50(64-34-39-21-9-3-10-22-39)48(63-33-38-19-7-2-8-20-38)45(67-56)37-66-57-53(71-55(60)42-27-15-6-16-28-42)51(70-54(59)41-25-13-5-14-26-41)49-46(68-57)36-62-47(69-49)31-43-29-17-18-30-44(43)32-58/h2-30,45-53,56-57H,31,33-37H2,1H3/t45-,46-,47+,48-,49+,50+,51+,52-,53-,56+,57-/m1/s1
SMILES: C[C@@]12CC[C@@H]3[C@H](C[C@@]3(C)CO)C(=C)[C@@H](C[C@H]1O2)O
InChI: InChI=1S/C15H24O3/c1-9-10-7-14(2,8-16)11(10)4-5-15(3)13(18-15)6-12(9)17/h10-13,16-17H,1,4-8H2,2-3H3/t10-,11-,12-,13-,14+,15-/m1/s1
SMILES: CC(=O)[C@@H]1[C@H](C(=C(C[C@]1(C)O)O)C(=O)C)C2=CC(=CC=C2)[N+](=O)[O-]
InChI: InChI=1S/C17H19NO6/c1-9(19)14-13(21)8-17(3,22)16(10(2)20)15(14)11-5-4-6-12(7-11)18(23)24/h4-7,15-16,21-22H,8H2,1-3H3/t15-,16+,17-/m0/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@H]2C(=O)N(C3=O)C4=CC=C(C=C4)/C=C/C(=O)C5=CC=CC=C5
InChI: InChI=1S/C24H19NO3/c26-20(16-4-2-1-3-5-16)13-8-15-6-11-19(12-7-15)25-23(27)21-17-9-10-18(14-17)22(21)24(25)28/h1-13,17-18,21-22H,14H2/b13-8+/t17-,18+,21-,22-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=C(C=C34)C56CC7CC(C5)CC(C7)C6)O
InChI: InChI=1S/C28H36O2/c1-27-7-6-20-21(23(27)4-5-26(27)30)3-2-19-11-25(29)24(12-22(19)20)28-13-16-8-17(14-28)10-18(9-16)15-28/h11-12,16-18,20-21,23,29H,2-10,13-15H2,1H3/t16?,17?,18?,20-,21+,23-,27-,28?/m0/s1
SMILES: C1CCC2=NC(=NN2CC1)[C@H]3[C@@H]([C@@H]([C@H](O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6
InChI: InChI=1S/C33H31N3O7/c37-31(22-13-5-1-6-14-22)40-21-25-27(42-32(38)23-15-7-2-8-16-23)28(43-33(39)24-17-9-3-10-18-24)29(41-25)30-34-26-19-11-4-12-20-36(26)35-30/h1-3,5-10,13-18,25,27-29H,4,11-12,19-21H2/t25-,27-,28-,29-/m1/s1
SMILES: CC1=NN([C@@]2(C1)[C@H](C(=O)N2C3=NC4=CC=CC=C4S3)Cl)C5=CC=C(C=C5)C
InChI: InChI=1S/C20H17ClN4OS/c1-12-7-9-14(10-8-12)25-20(11-13(2)23-25)17(21)18(26)24(20)19-22-15-5-3-4-6-16(15)27-19/h3-10,17H,11H2,1-2H3/t17-,20-/m0/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CNC(=O)C(Cl)(Cl)Cl)CN(C)[C@H](C)[C@H](C4=CC=CC=C4)O
InChI: InChI=1S/C32H37Cl3N2O5/c1-20-27(18-37(3)21(2)28(39)24-7-5-4-6-8-24)41-30(42-29(20)25-13-11-23(19-38)12-14-25)26-15-9-22(10-16-26)17-36-31(40)32(33,34)35/h4-16,20-21,27-30,38-39H,17-19H2,1-3H3,(H,36,40)/t20-,21-,27+,28-,29+,30+/m1/s1
SMILES: C[C@@]12CC[C@@H](C1(C)C)[C@@H]3[C@H]2O[C@@]4(N3O[C@H](C4)CCOCC5=CC=CC=C5)CCCCOCC6=CC=CC=C6
