EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@H](CC(=O)N1[C@@H]2[C@@H](CC3=CC=CC=C23)OC1=O)[Si](C)(C)C4=CC=CC=C4
InChI: InChI=1S/C22H25NO3Si/c1-15(27(2,3)17-10-5-4-6-11-17)13-20(24)23-21-18-12-8-7-9-16(18)14-19(21)26-22(23)25/h4-12,15,19,21H,13-14H2,1-3H3/t15-,19-,21+/m1/s1
SMILES: C[C@@]1(CCC[C@@H]2[C@@H]1[C@@H](CCC2)C3=CC=CC=C3)OC(=O)/C(=N/OCC4=CC=CC=C4)/CC5=CC(=C(C(=C5OCC6=CC=CC=C6)Br)OC)Br
InChI: InChI=1S/C41H43Br2NO5/c1-41(23-13-21-31-20-12-22-33(36(31)41)30-18-10-5-11-19-30)49-40(45)35(44-48-27-29-16-8-4-9-17-29)25-32-24-34(42)39(46-2)37(43)38(32)47-26-28-14-6-3-7-15-28/h3-11,14-19,24,31,33,36H,12-13,20-23,25-27H2,1-2H3/b44-35+/t31-,33+,36-,41+/m1/s1
SMILES: CC1=CC=C(C=C1)OC[C@@H]2[C@H](CC(O2)N3C=C(C(=O)NC3=O)[N+](=O)[O-])OC4=CC=C(C=C4)C
InChI: InChI=1S/C23H23N3O7/c1-14-3-7-16(8-4-14)31-13-20-19(32-17-9-5-15(2)6-10-17)11-21(33-20)25-12-18(26(29)30)22(27)24-23(25)28/h3-10,12,19-21H,11,13H2,1-2H3,(H,24,27,28)/t19-,20+,21?/m0/s1
SMILES: CCN(CC)CCC1=C(C2=C(C(=C(C=C2)OC3[C@@H]([C@H](C([C@](O3)(CO)O)OC4[C@@H]([C@H]([C@H]([C@](O4)(CO)O)O)O)O)O)O)O)OC1=O)C
InChI: InChI=1S/C28H41NO16/c1-4-29(5-2)9-8-14-12(3)13-6-7-15(16(32)21(13)42-24(14)38)41-25-20(36)18(34)23(28(40,11-31)45-25)43-26-19(35)17(33)22(37)27(39,10-30)44-26/h6-7,17-20,22-23,25-26,30-37,39-40H,4-5,8-11H2,1-3H3/t17-,18-,19-,20-,22-,23?,25?,26?,27-,28-/m1/s1
SMILES: C1=CC=C(C=C1)CN(CC2=CC=CC=C2)/C=N/C3=NC4=C(C(=N3)OCCOCCN=[N+]=[N-])N=CN4[C@H]5[C@H]6[C@@H]([C@H](O5)CO)OC(O6)C7=CC=CC=C7
InChI: InChI=1S/C36H37N9O6/c37-43-40-16-17-47-18-19-48-33-29-32(41-36(42-33)39-23-44(20-25-10-4-1-5-11-25)21-26-12-6-2-7-13-26)45(24-38-29)34-31-30(28(22-46)49-34)50-35(51-31)27-14-8-3-9-15-27/h1-15,23-24,28,30-31,34-35,46H,16-22H2/b39-23+/t28-,30-,31-,34-,35?/m1/s1
SMILES: C1[C@@H]([C@@H](CC2=C1C=CC=C2C#CC3=CC=CC4=C3C[C@H]([C@H](C4)O)O)O)O
InChI: InChI=1S/C22H22O4/c23-19-9-15-5-1-3-13(17(15)11-21(19)25)7-8-14-4-2-6-16-10-20(24)22(26)12-18(14)16/h1-6,19-26H,9-12H2/t19-,20-,21+,22+/m0/s1
SMILES: C[C@H]1CCC[C@@H]([C@H]1C)NC(=O)COC(=O)C2=CC=CC(=C2N)C
InChI: InChI=1S/C18H26N2O3/c1-11-6-5-9-15(13(11)3)20-16(21)10-23-18(22)14-8-4-7-12(2)17(14)19/h4,7-8,11,13,15H,5-6,9-10,19H2,1-3H3,(H,20,21)/t11-,13-,15-/m0/s1
SMILES: COC1=CC(=C(C(=C1)OC)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)NC6=CC=C(C=C6)F)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)CC8=CC=CS8)O
InChI: InChI=1S/C39H33ClFN3O7S/c1-50-24-16-30(45)33(31(17-24)51-2)34-26-13-14-27-32(37(48)43(35(27)46)19-25-4-3-15-52-25)28(26)18-29-36(47)44(42-23-11-9-22(41)10-12-23)38(49)39(29,34)20-5-7-21(40)8-6-20/h3-13,15-17,27-29,32,34,42,45H,14,18-19H2,1-2H3/t27-,28+,29-,32-,34+,39+/m0/s1
SMILES: CC[C@H]1[C@H]2CCN1[C@H](C2)[C@@H](C3=C4C=C(C=CC4=NC=C3)OCC)O
InChI: InChI=1S/C20H26N2O2/c1-3-18-13-8-10-22(18)19(11-13)20(23)15-7-9-21-17-6-5-14(24-4-2)12-16(15)17/h5-7,9,12-13,18-20,23H,3-4,8,10-11H2,1-2H3/t13-,18-,19+,20+/m0/s1
SMILES: COC1=CC=C(C=C1)[C@H]2[C@](N(C(=O)O2)CCC3=CC=C(C=C3)Cl)(C4=CC=C(C=C4)OC)O
InChI: InChI=1S/C25H24ClNO5/c1-30-21-11-5-18(6-12-21)23-25(29,19-7-13-22(31-2)14-8-19)27(24(28)32-23)16-15-17-3-9-20(26)10-4-17/h3-14,23,29H,15-16H2,1-2H3/t23-,25-/m0/s1
