EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)C=O)OC(=O)C)OC(=O)C)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C33H40O19/c1-15(35)42-13-24-26(44-17(3)37)28(45-18(4)38)31(48-21(7)41)33(51-24)52-27-25(14-43-16(2)36)50-32(49-23-10-8-22(12-34)9-11-23)30(47-20(6)40)29(27)46-19(5)39/h8-12,24-33H,13-14H2,1-7H3/t24-,25-,26-,27-,28+,29+,30-,31-,32-,33-/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@]2([C@@H]3CC[C@@]4([C@@H]([C@@H]3CC[C@]2(C1)C)CCC4=O)C)C
InChI: InChI=1S/C22H34O3/c1-14(23)25-15-7-12-22(4)18-9-11-21(3)17(5-6-19(21)24)16(18)8-10-20(22,2)13-15/h15-18H,5-13H2,1-4H3/t15-,16-,17+,18+,20-,21+,22-/m0/s1
SMILES: CC[C@@H]1[C@H]([C@@H](C2=C(N1)C=CC(=C2)C)NC3=CC=C(C=C3)C)C
InChI: InChI=1S/C20H26N2/c1-5-18-15(4)20(21-16-9-6-13(2)7-10-16)17-12-14(3)8-11-19(17)22-18/h6-12,15,18,20-22H,5H2,1-4H3/t15-,18-,20+/m1/s1
SMILES: C1[C@@H]2C[C@@H]([C@H]1C=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)N
InChI: InChI=1S/C17H18N2O4/c18-16(21)11-3-5-13(6-4-11)19-15(20)9-23-17(22)14-8-10-1-2-12(14)7-10/h1-6,10,12,14H,7-9H2,(H2,18,21)(H,19,20)/t10-,12+,14+/m1/s1
SMILES: CC1=CC2=CC(=CC(=C2C(=O)O1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC
InChI: InChI=1S/C25H28O13/c1-11-7-16-8-17(31-6)9-18(20(16)24(30)33-11)37-25-23(36-15(5)29)22(35-14(4)28)21(34-13(3)27)19(38-25)10-32-12(2)26/h7-9,19,21-23,25H,10H2,1-6H3/t19-,21-,22+,23-,25-/m1/s1
SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4([C@H]3CC[C@@]2([C@@]1(C)C(=O)C)C)C
InChI: InChI=1S/C23H34O2/c1-14-12-20-18-7-6-16-13-17(25)8-10-21(16,3)19(18)9-11-22(20,4)23(14,5)15(2)24/h13-14,18-20H,6-12H2,1-5H3/t14-,18-,19+,20+,21+,22+,23-/m1/s1
SMILES: C1C[C@@H]2C[C@H]1C[C@@H]2CC(=O)NC34CC5CC(C3)CC(C5)C4
InChI: InChI=1S/C19H29NO/c21-18(8-17-7-12-1-2-16(17)6-12)20-19-9-13-3-14(10-19)5-15(4-13)11-19/h12-17H,1-11H2,(H,20,21)/t12-,13?,14?,15?,16+,17+,19?/m0/s1
SMILES: C1C=C[C@@H]2[C@H]1[C@H](NC3=C2C=CC=C3Br)C4=CC=C(C=C4)C(=O)O
InChI: InChI=1S/C19H16BrNO2/c20-16-6-2-5-15-13-3-1-4-14(13)17(21-18(15)16)11-7-9-12(10-8-11)19(22)23/h1-3,5-10,13-14,17,21H,4H2,(H,22,23)/t13-,14+,17-/m1/s1
SMILES: COC(=O)C1=CC=CC=C1NC(=O)COC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O
InChI: InChI=1S/C20H20N2O7/c1-28-20(27)14-8-4-5-9-15(14)21-16(23)11-29-17(24)10-22-18(25)12-6-2-3-7-13(12)19(22)26/h2-5,8-9,12-13H,6-7,10-11H2,1H3,(H,21,23)/t12-,13-/m0/s1
SMILES: CC1=C[C@H]2[C@H](CC(=O)C[C@H]2[C@H](C)CI)[C@@H](C1)[C@H](CO[Si](C)(C)C(C)(C)C)C(C)C