InChI: InChI=1S/C33H45NO4/c1-31(2)28-16-19-32(31,3)30-29(28)34-33(37-30,18-10-11-20-35-23-25-12-6-4-7-13-25)22-27(38-34)17-21-36-24-26-14-8-5-9-15-26/h4-9,12-15,27-30H,10-11,16-24H2,1-3H3/t27-,28+,29+,30+,32-,33-/m0/s1
SMILES: CCCCC[C@@H]1[C@]2([C@@]1([C@@]3(N=C2N)OC[C@@H](O3)C)C#N)C#N
InChI: InChI=1S/C15H20N4O2/c1-3-4-5-6-11-13(8-16)12(18)19-15(14(11,13)9-17)20-7-10(2)21-15/h10-11H,3-7H2,1-2H3,(H2,18,19)/t10-,11+,13+,14+,15+/m0/s1
SMILES: C1[C@@H]([C@H](C(=O)O1)CC2=CC3=C(C=C2)OCO3)[C@@H](C4=COC=C4)O
InChI: InChI=1S/C17H16O6/c18-16(11-3-4-20-7-11)13-8-21-17(19)12(13)5-10-1-2-14-15(6-10)23-9-22-14/h1-4,6-7,12-13,16,18H,5,8-9H2/t12-,13+,16-/m1/s1
SMILES: C1C2=CC=CC=C2[C@]34[C@]15C(=CC6=CC=CC=C6C(=C5C7=CC=CC=C73)C8=CC=CC=C8)C9=CC=CC=C49
InChI: InChI=1S/C37H24/c1-2-12-24(13-3-1)34-27-16-6-4-14-25(27)22-33-28-17-7-10-20-31(28)37-30-19-9-5-15-26(30)23-36(33,37)35(34)29-18-8-11-21-32(29)37/h1-22H,23H2/t36-,37+/m0/s1
SMILES: C[C@@H]1[C@H]([C@H]([C@H]([P@](=O)(O1)OC2=CC=CC=C2)O)O)O
InChI: InChI=1S/C11H15O6P/c1-7-9(12)10(13)11(14)18(15,16-7)17-8-5-3-2-4-6-8/h2-7,9-14H,1H3/t7-,9-,10-,11+,18+/m1/s1
SMILES: CC(C)N1C(=S)CC(C2=C1C=CC(=C2)[C@]3(C[C@H]3/C=C/C(=C/C(=O)O)/C)C)(C)C
InChI: InChI=1S/C24H31NO2S/c1-15(2)25-20-10-9-17(12-19(20)23(4,5)14-21(25)28)24(6)13-18(24)8-7-16(3)11-22(26)27/h7-12,15,18H,13-14H2,1-6H3,(H,26,27)/b8-7+,16-11+/t18-,24-/m1/s1
SMILES: C[C@@H]([C@H]1CC[C@@]2([C@@]1(CC=C3[C@H]2CC[C@@H]4C(=C3)CC[C@@H]([C@@]4(C)CO)N(C)C(=O)[C@@H](C(C)C)O)C)C)N(C)C
InChI: InChI=1S/C32H54N2O3/c1-20(2)28(36)29(37)34(9)27-13-10-22-18-23-14-16-31(5)24(21(3)33(7)8)15-17-32(31,6)26(23)12-11-25(22)30(27,4)19-35/h14,18,20-21,24-28,35-36H,10-13,15-17,19H2,1-9H3/t21-,24+,25+,26+,27-,28+,30-,31+,32-/m0/s1
SMILES: CC(=O)O/C=C/1\[C@@H]([C@@H]([C@H]([C@H](O1)OC)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C30H32O7/c1-22(31)33-21-26-27(34-18-23-12-6-3-7-13-23)28(35-19-24-14-8-4-9-15-24)29(30(32-2)37-26)36-20-25-16-10-5-11-17-25/h3-17,21,27-30H,18-20H2,1-2H3/b26-21+/t27-,28-,29+,30-/m0/s1
SMILES: C[C@]12CC[C@@H](CC1=CC=C3[C@@H]2CC[C@]4([C@H]3CC[C@]4(CN(CC5=CC=C(C=C5)OC(F)(F)F)C(=O)NC6=CC=C(C=C6)OC)O)C)O
InChI: InChI=1S/C36H43F3N2O5/c1-33-17-14-26(42)20-24(33)6-13-29-30(33)15-18-34(2)31(29)16-19-35(34,44)22-41(32(43)40-25-7-11-27(45-3)12-8-25)21-23-4-9-28(10-5-23)46-36(37,38)39/h4-13,26,30-31,42,44H,14-22H2,1-3H3,(H,40,43)/t26-,30-,31-,33-,34-,35+/m0/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)COC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]