SMILES: CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C3CCCCC3)NC(=O)NC4(CCCCC4)CS(=O)(=O)C(C)(C)C)C(=O)N[C@@H](CC(F)F)C(=O)NCCC5=C(C=C(C=C5F)C(=O)OC)F)C
InChI: InChI=1S/C42H61F4N5O8S/c1-40(2,3)60(57,58)23-42(16-11-8-12-17-42)50-39(56)49-33(24-13-9-7-10-14-24)37(54)51-22-27-32(41(27,4)5)34(51)36(53)48-30(21-31(45)46)35(52)47-18-15-26-28(43)19-25(20-29(26)44)38(55)59-6/h19-20,24,27,30-34H,7-18,21-23H2,1-6H3,(H,47,52)(H,48,53)(H2,49,50,56)/t27-,30-,32-,33-,34-/m0/s1
SMILES: C1C=CC[C@@H]2[C@@H]1C(=O)N(C2=O)CC(=O)OCC(=O)NC3=CC=CC4=NSN=C43
InChI: InChI=1S/C18H16N4O5S/c23-14(19-12-6-3-7-13-16(12)21-28-20-13)9-27-15(24)8-22-17(25)10-4-1-2-5-11(10)18(22)26/h1-3,6-7,10-11H,4-5,8-9H2,(H,19,23)/t10-,11-/m1/s1
SMILES: COC(=O)C1=CC(=CC=C1)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]3C2=O)C45CC5
InChI: InChI=1S/C19H17NO4/c1-24-18(23)10-3-2-4-11(9-10)20-16(21)14-12-5-6-13(15(14)17(20)22)19(12)7-8-19/h2-6,9,12-15H,7-8H2,1H3/t12-,13+,14+,15-
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1CCC2=CCCC[C@]23CC[C@H]1O3
InChI: InChI=1S/C19H34O2Si/c1-18(2,3)22(4,5)20-14-15-9-10-16-8-6-7-12-19(16)13-11-17(15)21-19/h8,15,17H,6-7,9-14H2,1-5H3/t15-,17+,19-/m0/s1
SMILES: CCOC(=O)C1=C(C2[C@@H]3[C@@H](C1([C@@H]4[C@@H]2C(=O)N(C4=O)C5=CC(=C(C=C5)Cl)Cl)C)C(=O)N(C3=O)C6=CC(=C(C=C6)Cl)Cl)C
InChI: InChI=1S/C29H22Cl4N2O6/c1-4-41-28(40)21-11(2)18-19-22(26(38)34(24(19)36)12-5-7-14(30)16(32)9-12)29(21,3)23-20(18)25(37)35(27(23)39)13-6-8-15(31)17(33)10-13/h5-10,18-20,22-23H,4H2,1-3H3/t18?,19-,20-,22-,23-,29?/m1/s1
SMILES: CC(=C(C1[C@@H]2[C@H]1[C@H]3C4=CC=CC=C4[C@@H]2N3C(=O)OC(C)(C)C)OC(=O)C)C
InChI: InChI=1S/C22H27NO4/c1-11(2)20(26-12(3)24)17-15-16(17)19-14-10-8-7-9-13(14)18(15)23(19)21(25)27-22(4,5)6/h7-10,15-19H,1-6H3/t15-,16+,17?,18-,19+
SMILES: CCC[C@@H]1[C@@H]([NH2+][C@@H]([C@@H]([C@@]1(CC(=C)C)O)C)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C25H33NO/c1-5-12-22-24(21-15-10-7-11-16-21)26-23(20-13-8-6-9-14-20)19(4)25(22,27)17-18(2)3/h6-11,13-16,19,22-24,26-27H,2,5,12,17H2,1,3-4H3/p+1/t19-,22+,23-,24-,25+/m0/s1
SMILES: CC(C)OC(=O)[C@@H]1[C@H]([C@H]([C@](CC1=O)(C)O)C(=O)OC(C)C)C2=CC(=CC=C2)OC
InChI: InChI=1S/C22H30O7/c1-12(2)28-20(24)18-16(23)11-22(5,26)19(21(25)29-13(3)4)17(18)14-8-7-9-15(10-14)27-6/h7-10,12-13,17-19,26H,11H2,1-6H3/t17-,18+,19+,22-/m1/s1
SMILES: CCCOC(=O)[C@H]1[C@H]2C=C[C@]3([C@@H]1C(=O)N(C3)CC4=CC=CC=C4)O2
InChI: InChI=1S/C19H21NO4/c1-2-10-23-18(22)15-14-8-9-19(24-14)12-20(17(21)16(15)19)11-13-6-4-3-5-7-13/h3-9,14-16H,2,10-12H2,1H3/t14-,15+,16+,19+/m1/s1
SMILES: C[C@]1(CC(=C[C@@]([C@@H]1C(=O)C(C)(C)C)(C(C)(C)C)O)C2=CC=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C28H36O2/c1-25(2,3)24(29)23-27(7,22-16-12-9-13-17-22)18-21(20-14-10-8-11-15-20)19-28(23,30)26(4,5)6/h8-17,19,23,30H,18H2,1-7H3/t23-,27+,28-/m1/s1
SMILES: CCCO[C@H]1[C@@H](O[C@H]([C@@H]([C@@H]1OS(=O)(=O)O)OS(=O)(=O)O)OC)C
InChI: InChI=1S/C10H20O11S2/c1-4-5-18-7-6(2)19-10(17-3)9(21-23(14,15)16)8(7)20-22(11,12)13/h6-10H,4-5H2,1-3H3,(H,11,12,13)(H,14,15,16)/t6-,7-,8+,9+,10+/m0/s1