InChI: InChI=1S/C25H45IO2Si/c1-16(2)24(15-28-29(8,9)25(5,6)7)22-11-17(3)10-21-20(18(4)14-26)12-19(27)13-23(21)22/h10,16,18,20-24H,11-15H2,1-9H3/t18-,20+,21-,22-,23+,24-/m1/s1
SMILES: CC1=CC[C@@H]2[C@@]([C@@]13CC[C@@](O3)(C)CC(=O)OC)(CCCC2(C)C)C
InChI: InChI=1S/C21H34O3/c1-15-8-9-16-18(2,3)10-7-11-20(16,5)21(15)13-12-19(4,24-21)14-17(22)23-6/h8,16H,7,9-14H2,1-6H3/t16-,19-,20-,21+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@H]1C=C[C@H]([C@@H]([C@@H]1Br)O)NCC2=CC=C(C=C2)OC
InChI: InChI=1S/C20H32BrNO3Si/c1-20(2,3)26(5,6)25-17-12-11-16(19(23)18(17)21)22-13-14-7-9-15(24-4)10-8-14/h7-12,16-19,22-23H,13H2,1-6H3/t16-,17+,18-,19+/m1/s1
SMILES: CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H](C[C@@H](O1)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)N
InChI: InChI=1S/C23H32N6O3Si/c1-23(2,3)33(4,5)31-12-17-16(24)11-18(32-17)29-14-27-19-20(25-13-26-21(19)29)28-22(30)15-9-7-6-8-10-15/h6-10,13-14,16-18H,11-12,24H2,1-5H3,(H,25,26,28,30)/t16-,17+,18+/m0/s1
SMILES: C1=CC2=C(N=C1)O[C@@H]([C@@H]2O[N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C7H5N3O6/c11-9(12)7-5(16-10(13)14)4-2-1-3-8-6(4)15-7/h1-3,5,7H/t5-,7+/m1/s1
SMILES: C1=CC2=C(C(=C1)Cl)NC(=O)[C@@]23[C@H]4[C@@H]([C@H](N3)CCC(=O)O)C(=O)N(C4=O)CC5=CC=C(C=C5)F
InChI: InChI=1S/C23H19ClFN3O5/c24-14-3-1-2-13-19(14)26-22(33)23(13)18-17(15(27-23)8-9-16(29)30)20(31)28(21(18)32)10-11-4-6-12(25)7-5-11/h1-7,15,17-18,27H,8-10H2,(H,26,33)(H,29,30)/t15-,17-,18+,23+/m1/s1
SMILES: C[C@@H]1C=C[C@@H]2C[C@@H](CC[C@H]2[C@@H]1C(=O)O)CO
InChI: InChI=1S/C13H20O3/c1-8-2-4-10-6-9(7-14)3-5-11(10)12(8)13(15)16/h2,4,8-12,14H,3,5-7H2,1H3,(H,15,16)/t8-,9-,10-,11-,12-/m1/s1
SMILES: CC1=NN=C(S1)NC(=O)CC[C@@H]2C[C@H]3[C@@H](CC4=CNC5=CC=CC3=C45)N(C2)C
InChI: InChI=1S/C21H25N5OS/c1-12-24-25-21(28-12)23-19(27)7-6-13-8-16-15-4-3-5-17-20(15)14(10-22-17)9-18(16)26(2)11-13/h3-5,10,13,16,18,22H,6-9,11H2,1-2H3,(H,23,25,27)/t13-,16-,18-/m1/s1
SMILES: CC1=C(C=CC=C1Cl)N2C(=O)[C@H]3[C@H]4CCCN4[C@@]5([C@@H]3C2=O)C6=CC=CC=C6NC5=O
InChI: InChI=1S/C23H20ClN3O3/c1-12-14(24)7-4-9-16(12)27-20(28)18-17-10-5-11-26(17)23(19(18)21(27)29)13-6-2-3-8-15(13)25-22(23)30/h2-4,6-9,17-19H,5,10-11H2,1H3,(H,25,30)/t17-,18+,19+,23-/m1/s1
SMILES: CCC1=CC=C(C=C1)CC2=CNC3=C2C(=CC=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)OC)O)O)O
InChI: InChI=1S/C25H29NO8/c1-3-14-7-9-15(10-8-14)11-16-12-26-17-5-4-6-18(20(16)17)33-24-23(29)22(28)21(27)19(34-24)13-32-25(30)31-2/h4-10,12,19,21-24,26-29H,3,11,13H2,1-2H3/t19-,21-,22+,23-,24-/m1/s1