InChI: InChI=1S/C18H25N3O5/c1-11-5-4-6-14(12(11)2)20-17(22)10-26-18(23)13-7-8-15(19-3)16(9-13)21(24)25/h7-9,11-12,14,19H,4-6,10H2,1-3H3,(H,20,22)/t11-,12-,14+/m1/s1
SMILES: C[C@H]1[C@@H]2[C@H](C[C@]3([C@@H](CC=C([C@@H]3[C@H]2OC1=O)C)O)C)OC(=O)C
InChI: InChI=1S/C17H24O5/c1-8-5-6-12(19)17(4)7-11(21-10(3)18)13-9(2)16(20)22-15(13)14(8)17/h5,9,11-15,19H,6-7H2,1-4H3/t9-,11-,12+,13+,14+,15-,17-/m0/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)CSC2=CC=CC=C2)C(C)(C)C3=CC=CC=C3
InChI: InChI=1S/C24H30O2S/c1-18-14-15-21(24(2,3)19-10-6-4-7-11-19)22(16-18)26-23(25)17-27-20-12-8-5-9-13-20/h4-13,18,21-22H,14-17H2,1-3H3/t18-,21-,22-/m1/s1
SMILES: C[C@H]1CN2C3=C(CN1CC=C(C)C)C=C(C=C3NC2=S)Cl.CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI: InChI=1S/C16H20ClN3S.C10H13N5O4/c1-10(2)4-5-19-9-12-6-13(17)7-14-15(12)20(8-11(19)3)16(21)18-14;1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h4,6-7,11H,5,8-9H2,1-3H3,(H,18,21);3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t11-;6-,7+,8+/m00/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@H]2[C@@H](NC(=O)N[C@@]2(C(F)(F)F)O)C3=CC=C(C=C3)OC(F)F
InChI: InChI=1S/C19H15F5N2O4/c20-16(21)30-12-8-6-10(7-9-12)14-13(15(27)11-4-2-1-3-5-11)18(29,19(22,23)24)26-17(28)25-14/h1-9,13-14,16,29H,(H2,25,26,28)/t13-,14+,18-/m1/s1
SMILES: CC1([C@@H](N2[C@H](S1)[C@@](C2=O)(NC(=O)COC3=CC=CC=C3)OC)C(=O)OCC4=CC=CC=C4)C
InChI: InChI=1S/C24H26N2O6S/c1-23(2)19(20(28)32-14-16-10-6-4-7-11-16)26-21(29)24(30-3,22(26)33-23)25-18(27)15-31-17-12-8-5-9-13-17/h4-13,19,22H,14-15H2,1-3H3,(H,25,27)/t19-,22+,24-/m0/s1
SMILES: CC1=C(C=C(C=C1)C2=NN=C(O2)SCC(=O)N3CCC[C@@H]4[C@H]3CCCC4)C
InChI: InChI=1S/C21H27N3O2S/c1-14-9-10-17(12-15(14)2)20-22-23-21(26-20)27-13-19(25)24-11-5-7-16-6-3-4-8-18(16)24/h9-10,12,16,18H,3-8,11,13H2,1-2H3/t16-,18-/m1/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=COC6=C(C5)C=C(C=C6)O)C(=O)N(C4=O)C(=O)N
InChI: InChI=1S/C27H22N2O7/c1-11-6-19(31)23-18(24(11)32)9-17-15(3-4-16-22(17)26(34)29(25(16)33)27(28)35)21(23)13-7-12-8-14(30)2-5-20(12)36-10-13/h2-3,5-6,8,10,16-17,21-22,30H,4,7,9H2,1H3,(H2,28,35)/t16-,17+,21-,22-/m0/s1
SMILES: CC1=C(C=NN1C)CNC(=O)[C@@H]2C[C@H]2C3=CC=C(C=C3)C(C)(C)C