SMILES: CC(=O)OC1=CC=C(C=C1)[C@H]2[C@@H]3CC=C[C@@H]3C4=C(N2)C(=CC=C4)C(=O)[O-]
InChI: InChI=1S/C21H19NO4/c1-12(23)26-14-10-8-13(9-11-14)19-16-5-2-4-15(16)17-6-3-7-18(21(24)25)20(17)22-19/h2-4,6-11,15-16,19,22H,5H2,1H3,(H,24,25)/p-1/t15-,16+,19-/m0/s1
SMILES: C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N(CC6=CC=CC=C6)CC7=CC=CC=C7)O
InChI: InChI=1S/C41H41NO10/c1-22-36(44)28(42(20-24-11-6-4-7-12-24)21-25-13-8-5-9-14-25)17-31(51-22)52-30-19-41(49,23(2)43)18-27-33(30)40(48)35-34(38(27)46)37(45)26-15-10-16-29(50-3)32(26)39(35)47/h4-16,22,28,30-31,36,44,46,48-49H,17-21H2,1-3H3/t22-,28-,30-,31-,36-,41-/m0/s1
SMILES: CC1=CC=C(C=C1)NN2C(=O)[C@@H]3C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]([C@@]3(C2=O)C6=CC=CC=C6)C7=C(C8=CC=CC=C8C=C7)O)C(=O)N(C5=O)C(C)(C)C
InChI: InChI=1S/C41H39N3O5/c1-23-14-17-26(18-15-23)42-44-37(47)32-22-31-28(20-21-29-33(31)38(48)43(36(29)46)40(2,3)4)34(41(32,39(44)49)25-11-6-5-7-12-25)30-19-16-24-10-8-9-13-27(24)35(30)45/h5-20,29,31-34,42,45H,21-22H2,1-4H3/t29-,31+,32-,33-,34+,41+/m0/s1
SMILES: C[C@H]1[C@H]2[C@@H]([C@H]([C@@H](O1)OC)OC(=O)NC3CCCCC3)O[C@@H](O2)C(Cl)(Cl)Cl
InChI: InChI=1S/C16H24Cl3NO6/c1-8-10-11(25-14(24-10)16(17,18)19)12(13(22-2)23-8)26-15(21)20-9-6-4-3-5-7-9/h8-14H,3-7H2,1-2H3,(H,20,21)/t8-,10-,11-,12+,13+,14+/m0/s1
SMILES: CC(=O)[C@@H]1[C@H]2[C@@H]([C@@H]3N1C=CC4=CC=CC=C34)C(=O)N(C2=O)C5=CC=CC=C5
InChI: InChI=1S/C22H18N2O3/c1-13(25)19-17-18(20-16-10-6-5-7-14(16)11-12-23(19)20)22(27)24(21(17)26)15-8-3-2-4-9-15/h2-12,17-20H,1H3/t17-,18+,19-,20-/m1/s1
SMILES: CC[C@H]1[C@@H](C(=O)CO1)NC(=O)[C@H](CC2CCCCCC2)NC(=O)N3CCOCC3
InChI: InChI=1S/C21H35N3O5/c1-2-18-19(17(25)14-29-18)23-20(26)16(13-15-7-5-3-4-6-8-15)22-21(27)24-9-11-28-12-10-24/h15-16,18-19H,2-14H2,1H3,(H,22,27)(H,23,26)/t16-,18-,19+/m0/s1
SMILES: CC(=O)[C@@H]1CC[C@@]2([C@@H](C1)CC[C@@H]3[C@@H]2CC[C@@]4([C@@H]3CCC4=O)C)C
InChI: InChI=1S/C21H32O2/c1-13(22)14-8-10-20(2)15(12-14)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h14-18H,4-12H2,1-3H3/t14-,15-,16+,17-,18+,20-,21-/m1/s1
SMILES: [B][P@@](=O)(OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)OP(=O)(O)O.N
InChI: InChI=1S/C10H14BN5O9P2.H3N/c11-26(19,25-27(20,21)22)23-1-4-6(17)7(18)10(24-4)16-3-15-5-8(12)13-2-14-9(5)16;/h2-4,6-7,10,17-18H,1H2,(H2,12,13,14)(H2,20,21,22);1H3/t4-,6-,7-,10-,26-;/m1./s1
SMILES: C[C@H](CCC=C(C)C)[C@@H]1CC[C@]2([C@]1(CC[C@@]3([C@@H]2CCC(=C(C)C)[C@H]3CCCOC(=O)C)C)C)C
InChI: InChI=1S/C32H54O2/c1-22(2)12-10-13-24(5)27-17-18-32(9)29-16-15-26(23(3)4)28(14-11-21-34-25(6)33)30(29,7)19-20-31(27,32)8/h12,24,27-29H,10-11,13-21H2,1-9H3/t24-,27+,28-,29+,30+,31+,32-/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@]2([C@@H]3CC[C@]4([C@H]([C@H]3CC=C2C1)CCC4=O)C)C
InChI: InChI=1S/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-18H,5-12H2,1-3H3/t15-,16+,17-,18+,20+,21-/m0/s1
SMILES: CCOC(=O)[C@@H]1[C@H]2C[C@@](N(C1=O)C)(OC3=C2C=C(C=C3)OC)C
InChI: InChI=1S/C17H21NO5/c1-5-22-16(20)14-12-9-17(2,18(3)15(14)19)23-13-7-6-10(21-4)8-11(12)13/h6-8,12,14H,5,9H2,1-4H3/t12-,14+,17-/m0/s1
SMILES: C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@H]([C@H]2O)F)CCC4=C3C=CC(=C4F)O)OC