SMILES: CC1=C[C@@H]2CCN(C[C@@]23C[C@H]4[C@H](CCCCCN4[C@H]3O1)O)C(=O)OC
InChI: InChI=1S/C19H30N2O4/c1-13-10-14-7-9-20(18(23)24-2)12-19(14)11-15-16(22)6-4-3-5-8-21(15)17(19)25-13/h10,14-17,22H,3-9,11-12H2,1-2H3/t14-,15-,16-,17-,19-/m0/s1
SMILES: COC1=CC=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[C@H]5[C@H]([C@@](CO5)(CO)O)O)O)O
InChI: InChI=1S/C27H30O14/c1-37-12-4-2-11(3-5-12)15-6-13(30)18-16(39-15)7-14(31)19(21(18)33)23-22(34)24(20(32)17(8-28)40-23)41-26-25(35)27(36,9-29)10-38-26/h2-7,17,20,22-26,28-29,31-36H,8-10H2,1H3/t17-,20-,22+,23+,24+,25-,26+,27+/m1/s1
SMILES: C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O)C8=CC=CC=C8N6CC9=CC=CC=C9NC(=O)CBr
InChI: InChI=1S/C35H34BrN3O4/c36-17-29(41)37-25-7-3-1-5-22(25)19-39-26-8-4-2-6-23(26)24-16-35(42)28-15-21-11-12-27(40)32-30(21)34(35,33(43-32)31(24)39)13-14-38(28)18-20-9-10-20/h1-8,11-12,20,28,33,40,42H,9-10,13-19H2,(H,37,41)/t28-,33+,34+,35-/m1/s1
SMILES: CC1=CCC[C@]2([C@@H](CC[C@]2(CN(C[C@H]3CCCO3)C(=O)NC4=CC=CC=C4)O)C5=C(C=C(C[C@H](CC1)O)C=C5)C(=O)C6CCCCC6)C
InChI: InChI=1S/C41H56N2O5/c1-29-11-9-22-40(2)37(35-20-18-30(25-33(44)19-17-29)26-36(35)38(45)31-12-5-3-6-13-31)21-23-41(40,47)28-43(27-34-16-10-24-48-34)39(46)42-32-14-7-4-8-15-32/h4,7-8,11,14-15,18,20,26,31,33-34,37,44,47H,3,5-6,9-10,12-13,16-17,19,21-25,27-28H2,1-2H3,(H,42,46)/t33-,34+,37-,40-,41+/m0/s1
SMILES: C1CC[C@H]([C@@H](C1)N)N.C(CC(C(=O)[O-])C(=O)[O-])CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O.[Pt+2]
InChI: InChI=1S/C13H21NO10.C6H14N2.Pt/c15-4-6-8(17)9(18)10(19)11(24-6)14-7(16)3-1-2-5(12(20)21)13(22)23;7-5-3-1-2-4-6(5)8;/h5-6,8-11,15,17-19H,1-4H2,(H,14,16)(H,20,21)(H,22,23);5-6H,1-4,7-8H2;/q;;+2/p-2/t6-,8-,9+,10-,11-;5-,6-;/m11./s1
SMILES: CCOC(=O)[C@@]12[C@@H]([C@@H](CCC1=O)C3=C2CC4=CC=CC=C43)[C@H]5COC(O5)(C)C
InChI: InChI=1S/C23H26O5/c1-4-26-21(25)23-16-11-13-7-5-6-8-14(13)19(16)15(9-10-18(23)24)20(23)17-12-27-22(2,3)28-17/h5-8,15,17,20H,4,9-12H2,1-3H3/t15-,17+,20-,23+/m0/s1
SMILES: C1COC[C@@H]1NC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)COC5=CC=CC=C5F)O)O
InChI: InChI=1S/C20H22FN5O5/c21-12-3-1-2-4-13(12)30-8-14-16(27)17(28)20(31-14)26-10-24-15-18(22-9-23-19(15)26)25-11-5-6-29-7-11/h1-4,9-11,14,16-17,20,27-28H,5-8H2,(H,22,23,25)/t11-,14-,16-,17-,20-/m1/s1