InChI: InChI=1S/C20H27N3O/c1-13-15(12-22-23(13)5)11-21-19(24)18-10-17(18)14-6-8-16(9-7-14)20(2,3)4/h6-9,12,17-18H,10-11H2,1-5H3,(H,21,24)/t17-,18+/m0/s1
SMILES: C1COC2=C1C=C(C=C2)C[C@@H]3[C@@H]([C@H]([C@H](N(C(=O)N3CC4=CC=CC=C4)CC5=CC=CC=C5)CC6=CC7=C(C=C6)OCC7)O)O
InChI: InChI=1S/C37H38N2O5/c40-35-31(21-27-11-13-33-29(19-27)15-17-43-33)38(23-25-7-3-1-4-8-25)37(42)39(24-26-9-5-2-6-10-26)32(36(35)41)22-28-12-14-34-30(20-28)16-18-44-34/h1-14,19-20,31-32,35-36,40-41H,15-18,21-24H2/t31-,32-,35+,36+/m1/s1
SMILES: CC(C)N[C@@H]1CC[C@H]([C@H](C1)NC(=O)CNC(=O)C2=C(C=CC(=C2)OC(F)(F)F)N)CS(=O)(=O)C3=CC=C(C=C3)SC
InChI: InChI=1S/C27H35F3N4O5S2/c1-16(2)33-18-5-4-17(15-41(37,38)21-9-7-20(40-3)8-10-21)24(12-18)34-25(35)14-32-26(36)22-13-19(6-11-23(22)31)39-27(28,29)30/h6-11,13,16-18,24,33H,4-5,12,14-15,31H2,1-3H3,(H,32,36)(H,34,35)/t17-,18+,24-/m0/s1
SMILES: CC(CC(=O)CO[C@@H]1[C@H]2[C@H]([C@@H]([C@@H]([C@H]1O)O)O)NC(=O)C3=C(C4=C(C=C23)OCO4)O)O
InChI: InChI=1S/C19H23NO10/c1-6(21)2-7(22)4-28-18-10-8-3-9-17(30-5-29-9)13(23)11(8)19(27)20-12(10)14(24)15(25)16(18)26/h3,6,10,12,14-16,18,21,23-26H,2,4-5H2,1H3,(H,20,27)/t6?,10-,12-,14+,15+,16-,18-/m1/s1
SMILES: COC1=C(C=C(C=C1)C(=O)N/N=C\[C@@H]2C[C@H]3CC[C@@H]2C3)OC
InChI: InChI=1S/C17H22N2O3/c1-21-15-6-5-13(9-16(15)22-2)17(20)19-18-10-14-8-11-3-4-12(14)7-11/h5-6,9-12,14H,3-4,7-8H2,1-2H3,(H,19,20)/b18-10-/t11-,12+,14-/m0/s1
SMILES: CN1C(=O)[C@@H]2[C@@H](N(O[C@@H]2C1=O)C3=CC=C(C=C3)Cl)C4=CC=CS4
InChI: InChI=1S/C16H13ClN2O3S/c1-18-15(20)12-13(11-3-2-8-23-11)19(22-14(12)16(18)21)10-6-4-9(17)5-7-10/h2-8,12-14H,1H3/t12-,13+,14+/m1/s1
SMILES: CC1=C2[C@@H]([C@H]([C@@](CC2=NO1)(C)O)C(=O)C)C3=CC(=C(C=C3)OC)OC
InChI: InChI=1S/C19H23NO5/c1-10(21)18-17(12-6-7-14(23-4)15(8-12)24-5)16-11(2)25-20-13(16)9-19(18,3)22/h6-8,17-18,22H,9H2,1-5H3/t17-,18+,19-/m0/s1
SMILES: C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)C4[C@@]3(C[C@H]([C@H](C4)OC)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)(C)OC)O)O
InChI: InChI=1S/C30H52O7/c1-16(25(32)26(33)17(2)28(3,4)36-8)19-9-10-20-18-15-37-27(34)22-13-24(35-7)23(31)14-30(22,6)21(18)11-12-29(19,20)5/h16-26,31-33H,9-15H2,1-8H3/t16-,17+,18-,19+,20-,21-,22?,23+,24-,25+,26+,29+,30+/m0/s1
SMILES: CCO[C@@H]1[C@H]([C@@H]([C@@H](O1)C=C(C)C)O)[C@H]2CC[C@@]3([C@@]2(CC[C@]45[C@H]3CC[C@@H]6[C@]4(C5)CCC(=O)C6(C)C)C)C