InChI: InChI=1S/C19H24F2O3/c1-19-8-15(24-2)16-9-5-6-14(22)17(21)10(9)3-4-11(16)12(19)7-13(20)18(19)23/h5-6,11-13,15-16,18,22-23H,3-4,7-8H2,1-2H3/t11-,12-,13+,15-,16+,18+,19-/m0/s1
SMILES: C[C@]12CCC(=O)C=C1C[C@H](C3[C@@H]2[C@@H](C[C@@]4([C@@H]3CC[C@@]45CCC(=O)O5)C)O)C(=O)OC
InChI: InChI=1S/C24H32O6/c1-22-7-4-14(25)10-13(22)11-15(21(28)29-3)19-16-5-8-24(9-6-18(27)30-24)23(16,2)12-17(26)20(19)22/h10,15-17,19-20,26H,4-9,11-12H2,1-3H3/t15-,16-,17-,19?,20+,22+,23-,24-/m1/s1
SMILES: CCN(CC)C1=CC=C(C=C1)C(=O)N/N=C\2/C[C@@H]3[C@H]2C=CC3
InChI: InChI=1S/C18H23N3O/c1-3-21(4-2)15-10-8-13(9-11-15)18(22)20-19-17-12-14-6-5-7-16(14)17/h5,7-11,14,16H,3-4,6,12H2,1-2H3,(H,20,22)/b19-17-/t14-,16-/m1/s1
SMILES: CCC(CC)NC(=O)[C@H]1[C@H]2C[C@@](N(C1=O)C)(OC3=CC=CC=C23)C
InChI: InChI=1S/C19H26N2O3/c1-5-12(6-2)20-17(22)16-14-11-19(3,21(4)18(16)23)24-15-10-8-7-9-13(14)15/h7-10,12,14,16H,5-6,11H2,1-4H3,(H,20,22)/t14-,16+,19-/m0/s1
SMILES: CCOCCOC[C@@]1(C[C@@H]2[C@H](O1)[C@@H]3[C@H](CO2)OC(O3)(C)C)C(=O)OC
InChI: InChI=1S/C17H28O8/c1-5-20-6-7-21-10-17(15(18)19-4)8-11-13(25-17)14-12(9-22-11)23-16(2,3)24-14/h11-14H,5-10H2,1-4H3/t11-,12+,13+,14+,17+/m1/s1
SMILES: CC1=CC(=C(C=C1)C)N2C(=O)[C@@H]3C4C5=CC=CC=C5C([C@@]3(C2=O)C)C6=CC=CC=C46
InChI: InChI=1S/C27H23NO2/c1-15-12-13-16(2)21(14-15)28-25(29)24-22-17-8-4-6-10-19(17)23(27(24,3)26(28)30)20-11-7-5-9-18(20)22/h4-14,22-24H,1-3H3/t22?,23?,24-,27-/m0/s1
SMILES: COC1=CC=C(C=C1)N2[C@H]([C@H](C2=O)N3[C@@H](COC3=O)C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C25H22N2O4/c1-30-20-14-12-19(13-15-20)26-22(18-10-6-3-7-11-18)23(24(26)28)27-21(16-31-25(27)29)17-8-4-2-5-9-17/h2-15,21-23H,16H2,1H3/t21-,22-,23+/m0/s1
SMILES: COC1=C(C(=CC(=C1)C=O)I)O[C@H]2C=C(C[C@H]([C@@H]2O)N(C[C@H]3CCCO3)C(=O)C4CCCC4)C(=O)NCCO
InChI: InChI=1S/C28H37IN2O8/c1-37-24-12-17(16-33)11-21(29)26(24)39-23-14-19(27(35)30-8-9-32)13-22(25(23)34)31(15-20-7-4-10-38-20)28(36)18-5-2-3-6-18/h11-12,14,16,18,20,22-23,25,32,34H,2-10,13,15H2,1H3,(H,30,35)/t20-,22-,23+,25+/m1/s1
SMILES: CC1=C(C2=C(C=C1)[C@@]3([C@H]4[C@@H]([C@H](N3)CC(=O)N)C(=O)N(C4=O)CC5=CC=CC=C5)C(=O)N2)C
InChI: InChI=1S/C24H24N4O4/c1-12-8-9-15-20(13(12)2)26-23(32)24(15)19-18(16(27-24)10-17(25)29)21(30)28(22(19)31)11-14-6-4-3-5-7-14/h3-9,16,18-19,27H,10-11H2,1-2H3,(H2,25,29)(H,26,32)/t16-,18-,19+,24-/m1/s1
SMILES: C1=CC=C(C=C1)[P@@]2(=O)[C@@H](C3=C(O2)C4=CC=CC=C4C=C3)NC5=CC=NC=C5
InChI: InChI=1S/C22H17N2O2P/c25-27(18-7-2-1-3-8-18)22(24-17-12-14-23-15-13-17)20-11-10-16-6-4-5-9-19(16)21(20)26-27/h1-15,22H,(H,23,24)/t22-,27-/m0/s1
SMILES: CC1=C(C=C(C=C1)Cl)NC(=O)[C@H]2[C@H](NC(=O)NC2=C)C3=CC=CC4=CC=CC=C43
InChI: InChI=1S/C23H20ClN3O2/c1-13-10-11-16(24)12-19(13)26-22(28)20-14(2)25-23(29)27-21(20)18-9-5-7-15-6-3-4-8-17(15)18/h3-12,20-21H,2H2,1H3,(H,26,28)(H2,25,27,29)/t20-,21-/m1/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@@H]([C@H](O3)CN)O)N)O)O)N
InChI: InChI=1S/C18H38N6O9/c19-2-6-11(26)8(23)14(29)18(31-6)33-16-10(25)4(21)1-5(22)15(16)32-17-9(24)13(28)12(27)7(3-20)30-17/h4-18,25-29H,1-3,19-24H2/t4-,5+,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1C/C=C\[C@@H]([C@H](O[C@H]1C#CCO)COCC2=CC=CC=C2)OCC3=CC=CC=C3