SMILES: CC(C)(C)OC(=O)CC[C@@H](CO)NC(=O)[C@H]1CCCN1C(=O)C2=C[C@@H]3[C@H]([C@@H](C2)OC(=O)C4=CC=CC(=C4)C=CCO[C@@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)OC(O3)(C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C50H60N2O15/c1-49(2,3)66-40(55)22-21-35(28-53)51-45(59)36-20-11-23-52(36)46(60)32-26-37(44-38(27-32)65-50(67-44,33-16-6-4-7-17-33)34-18-8-5-9-19-34)63-47(61)31-15-10-13-30(25-31)14-12-24-62-48-43(58)42(57)41(56)39(29-54)64-48/h4-10,12-19,25,27,35-39,41-44,48,53-54,56-58H,11,20-24,26,28-29H2,1-3H3,(H,51,59)/t35-,36+,37+,38+,39+,41-,42-,43+,44-,48-/m0/s1
SMILES: CC(C)[C@@H](C(=O)N[C@@H]1[C@H](C(=O)NC2=C1C=C(C=C2)O)OC(=O)CC3=CC=C(C=C3)OC)NC(=O)CC4=CC=C(C=C4)OC
InChI: InChI=1S/C32H35N3O8/c1-18(2)28(34-26(37)15-19-5-10-22(41-3)11-6-19)31(39)35-29-24-17-21(36)9-14-25(24)33-32(40)30(29)43-27(38)16-20-7-12-23(42-4)13-8-20/h5-14,17-18,28-30,36H,15-16H2,1-4H3,(H,33,40)(H,34,37)(H,35,39)/t28-,29-,30+/m0/s1
SMILES: CCOC1=CC(=CC(=C1[O-])[N+](=O)[O-])[C@@H]2[C@H]3C(=O)C[C@H](C=C3NC4=CC=CC=C4N2)C5=C(C=CC(=C5)OC)OC
InChI: InChI=1S/C29H29N3O7/c1-4-39-26-14-17(12-23(29(26)34)32(35)36)28-27-22(30-20-7-5-6-8-21(20)31-28)11-16(13-24(27)33)19-15-18(37-2)9-10-25(19)38-3/h5-12,14-16,27-28,30-31,34H,4,13H2,1-3H3/p-1/t16-,27+,28+/m0/s1
SMILES: CC(=O)N[C@H]1[C@H]([C@@H]2[C@@H](COC(O2)(C)C)O[C@H]1OCC3=CC=CC=C3)O
InChI: InChI=1S/C18H25NO6/c1-11(20)19-14-15(21)16-13(10-23-18(2,3)25-16)24-17(14)22-9-12-7-5-4-6-8-12/h4-8,13-17,21H,9-10H2,1-3H3,(H,19,20)/t13-,14+,15-,16+,17-/m1/s1
SMILES: C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)NOP(=O)(O)O)O)O
InChI: InChI=1S/C8H13N4O8P/c9-3-1-2-12(8(15)10-3)7-5(14)4(13)6(19-7)11-20-21(16,17)18/h1-2,4-7,11,13-14H,(H2,9,10,15)(H2,16,17,18)/t4-,5+,6-,7+/m0/s1
SMILES: C[C@H]1[C@H]\2C[C@@H](C1(C)C)C/C2=C\3/[C@H]4C[C@@H](C3=O)[C@@H](C4(C)C)C
InChI: InChI=1S/C20H30O/c1-10-13-7-12(19(10,3)4)8-15(13)17-16-9-14(18(17)21)11(2)20(16,5)6/h10-14,16H,7-9H2,1-6H3/b17-15+/t10-,11-,12+,13+,14+,16+/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@@H]1C)NC(=O)COC(=O)C2=CC3=CC=CC=C3N2
InChI: InChI=1S/C19H24N2O3/c1-12-6-5-9-15(13(12)2)21-18(22)11-24-19(23)17-10-14-7-3-4-8-16(14)20-17/h3-4,7-8,10,12-13,15,20H,5-6,9,11H2,1-2H3,(H,21,22)/t12-,13-,15-/m1/s1
SMILES: CCOC1=CC=CC(=C1O)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC=CC=C6)C)C(=O)N(C4=O)C7=CC(=C(C(=C7)[N+](=O)[O-])N(C)C)[N+](=O)[O-]