InChI: InChI=1S/C32H50O4/c1-8-35-27-25(26(34)21(36-27)17-19(2)3)20-11-13-30(7)23-10-9-22-28(4,5)24(33)12-14-31(22)18-32(23,31)16-15-29(20,30)6/h17,20-23,25-27,34H,8-16,18H2,1-7H3/t20-,21+,22+,23+,25+,26-,27+,29-,30+,31-,32+/m1/s1
SMILES: C[C@@H](C1CC[C@@]2([C@@]1(CCC3C2=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)C)O)[C@@H](CCC(C)(C)O)OP(=O)(O)O
InChI: InChI=1S/C27H45O9P/c1-15(23(36-37(33,34)35)8-9-24(2,3)31)16-7-11-27(32)18-12-20(28)19-13-21(29)22(30)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19,21-23,29-32H,6-11,13-14H2,1-5H3,(H2,33,34,35)/t15-,16?,17?,19-,21+,22-,23+,25+,26+,27+/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H](C([C@H]1N2CCCC2)(C)C)C(=O)OCC
InChI: InChI=1S/C16H27NO4/c1-5-20-14(18)11-12(15(19)21-6-2)16(3,4)13(11)17-9-7-8-10-17/h11-13H,5-10H2,1-4H3/t11-,12+,13+/m1/s1
SMILES: C1=CC=C(C=C1)C(=O)[C@H]2[C@H](NC(=S)N[C@]2(C(F)(F)F)O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI: InChI=1S/C18H14F3N3O4S/c19-18(20,21)17(26)13(15(25)11-4-2-1-3-5-11)14(22-16(29)23-17)10-6-8-12(9-7-10)24(27)28/h1-9,13-14,26H,(H2,22,23,29)/t13-,14-,17+/m1/s1
SMILES: C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@@H](S2)CO)O)O)[N+](=O)[O-]
InChI: InChI=1S/C9H11N3O7S/c13-2-4-5(14)6(15)8(20-4)11-1-3(12(18)19)7(16)10-9(11)17/h1,4-6,8,13-15H,2H2,(H,10,16,17)/t4-,5+,6+,8+/m0/s1
SMILES: C[C@@H]1C(=O)O[C@@H]2[C@]1([C@@]34C(=O)O[C@H]5[C@@]3([C@H]2O)[C@]6([C@@H]([C@@H]5O)C(C)(C)C)[C@H](C(=O)O[C@H]6O4)OCC7=CC=CC=C7)O
InChI: InChI=1S/C27H30O11/c1-11-19(30)35-17-15(29)25-16-13(28)14(23(2,3)4)24(25)18(34-10-12-8-6-5-7-9-12)20(31)37-22(24)38-27(25,21(32)36-16)26(11,17)33/h5-9,11,13-18,22,28-29,33H,10H2,1-4H3/t11-,13+,14+,15+,16-,17+,18+,22+,24-,25+,26-,27-/m1/s1
SMILES: C[C@H]1[C@@H]2CC[C@]3(CC4=C([C@H]([C@@H]3[C@H]2OC1=O)C)N=C(S4)NCCC5=CC=CC=N5)C
InChI: InChI=1S/C23H29N3O2S/c1-13-16-7-9-23(3)12-17-19(14(2)18(23)20(16)28-21(13)27)26-22(29-17)25-11-8-15-6-4-5-10-24-15/h4-6,10,13-14,16,18,20H,7-9,11-12H2,1-3H3,(H,25,26)/t13-,14-,16-,18+,20-,23-/m0/s1
SMILES: C[C@@]12CCCC([C@H]1CCC(=C)[C@H]2CC3=C(C=CC(=C3)OC4CCCCO4)OC5CCCCO5)(C)C
InChI: InChI=1S/C31H46O4/c1-22-12-15-27-30(2,3)16-9-17-31(27,4)25(22)21-23-20-24(34-28-10-5-7-18-32-28)13-14-26(23)35-29-11-6-8-19-33-29/h13-14,20,25,27-29H,1,5-12,15-19,21H2,2-4H3/t25-,27-,28?,29?,31+/m1/s1
SMILES: CC(=O)[C@H]1[C@@H]2CC[C@H]([C@]2(C(=O)C[C@H]1CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)C)OCC5=CC=CC=C5