InChI: InChI=1S/C31H42O5Si/c1-31(2,3)37(4,5)36-29-19-12-18-27(34-23-26-16-10-7-11-17-26)30(35-28(29)20-13-21-32)24-33-22-25-14-8-6-9-15-25/h6-12,14-18,27-30,32H,19,21-24H2,1-5H3/b18-12-/t27-,28-,29+,30+/m0/s1
SMILES: C1=CC=C2C3[C@@H]4[C@H](C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)C6=CC=C(C=C6)S(=O)(=O)NC7=NC=CS7
InChI: InChI=1S/C27H19N3O4S2/c31-25-23-21-17-5-1-2-6-18(17)22(20-8-4-3-7-19(20)21)24(23)26(32)30(25)15-9-11-16(12-10-15)36(33,34)29-27-28-13-14-35-27/h1-14,21-24H,(H,28,29)/t21?,22?,23-,24+
SMILES: C1=CC=C(C=C1)C(=O)[C@@H]2[C@@H](NC(=S)N[C@@]2(C(F)(F)F)O)C3=CN=CC=C3
InChI: InChI=1S/C17H14F3N3O2S/c18-17(19,20)16(25)12(14(24)10-5-2-1-3-6-10)13(22-15(26)23-16)11-7-4-8-21-9-11/h1-9,12-13,25H,(H2,22,23,26)/t12-,13-,16+/m0/s1
SMILES: C[C@H]1CC[C@@H]2C13[C@@H](C[C@@H](C3=C[C@@]4([C@H]2[C@@](CC4)(C)CC(C(=O)C(C)(C)O)O)C)C)O
InChI: InChI=1S/C25H40O4/c1-14-11-19(27)25-15(2)7-8-16(25)20-23(5,12-17(14)25)9-10-24(20,6)13-18(26)21(28)22(3,4)29/h12,14-16,18-20,26-27,29H,7-11,13H2,1-6H3/t14-,15-,16-,18?,19+,20-,23+,24+,25?/m0/s1
SMILES: CC(=O)O[C@@H]1CC[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/C21H34O4/c1-12(22)25-19-5-4-15-14-11-18(24)17-10-13(23)6-8-20(17,2)16(14)7-9-21(15,19)3/h13-19,23-24H,4-11H2,1-3H3/t13-,14-,15+,16-,17-,18+,19+,20+,21-/m0/s1
SMILES: CC1C[C@]2(C(=CC1=O)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)OC)C)CC=C(C4=CC=CC=C4)C5=CC=CC=C5
InChI: InChI=1S/C34H40O3/c1-24-23-34(21-18-28(25-12-7-5-8-13-25)26-14-9-6-10-15-26)27(22-29(24)35)16-17-30-32(2,31(36)37-4)19-11-20-33(30,34)3/h5-10,12-15,18,22,24,30H,11,16-17,19-21,23H2,1-4H3/t24?,30-,32+,33-,34-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OCCCBr
InChI: InChI=1S/C21H29BrO2/c1-21-10-9-17-16-6-4-15(24-12-2-11-22)13-14(16)3-5-18(17)19(21)7-8-20(21)23/h4,6,13,17-20,23H,2-3,5,7-12H2,1H3/t17-,18-,19+,20+,21+/m1/s1
SMILES: CCCCC/C=C\C=C\C(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC2[C@H](OC([C@@H]([C@H]2OC(=O)/C=C/C=C/CC(/C=C/C=C/CCC)O)O)C3=C(C=C(C=C3O)O)CO)CO)O)O)O
InChI: InChI=1S/C43H60O16/c1-3-5-7-9-10-12-16-20-33(49)55-26-32-36(51)37(52)38(53)43(57-32)59-40-31(25-45)56-41(35-27(24-44)22-29(47)23-30(35)48)39(54)42(40)58-34(50)21-17-13-15-19-28(46)18-14-11-8-6-4-2/h8,10-18,20-23,28,31-32,36-48,51-54H,3-7,9,19,24-26H2,1-2H3/b11-8+,12-10-,15-13+,18-14+,20-16+,21-17+/t28?,31-,32-,36+,37+,38-,39+,40?,41?,42-,43+/m1/s1
SMILES: C[C@H]([C@@]1(CN(C[C@H]1C2=CC(=C(C=C2)OC)OCC3CC3)C(=O)CO)C)O
InChI: InChI=1S/C20H29NO5/c1-13(23)20(2)12-21(19(24)10-22)9-16(20)15-6-7-17(25-3)18(8-15)26-11-14-4-5-14/h6-8,13-14,16,22-23H,4-5,9-12H2,1-3H3/t13-,16+,20+/m1/s1
SMILES: CCN(CC(=O)NC(C)(C)C)C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O
InChI: InChI=1S/C19H31N3O4/c1-5-21(12-15(23)20-19(2,3)4)16(24)10-11-22-17(25)13-8-6-7-9-14(13)18(22)26/h13-14H,5-12H2,1-4H3,(H,20,23)/t13-,14-/m0/s1
SMILES: COC(=O)C1=CC=CC=C1N2C(=O)[C@@H]3[C@@H](C2=O)C4C5=CC=CC=C5C3C6=CC=CC=C46