InChI: InChI=1S/C37H35N5O10/c1-5-52-28-13-9-12-23(32(28)43)30-21-14-15-22-29(24(21)18-25-34(45)40(36(47)37(25,30)2)19-10-7-6-8-11-19)35(46)39(33(22)44)20-16-26(41(48)49)31(38(3)4)27(17-20)42(50)51/h6-14,16-17,22,24-25,29-30,43H,5,15,18H2,1-4H3/t22-,24+,25-,29-,30+,37+/m0/s1
SMILES: C1[C@@H]([C@H](O[C@H]1C2=CN=C(NC2=O)NC(=O)C3=CC=CC=C3)CO)O
InChI: InChI=1S/C16H17N3O5/c20-8-13-11(21)6-12(24-13)10-7-17-16(19-15(10)23)18-14(22)9-4-2-1-3-5-9/h1-5,7,11-13,20-21H,6,8H2,(H2,17,18,19,22,23)/t11-,12+,13+/m0/s1
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3C(=O)[C@H](C4)C6=CC=CC=C6
InChI: InChI=1S/C24H25NO3/c1-25-11-10-24-17-13-16(14-6-4-3-5-7-14)21(26)23(24)28-22-19(27-2)9-8-15(20(22)24)12-18(17)25/h3-9,16-18,23H,10-13H2,1-2H3/t16-,17+,18-,23+,24+/m1/s1
SMILES: C[C@H]\1COC(=O)[C@@H]2CCCN2C(=O)C/C=C/[C@H]([C@@H](COC(=O)C/C=C1)OC)C
InChI: InChI=1S/C21H31NO6/c1-15-7-4-11-20(24)27-14-18(26-3)16(2)8-5-10-19(23)22-12-6-9-17(22)21(25)28-13-15/h4-5,7-8,15-18H,6,9-14H2,1-3H3/b7-4+,8-5+/t15-,16-,17+,18-/m1/s1
SMILES: C[C@@H]([C@H]1C[C@@H]([C@@]2([C@@]1(CC=C3C2=CCC4[C@@]3(CC[C@H](C4(C)C)OC(=O)C)C)C)C)OC(=O)C)[C@H](C/C=C(\C)/C(=O)O)OC(=O)C
InChI: InChI=1S/C36H52O8/c1-20(32(40)41)11-13-28(42-22(3)37)21(2)27-19-31(44-24(5)39)36(10)26-12-14-29-33(6,7)30(43-23(4)38)16-17-34(29,8)25(26)15-18-35(27,36)9/h11-12,15,21,27-31H,13-14,16-19H2,1-10H3,(H,40,41)/b20-11+/t21-,27+,28-,29?,30+,31-,34+,35+,36+/m0/s1
SMILES: CCCCC(C)(C)[C@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O)O
InChI: InChI=1S/C22H36O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-17,19-20,24-25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/b8-6-,13-12+/t16-,17-,19-,20+/m1/s1
SMILES: CCOC(=O)N1C[C@H]2C[C@@H](C1)[C@@H](N(C2)C(=O)OC(C)(C)C)CCC=C
InChI: InChI=1S/C19H32N2O4/c1-6-8-9-16-15-10-14(11-20(13-15)17(22)24-7-2)12-21(16)18(23)25-19(3,4)5/h6,14-16H,1,7-13H2,2-5H3/t14-,15+,16+/m1/s1
SMILES: C1=C(C=C(C(=C1O)O)O)C2=[O+]C3=CC(=CC(=C3C=C2OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O.[Cl-]
InChI: InChI=1S/C21H20O12.ClH/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7;/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27);1H/t15-,17-,18+,19-,21?;/m1./s1
SMILES: C1=CC(=CC=C1N[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O)[N+](=O)[O-]
InChI: InChI=1S/C11H14N2O6/c14-5-8-9(15)10(16)11(19-8)12-6-1-3-7(4-2-6)13(17)18/h1-4,8-12,14-16H,5H2/t8-,9+,10-,11-/m0/s1
SMILES: C1C2C([C@@H](S1)CCCCC(=O)NCCCOCCOCCOCCCNC3=C4C(=NC=N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)COP(=O)(O)O)O)O)NC(=O)N2