InChI: InChI=1S/C36H44O4Si/c1-26(37)34-28(23-32(38)36(5)31(34)21-22-33(36)39-24-27-15-9-6-10-16-27)25-40-41(35(2,3)4,29-17-11-7-12-18-29)30-19-13-8-14-20-30/h6-20,28,31,33-34H,21-25H2,1-5H3/t28-,31-,33+,34+,36+/m0/s1
SMILES: C1[C@H]([C@H](OC2=C1C(=CC3=C2C4(COC(C4(O3)O)[C@@H](CO)O)O)O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O
InChI: InChI=1S/C28H26O16/c29-7-17(35)25-28(40)27(39,8-41-25)20-18(44-28)6-12(30)11-5-19(42-26(38)10-3-15(33)22(37)16(34)4-10)23(43-24(11)20)9-1-13(31)21(36)14(32)2-9/h1-4,6,17,19,23,25,29-37,39-40H,5,7-8H2/t17-,19-,23-,25?,27?,28?/m1/s1
SMILES: C1[C@H]([C@H](OC2=C1C(=C(C(=C2)O)CC3=C(C4=C(C=C3O)OC([C@@H](C4)OC(=O)C5=CC(=C(C(=C5)O)O)O)C6=CC(=C(C(=C6)O)O)O)O)O)C7=CC(=C(C(=C7)O)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O
InChI: InChI=1S/C45H36O22/c46-22-12-32-20(10-34(42(64-32)14-1-24(48)38(58)25(49)2-14)66-44(62)16-5-28(52)40(60)29(53)6-16)36(56)18(22)9-19-23(47)13-33-21(37(19)57)11-35(43(65-33)15-3-26(50)39(59)27(51)4-15)67-45(63)17-7-30(54)41(61)31(55)8-17/h1-8,12-13,34-35,42-43,46-61H,9-11H2/t34-,35-,42-,43?/m1/s1
SMILES: COC1=CC=CC=C1CCN([C@@H]2CC(=C[C@@H]([C@H]2O)OC3=C(C=C(C=C3I)CO)OC)C(=O)NCCO)C(=O)CCC=C
InChI: InChI=1S/C31H39IN2O8/c1-4-5-10-28(37)34(13-11-21-8-6-7-9-25(21)40-2)24-17-22(31(39)33-12-14-35)18-26(29(24)38)42-30-23(32)15-20(19-36)16-27(30)41-3/h4,6-9,15-16,18,24,26,29,35-36,38H,1,5,10-14,17,19H2,2-3H3,(H,33,39)/t24-,26+,29+/m1/s1
SMILES: C1CN(CC1O)C[C@H]2C[C@H]3[C@H](O2)C4=C(CC5=CC=CC=C35)C=CC(=C4)F
InChI: InChI=1S/C22H24FNO2/c23-16-6-5-15-9-14-3-1-2-4-19(14)21-11-18(26-22(21)20(15)10-16)13-24-8-7-17(25)12-24/h1-6,10,17-18,21-22,25H,7-9,11-13H2/t17?,18-,21-,22-/m1/s1
SMILES: C1CC(C1)C(=O)N(CCN2CCOCC2)[C@@H]3CC(=C[C@@H]([C@H]3O)OC4=CC=CC=C4I)C(=O)NCCO
InChI: InChI=1S/C26H36IN3O6/c27-20-6-1-2-7-22(20)36-23-17-19(25(33)28-8-13-31)16-21(24(23)32)30(26(34)18-4-3-5-18)10-9-29-11-14-35-15-12-29/h1-2,6-7,17-18,21,23-24,31-32H,3-5,8-16H2,(H,28,33)/t21-,23+,24+/m1/s1
SMILES: C1CC[C@@H]([C@@H](C1)N=CC2=CC=CC=N2)N=CC3=CC=CC=N3
InChI: InChI=1S/C18H20N4/c1-2-10-18(22-14-16-8-4-6-12-20-16)17(9-1)21-13-15-7-3-5-11-19-15/h3-8,11-14,17-18H,1-2,9-10H2/t17-,18+
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C4(OCCO4)CO)CC[C@@H]5[C@@]3(C[C@@H]([C@H](C5)O)N6CCOCC6)C