InChI: InChI=1S/C26H19NO4/c1-31-26(30)18-12-6-7-13-19(18)27-24(28)22-20-14-8-2-3-9-15(14)21(23(22)25(27)29)17-11-5-4-10-16(17)20/h2-13,20-23H,1H3/t20?,21?,22-,23-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CCCC[C@H]2NC3=C(C=CC(=C3)OC)OC
InChI: InChI=1S/C21H28N2O4S/c1-15-8-11-17(12-9-15)28(24,25)23-19-7-5-4-6-18(19)22-20-14-16(26-2)10-13-21(20)27-3/h8-14,18-19,22-23H,4-7H2,1-3H3/t18-,19-/m1/s1
SMILES: COC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)C=C(C5=O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C4=O)CCCCCC(=O)O)O
InChI: InChI=1S/C41H39NO8/c1-50-33-21-25(16-19-32(33)43)37-27-17-18-28-36(40(49)42(39(28)48)20-10-4-9-15-35(45)46)30(27)22-31-38(47)29(24-11-5-2-6-12-24)23-34(44)41(31,37)26-13-7-3-8-14-26/h2-3,5-8,11-14,16-17,19,21,23,28,30-31,36-37,43H,4,9-10,15,18,20,22H2,1H3,(H,45,46)/t28-,30+,31-,36-,37-,41-/m0/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)NC3=C(C=C(C=C3)Br)Br
InChI: InChI=1S/C17H19Br2N3O3/c1-10-4-2-3-7-17(10)15(24)22(16(25)21-17)9-14(23)20-13-6-5-11(18)8-12(13)19/h5-6,8,10H,2-4,7,9H2,1H3,(H,20,23)(H,21,25)/t10-,17-/m1/s1
SMILES: CCC[C@H]1[C@@H]([C@H](OC(O1)(C)C)[C@H](C)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)C
InChI: InChI=1S/C29H44O3Si/c1-9-16-26-23(3)27(32-29(7,8)31-26)22(2)21-30-33(28(4,5)6,24-17-12-10-13-18-24)25-19-14-11-15-20-25/h10-15,17-20,22-23,26-27H,9,16,21H2,1-8H3/t22-,23+,26+,27-/m1/s1
SMILES: C1CCC(C1)CCC(=O)N=C2N([C@@H]3CS(=O)(=O)C[C@H]3S2)CC4=CC=CC=C4
InChI: InChI=1S/C20H26N2O3S2/c23-19(11-10-15-6-4-5-7-15)21-20-22(12-16-8-2-1-3-9-16)17-13-27(24,25)14-18(17)26-20/h1-3,8-9,15,17-18H,4-7,10-14H2/t17-,18-/m1/s1
SMILES: C1=CC=C(C=C1)[C@H]2[C@@H]([C@@](NC(=O)N2)(C(F)(F)F)O)C(=O)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C18H14ClF3N2O3/c19-12-8-6-11(7-9-12)15(25)13-14(10-4-2-1-3-5-10)23-16(26)24-17(13,27)18(20,21)22/h1-9,13-14,27H,(H2,23,24,26)/t13-,14+,17+/m1/s1
SMILES: CC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(CC[C@@H]3[C@@H]2CCC4=CC(=O)CC[C@]34C)C)Br)O
InChI: InChI=1S/C21H29BrO3/c1-12(23)21(25)18(22)11-17-15-5-4-13-10-14(24)6-8-19(13,2)16(15)7-9-20(17,21)3/h10,15-18,25H,4-9,11H2,1-3H3/t15-,16+,17-,18+,19-,20-,21+/m0/s1
SMILES: C/C=C/C(=O)[C@@H](C)C1=CC(=O)C2=C(C1=O)OC34CC[C@@H](C([C@@H]3CC[C@@H]([C@]4(C2)C)C)(C)C)O
InChI: InChI=1S/C27H36O5/c1-7-8-19(28)16(3)17-13-20(29)18-14-26(6)15(2)9-10-21-25(4,5)22(30)11-12-27(21,26)32-24(18)23(17)31/h7-8,13,15-16,21-22,30H,9-12,14H2,1-6H3/b8-7+/t15-,16-,21-,22-,26+,27?/m0/s1
SMILES: C/C(=C\CCl)/[C@H]1[C@@H]([C@H](CC[C@]12CO2)OC(=O)C)OC(=O)C
InChI: InChI=1S/C15H21ClO5/c1-9(5-7-16)13-14(21-11(3)18)12(20-10(2)17)4-6-15(13)8-19-15/h5,12-14H,4,6-8H2,1-3H3/b9-5+/t12-,13-,14+,15-/m0/s1
SMILES: C1C[C@H]2C[C@@H]1C[C@@]23CC(=O)N(C3=O)CCCCN4CCN(CC4)C5=NC=CC=N5
InChI: InChI=1S/C22H31N5O2/c28-19-16-22(15-17-4-5-18(22)14-17)20(29)27(19)9-2-1-8-25-10-12-26(13-11-25)21-23-6-3-7-24-21/h3,6-7,17-18H,1-2,4-5,8-16H2/t17-,18+,22-/m1/s1
SMILES: CCOC(=O)C1=NN([C@@H]2[C@H]1C(=O)N(C2=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4
InChI: InChI=1S/C20H16BrN3O4/c1-2-28-20(27)16-15-17(24(22-16)14-6-4-3-5-7-14)19(26)23(18(15)25)13-10-8-12(21)9-11-13/h3-11,15,17H,2H2,1H3/t15-,17+/m0/s1