InChI: InChI=1S/C30H49N8O12PS/c39-22(6-2-1-5-21-23-19(16-52-21)36-30(42)37-23)31-7-3-9-46-11-13-48-14-12-47-10-4-8-32-27-24-28(34-17-33-27)38(18-35-24)29-26(41)25(40)20(50-29)15-49-51(43,44)45/h17-21,23,25-26,29,40-41H,1-16H2,(H,31,39)(H,32,33,34)(H2,36,37,42)(H2,43,44,45)/t19?,20-,21+,23?,25-,26-,29-/m1/s1
SMILES: C1[C@@H]([C@@H]([C@H]([C@@]1([C]2[CH][CH][CH][CH]2)O)[C@H]([C]3[CH][CH][CH][CH]3)O)C4=CC=C(C=C4)F)C5=CC=C(C=C5)F
InChI: InChI=1S/C28H24F2O2/c29-22-13-9-18(10-14-22)24-17-28(32,21-7-3-4-8-21)26(27(31)20-5-1-2-6-20)25(24)19-11-15-23(30)16-12-19/h1-16,24-27,31-32H,17H2/t24-,25+,26+,27+,28-/m1/s1
SMILES: C=CC[C@H]1C2=CC=CC=C2[C@@H]3CCCC[C@@]3(C1(C#CC4=CC=CC=C4)O)O
InChI: InChI=1S/C25H26O2/c1-2-10-22-20-13-6-7-14-21(20)23-15-8-9-17-24(23,26)25(22,27)18-16-19-11-4-3-5-12-19/h2-7,11-14,22-23,26-27H,1,8-10,15,17H2/t22-,23-,24+,25?/m0/s1
SMILES: CC1=CC2=C(C=C1)N([C@@H]3[C@@H]2CN(CC3)C)C(=O)NC4=CC=C(C=C4)Cl
InChI: InChI=1S/C20H22ClN3O/c1-13-3-8-18-16(11-13)17-12-23(2)10-9-19(17)24(18)20(25)22-15-6-4-14(21)5-7-15/h3-8,11,17,19H,9-10,12H2,1-2H3,(H,22,25)/t17-,19+/m1/s1
SMILES: CN(C)CCOC1=CC=C(C=C1)[C@@H]2[C@@H](NC=N2)C3=CC=C(C=C3)O.Cl.Cl
InChI: InChI=1S/C19H23N3O2.2ClH/c1-22(2)11-12-24-17-9-5-15(6-10-17)19-18(20-13-21-19)14-3-7-16(23)8-4-14;;/h3-10,13,18-19,23H,11-12H2,1-2H3,(H,20,21);2*1H/t18-,19+;;/m0../s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[C@H]3C[C@H]4CC[C@@H]3C4
InChI: InChI=1S/C20H28N2O3S/c1-15-2-6-19(7-3-15)26(24,25)22-10-8-21(9-11-22)20(23)14-18-13-16-4-5-17(18)12-16/h2-3,6-7,16-18H,4-5,8-14H2,1H3/t16-,17+,18+/m0/s1
SMILES: COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OC[C@@H]4[C@@H](C[C@](O4)(COC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC)N8C=CC(=O)NC8=O)O
InChI: InChI=1S/C52H50N2O10/c1-58-42-23-15-38(16-24-42)51(36-11-7-5-8-12-36,39-17-25-43(59-2)26-18-39)62-34-47-46(55)33-50(64-47,54-32-31-48(56)53-49(54)57)35-63-52(37-13-9-6-10-14-37,40-19-27-44(60-3)28-20-40)41-21-29-45(61-4)30-22-41/h5-32,46-47,55H,33-35H2,1-4H3,(H,53,56,57)/t46-,47-,50+/m1/s1
SMILES: C1[C@H]([C@@H]([C@H](OC1(C2=CC=CC=C2)O)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C33H34O5/c34-33(29-19-11-4-12-20-29)21-30(36-23-27-15-7-2-8-16-27)32(37-24-28-17-9-3-10-18-28)31(38-33)25-35-22-26-13-5-1-6-14-26/h1-20,30-32,34H,21-25H2/t30-,31-,32+,33?/m1/s1
SMILES: C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CC(=O)NC3=CC=CC=C3SC4=CC=C(C=C4)Cl