InChI: InChI=1S/C27H45NO5/c1-25-8-7-21-19(20(25)5-6-24(25)27(17-29)32-13-14-33-27)4-3-18-15-23(30)22(16-26(18,21)2)28-9-11-31-12-10-28/h18-24,29-30H,3-17H2,1-2H3/t18-,19-,20-,21-,22-,23-,24-,25-,26-/m0/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@@]23CN(C(=O)O3)C[C@H]4CCCO4)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)C6=CC=C(S6)C)C
InChI: InChI=1S/C34H43NO5S/c1-22-6-4-15-33(3)29(14-16-34(33)21-35(32(38)40-34)20-26-7-5-17-39-26)27-12-10-24(18-25(36)11-8-22)19-28(27)31(37)30-13-9-23(2)41-30/h6,9-10,12-13,19,25-26,29,36H,4-5,7-8,11,14-18,20-21H2,1-3H3/t25-,26+,29-,33-,34+/m0/s1
SMILES: CC(C)C(=O)[C@@H]1C(=O)[C@@](CC([C@@]1(C)CCC=C(C)C)CC=C(C)C)(CC=C(C)C)C(=O)OC
InChI: InChI=1S/C29H46O4/c1-19(2)12-11-16-28(9)23(14-13-20(3)4)18-29(27(32)33-10,17-15-21(5)6)26(31)24(28)25(30)22(7)8/h12-13,15,22-24H,11,14,16-18H2,1-10H3/t23?,24-,28-,29+/m1/s1
SMILES: C1CC(=O)[C@@H]2[C@H](NC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)NC2=C1)C5=C(C=CC=C5Cl)Cl
InChI: InChI=1S/C26H20Cl2N2O2/c27-17-8-4-9-18(28)23(17)25-24-20(10-5-11-22(24)31)29-21-14-16(12-13-19(21)30-25)26(32)15-6-2-1-3-7-15/h1-4,6-10,12-14,24-25,29-30H,5,11H2/t24-,25-/m1/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=CC3=C(C=C2)N4CCC[C@@H]4C(=O)N3
InChI: InChI=1S/C22H29N3O4/c1-13-5-3-6-16(14(13)2)23-20(26)12-29-22(28)15-8-9-18-17(11-15)24-21(27)19-7-4-10-25(18)19/h8-9,11,13-14,16,19H,3-7,10,12H2,1-2H3,(H,23,26)(H,24,27)/t13-,14-,16-,19-/m1/s1
SMILES: C[C@H]1[C@@H](CC[C@H](N1C)CCCCCCCCC[C@H](CC(=O)OC)O)O
InChI: InChI=1S/C20H39NO4/c1-16-19(23)14-13-17(21(16)2)11-9-7-5-4-6-8-10-12-18(22)15-20(24)25-3/h16-19,22-23H,4-15H2,1-3H3/t16-,17+,18+,19+/m0/s1
SMILES: CCCC1=CC(=O)OC2=C1C=CC(=C2)OCC(=O)N3CC[C@]4(CCCC[C@@H]4C3)O
InChI: InChI=1S/C23H29NO5/c1-2-5-16-12-22(26)29-20-13-18(7-8-19(16)20)28-15-21(25)24-11-10-23(27)9-4-3-6-17(23)14-24/h7-8,12-13,17,27H,2-6,9-11,14-15H2,1H3/t17-,23+/m1/s1
SMILES: C[C@@H]1[C@H](N(C(O1)(C)C)/C(=C(\[N+]#N)/S(=O)(=O)C2=CC=CC=C2)/O)CO[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C21H33N3O5SSi/c1-15-17(14-28-31(7,8)20(2,3)4)24(21(5,6)29-15)19(25)18(23-22)30(26,27)16-12-10-9-11-13-16/h9-13,15,17H,14H2,1-8H3/p+1/b19-18-/t15-,17-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC(=O)NC2=O)CCC4=C3C=CC(=C4)OC
InChI: InChI=1S/C19H23NO3/c1-19-8-7-14-13-6-4-12(23-2)9-11(13)3-5-15(14)16(19)10-17(21)20-18(19)22/h4,6,9,14-16H,3,5,7-8,10H2,1-2H3,(H,20,21,22)/t14-,15-,16+,19+/m1/s1