SMILES: C=CC1=CC[C@]2(C(=O)N(C(=O)[C@]2([C@H]1C3=COC4=C(C3)C=C(C=C4)O)Cl)CBr)Cl
InChI: InChI=1S/C20H16BrCl2NO4/c1-2-11-5-6-19(22)17(26)24(10-21)18(27)20(19,23)16(11)13-7-12-8-14(25)3-4-15(12)28-9-13/h2-5,8-9,16,25H,1,6-7,10H2/t16-,19-,20+/m1/s1
SMILES: COC1=CC=C(C=C1)/C=N\NC(=O)C2[C@@H]([C@H]2C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C24H22N2O2/c1-28-20-14-12-17(13-15-20)16-25-26-24(27)23-21(18-8-4-2-5-9-18)22(23)19-10-6-3-7-11-19/h2-16,21-23H,1H3,(H,26,27)/b25-16-/t21-,22-/m1/s1
SMILES: CCCCCCOC1=CC=CC=C1NC(=O)O[C@@H]2[C@@H]([C@@H]3CC[C@]2(C3(C)C)C)CN(CC)CC
InChI: InChI=1S/C28H46N2O3/c1-7-10-11-14-19-32-24-16-13-12-15-23(24)29-26(31)33-25-21(20-30(8-2)9-3)22-17-18-28(25,6)27(22,4)5/h12-13,15-16,21-22,25H,7-11,14,17-20H2,1-6H3,(H,29,31)/t21-,22+,25-,28-/m1/s1
SMILES: CCCN1C(=O)NN=C1SCC(=O)O[C@H]2C[C@H](CC[C@@H]2C(C)C)C
InChI: InChI=1S/C17H29N3O3S/c1-5-8-20-16(22)18-19-17(20)24-10-15(21)23-14-9-12(4)6-7-13(14)11(2)3/h11-14H,5-10H2,1-4H3,(H,18,22)/t12-,13+,14-/m0/s1
SMILES: COC1=C(C=CC(=C1)[C@H]2[C@@H](OC3=C(O2)C=C(C=C3)[C@@H]4[C@H](C(=O)C5=C(C=C(C=C5O4)O)O)O)CO[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O[C@@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O
InChI: InChI=1S/C37H42O20/c1-50-19-6-13(2-4-16(19)41)33-24(12-51-36-32(49)35(27(44)23(11-39)55-36)57-37-31(48)29(46)26(43)22(10-38)56-37)52-18-5-3-14(7-20(18)53-33)34-30(47)28(45)25-17(42)8-15(40)9-21(25)54-34/h2-9,22-24,26-27,29-44,46-49H,10-12H2,1H3/t22-,23-,24+,26-,27+,29+,30+,31-,32-,33+,34-,35+,36-,37-/m1/s1
SMILES: C[C@@H]1CC(=O)[C@H]([C@@H]1C[N+](=O)[O-])CC(=O)O[C@@H](C)C(=O)NC2=CC=CC=C2
InChI: InChI=1S/C18H22N2O6/c1-11-8-16(21)14(15(11)10-20(24)25)9-17(22)26-12(2)18(23)19-13-6-4-3-5-7-13/h3-7,11-12,14-15H,8-10H2,1-2H3,(H,19,23)/t11-,12+,14+,15-/m1/s1
SMILES: CCO[C@@H]1[C@H]([C@@H](C=C(O1)C(=O)N2CCOCCOCCOCCOCC2)C3=CC=CC=C3)CCOCCOCCO
InChI: InChI=1S/C30H47NO10/c1-2-40-30-26(8-12-34-16-19-37-15-11-32)27(25-6-4-3-5-7-25)24-28(41-30)29(33)31-9-13-35-17-20-38-22-23-39-21-18-36-14-10-31/h3-7,24,26-27,30,32H,2,8-23H2,1H3/t26-,27-,30-/m0/s1
SMILES: CC[C@H]1CN(CC[C@H]1CC(=O)N2CCC(CC2)O)S(=O)(=O)C3=C(ON=C3C)C
InChI: InChI=1S/C19H31N3O5S/c1-4-15-12-22(28(25,26)19-13(2)20-27-14(19)3)10-5-16(15)11-18(24)21-8-6-17(23)7-9-21/h15-17,23H,4-12H2,1-3H3/t15-,16-/m0/s1
SMILES: CC(C)[C@H]1CCC2[C@@]1(CC[C@]3([C@]2(CC[C@@]4(C3CCC(=C)[C@H]4CCC(OC)OC)C)C)C)C
InChI: InChI=1S/C30H52O2/c1-20(2)22-11-14-25-27(22,4)16-18-29(6)24-13-10-21(3)23(12-15-26(31-8)32-9)28(24,5)17-19-30(25,29)7/h20,22-26H,3,10-19H2,1-2,4-9H3/t22-,23-,24?,25?,27-,28+,29-,30+/m1/s1
SMILES: C[C@H](CCCC[C@@H]1[C@H](C(=O)O1)CO)CC(=CC(=CC(=O)O)C)C
InChI: InChI=1S/C18H28O5/c1-12(8-13(2)9-14(3)10-17(20)21)6-4-5-7-16-15(11-19)18(22)23-16/h9-10,12,15-16,19H,4-8,11H2,1-3H3,(H,20,21)/t12-,15-,16-/m1/s1
SMILES: C1CO[C@H]2[C@@H](O1)[C@@H](NC3=C2C=C(C=C3)CC#N)C4=CC=CC=C4
InChI: InChI=1S/C19H18N2O2/c20-9-8-13-6-7-16-15(12-13)18-19(23-11-10-22-18)17(21-16)14-4-2-1-3-5-14/h1-7,12,17-19,21H,8,10-11H2/t17-,18+,19-/m0/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=C(C=C(C=C4)O)Cl)Cl)CBr)Cl)[C@@H]5[C@H]1C(=O)N(C5=O)C6=CC=C(C=C6)I