InChI: InChI=1S/C22H19ClN2O3S/c23-14-9-11-15(12-10-14)29-19-8-4-3-7-18(19)24-20(26)13-25-21(27)16-5-1-2-6-17(16)22(25)28/h1-4,7-12,16-17H,5-6,13H2,(H,24,26)/t16-,17+
SMILES: CC1=CC(=O)C2=C(C1=O)[C@H](C3=CC[C@H]4[C@@H]([C@@H]3C2)C(=O)N(C4=O)CCCCCC(=O)O)C5=CC=C(C6=CC=CC=C56)O
InChI: InChI=1S/C33H31NO7/c1-17-15-26(36)24-16-23-21(10-11-22-29(23)33(41)34(32(22)40)14-6-2-3-9-27(37)38)28(30(24)31(17)39)20-12-13-25(35)19-8-5-4-7-18(19)20/h4-5,7-8,10,12-13,15,22-23,28-29,35H,2-3,6,9,11,14,16H2,1H3,(H,37,38)/t22-,23+,28-,29-/m0/s1
SMILES: C1C=CC[C@H]2[C@H]1C(=O)N(C2=O)CC(=O)OCC3=CSC(=N3)C4=CC=C(C=C4)Cl
InChI: InChI=1S/C20H17ClN2O4S/c21-13-7-5-12(6-8-13)18-22-14(11-28-18)10-27-17(24)9-23-19(25)15-3-1-2-4-16(15)20(23)26/h1-2,5-8,11,15-16H,3-4,9-10H2/t15-,16-/m0/s1
SMILES: C1[C@@H]2[C@H]3C2(CN1C3)C4=NSN=C4OCC#CC5=CC=C(C=C5)F
InChI: InChI=1S/C17H14FN3OS/c18-12-5-3-11(4-6-12)2-1-7-22-16-15(19-23-20-16)17-10-21-8-13(17)14(17)9-21/h3-6,13-14H,7-10H2/t13-,14+,17?
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)C4=NC5=CC=CC=C5N=C4)CN6CCC[C@H]6COC
InChI: InChI=1S/C34H38N4O5/c1-22-31(19-38-16-6-9-27(38)21-41-2)42-34(43-32(22)24-14-12-23(20-39)13-15-24)25-7-5-8-26(17-25)36-33(40)30-18-35-28-10-3-4-11-29(28)37-30/h3-5,7-8,10-15,17-18,22,27,31-32,34,39H,6,9,16,19-21H2,1-2H3,(H,36,40)/t22-,27+,31+,32+,34+/m1/s1
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](C2=C(C[C@@](O2)([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(CC#C)CC#C)O)C)C)C)O)(C)O
InChI: InChI=1S/C41H65NO12/c1-14-17-42(18-15-2)28-19-23(5)49-38(31(28)43)53-36-25(7)33(52-30-21-39(10,48-13)35(45)27(9)50-30)26(8)37(46)51-29(16-3)41(12,47)34(44)24(6)32-22(4)20-40(36,11)54-32/h1-2,23-31,33-36,38,43-45,47H,16-21H2,3-13H3/t23-,24+,25+,26-,27+,28+,29-,30+,31-,33+,34-,35+,36-,38+,39-,40-,41-/m1/s1
SMILES: C1=CC=C(C=C1)[C@@H]2[C@H](N3[C@@H](C2(C#N)C#N)C=CC4=C3C=CC(=C4)Cl)C(=O)C5=CC=CC=C5
InChI: InChI=1S/C27H18ClN3O/c28-21-12-13-22-20(15-21)11-14-23-27(16-29,17-30)24(18-7-3-1-4-8-18)25(31(22)23)26(32)19-9-5-2-6-10-19/h1-15,23-25H/t23-,24-,25+/m1/s1
SMILES: C1[C@@H]([C@H]1[C@H]2C[C@@H]2COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)CO
InChI: InChI=1S/C27H28O2/c28-18-20-16-25(20)26-17-21(26)19-29-27(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,20-21,25-26,28H,16-19H2/t20-,21-,25+,26+/m1/s1
SMILES: CCCCC/C=C/C/C=C/CCCCCCCC(=O)C[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