InChI: InChI=1S/C27H19BrCl3IN2O5/c28-11-33-24(38)26(30)10-18-15(21(27(26,31)25(33)39)16-6-5-14(35)9-19(16)29)7-8-17-20(18)23(37)34(22(17)36)13-3-1-12(32)2-4-13/h1-7,9,17-18,20-21,35H,8,10-11H2/t17-,18+,20-,21+,26+,27-/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CCC3=C2)O)C6=CC(=C(C=C6)C(=O)NCCO)C(=O)NCCO)C)C)O)O)O
InChI: InChI=1S/C37H54N2O10/c1-20-29(42)30(43)31(44)34(48-20)49-23-8-11-35(2)22(19-23)5-7-28-27(35)9-12-36(3)26(10-13-37(28,36)47)21-4-6-24(32(45)38-14-16-40)25(18-21)33(46)39-15-17-41/h4,6,18-20,23,26-31,34,40-44,47H,5,7-17H2,1-3H3,(H,38,45)(H,39,46)/t20-,23-,26+,27-,28+,29-,30+,31+,34-,35-,36+,37-/m0/s1
SMILES: CCC1=NN=C(S1)N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H]3C2=O)C=C4
InChI: InChI=1S/C13H13N3O2S/c1-2-8-14-15-13(19-8)16-11(17)9-6-3-4-7(5-6)10(9)12(16)18/h3-4,6-7,9-10H,2,5H2,1H3/t6-,7+,9-,10-/m0/s1
SMILES: CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@H]([C@H](CNC(=O)C2=CC=C(C=C2)N=[N+]=[N-])O)O)(C(=O)O)O)O
InChI: InChI=1S/C18H23N5O9/c1-8(24)21-13-11(25)6-18(31,17(29)30)32-15(13)14(27)12(26)7-20-16(28)9-2-4-10(5-3-9)22-23-19/h2-5,11-15,25-27,31H,6-7H2,1H3,(H,20,28)(H,21,24)(H,29,30)/t11-,12-,13+,14-,15+,18+/m0/s1
SMILES: CCCN1CC[C@@H]2[C@H](C1)C3=C([C@H]2C4=CC=C(C=C4)C)C=C(C=C3)C
InChI: InChI=1S/C23H29N/c1-4-12-24-13-11-20-22(15-24)19-10-7-17(3)14-21(19)23(20)18-8-5-16(2)6-9-18/h5-10,14,20,22-23H,4,11-13,15H2,1-3H3/t20-,22-,23+/m1/s1
SMILES: C1CC[C@@H]2CN(CC[C@H]2C1)C(=O)COC3=C(C=C(C=C3)Cl)[N+](=O)[O-]
InChI: InChI=1S/C17H21ClN2O4/c18-14-5-6-16(15(9-14)20(22)23)24-11-17(21)19-8-7-12-3-1-2-4-13(12)10-19/h5-6,9,12-13H,1-4,7-8,10-11H2/t12-,13-/m1/s1
SMILES: C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)CC(=O)NC3=CC4=C(C=C3)OC5=CC=CC=C54
InChI: InChI=1S/C22H18N2O4/c25-20(12-24-21(26)15-6-1-2-7-16(15)22(24)27)23-13-9-10-19-17(11-13)14-5-3-4-8-18(14)28-19/h1-5,8-11,15-16H,6-7,12H2,(H,23,25)/t15-,16-/m0/s1
SMILES: C1CCN2CCC[C@H]([C@H]2C1)CC3(C4=C(C=CC=C4Cl)C5=C3C(=CC=C5)Cl)O
InChI: InChI=1S/C23H25Cl2NO/c24-18-9-3-7-16-17-8-4-10-19(25)22(17)23(27,21(16)18)14-15-6-5-13-26-12-2-1-11-20(15)26/h3-4,7-10,15,20,27H,1-2,5-6,11-14H2/t15-,20+/m0/s1
SMILES: CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)OCC(=O)N[C@H]2CCCC[C@H]2C)C
InChI: InChI=1S/C21H32N2O5S/c1-5-23(6-2)29(26,27)19-13-17(12-11-16(19)4)21(25)28-14-20(24)22-18-10-8-7-9-15(18)3/h11-13,15,18H,5-10,14H2,1-4H3,(H,22,24)/t15-,18+/m1/s1
SMILES: C1[C@H]2[C@H](C3CC2C=C3)C(=O)N1C4=CC(=CC(=C4)Cl)Cl
InChI: InChI=1S/C15H13Cl2NO/c16-10-4-11(17)6-12(5-10)18-7-13-8-1-2-9(3-8)14(13)15(18)19/h1-2,4-6,8-9,13-14H,3,7H2/t8?,9?,13-,14+/m1/s1
SMILES: C1CC[C@H]2[C@H](C1)CCCN2C(=O)COC(=O)/C=C/C3=CC=C(C=C3)C#N
InChI: InChI=1S/C21H24N2O3/c22-14-17-9-7-16(8-10-17)11-12-21(25)26-15-20(24)23-13-3-5-18-4-1-2-6-19(18)23/h7-12,18-19H,1-6,13,15H2/b12-11+/t18-,19+/m1/s1
SMILES: C1[C@H]([C@H]1C(=O)NC2=CN(N=C2)CC3=CC=C(C=C3)F)C4=CC=CC=C4
InChI: InChI=1S/C20H18FN3O/c21-16-8-6-14(7-9-16)12-24-13-17(11-22-24)23-20(25)19-10-18(19)15-4-2-1-3-5-15/h1-9,11,13,18-19H,10,12H2,(H,23,25)/t18-,19-/m0/s1