InChI: InChI=1S/C31H54O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(34)18-22-25(35)28(38)30(24(20-33)40-22)42-31-29(39)27(37)26(36)23(19-32)41-31/h6-7,9-10,22-33,35-39H,2-5,8,11-20H2,1H3/b7-6+,10-9+/t22-,23-,24-,25+,26-,27+,28-,29-,30-,31+/m1/s1
SMILES: C[C@H](CCC(=O)OC)[C@H]1CC[C@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@H](C4)O)C)C
InChI: InChI=1S/C25H40O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h6,16,18-22,26H,5,7-15H2,1-4H3/t16-,18-,19+,20-,21-,22+,24+,25-/m1/s1
SMILES: CCN1N=C(N=N1)[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=C(N=C4Cl)Cl)OC(=O)C)OC(=O)C
InChI: InChI=1S/C16H16Cl2N8O5/c1-4-26-23-13(22-24-26)10-9(29-6(2)27)11(30-7(3)28)15(31-10)25-5-19-8-12(17)20-16(18)21-14(8)25/h5,9-11,15H,4H2,1-3H3/t9-,10+,11-,15-/m1/s1
SMILES: C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)C2=CC=C(C=C2)C(F)(F)F
InChI: InChI=1S/C16H20F3NO/c1-10-4-3-5-14(11(10)2)20-15(21)12-6-8-13(9-7-12)16(17,18)19/h6-11,14H,3-5H2,1-2H3,(H,20,21)/t10-,11+,14+/m0/s1
SMILES: CC(C)C[C@@](CC(=O)O)(C(=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)O)O)O
InChI: InChI=1S/C16H26O11/c1-7(2)4-16(15(23)24,5-10(18)19)27-14-13(22)12(21)11(20)9(26-14)6-25-8(3)17/h7,9,11-14,20-22H,4-6H2,1-3H3,(H,18,19)(H,23,24)/t9-,11-,12+,13-,14+,16-/m1/s1
SMILES: C[C@@H]1C[C@@H](OC1)[C@H]2[C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(CC[C@@H](C6)OC)C)C)C
InChI: InChI=1S/C28H46O3/c1-16-12-24(30-15-16)26-17(2)25-23(31-26)14-22-20-7-6-18-13-19(29-5)8-10-27(18,3)21(20)9-11-28(22,25)4/h16-26H,6-15H2,1-5H3/t16-,17+,18+,19+,20-,21+,22+,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=CC(=C3)C4=CC=CC(=C4)CNC(=O)NC5=CC=C(C=C5)OC6=CC=CC=C6)CN(C)C[C@H](C7=CC(=CC=C7)O)O
InChI: InChI=1S/C48H49N3O7/c1-32-45(30-51(2)29-44(54)38-12-8-14-41(53)27-38)57-47(58-46(32)35-19-17-33(31-52)18-20-35)39-13-7-11-37(26-39)36-10-6-9-34(25-36)28-49-48(55)50-40-21-23-43(24-22-40)56-42-15-4-3-5-16-42/h3-27,32,44-47,52-54H,28-31H2,1-2H3,(H2,49,50,55)/t32-,44+,45+,46+,47+/m0/s1
SMILES: C[C@]12CCCC([C@@H]1CC[C@]3(C2=CC4=C(O3)C=C(C(=C4Cl)O)O)C)(C)C
InChI: InChI=1S/C21H27ClO3/c1-19(2)7-5-8-20(3)15(19)6-9-21(4)16(20)10-12-14(25-21)11-13(23)18(24)17(12)22/h10-11,15,23-24H,5-9H2,1-4H3/t15-,20-,21-/m0/s1
SMILES: C1=CC=C(C=C1)N2C(=O)[C@@H]3[C@H](C2=O)[C@H]4[C@H]5[C@@H]([C@@H]3O4)C(=NO5)C6=NN(N=C6)C7=CC=CC=C7
InChI: InChI=1S/C23H17N5O4/c29-22-15-16(23(30)27(22)12-7-3-1-4-8-12)20-21-17(19(15)31-20)18(26-32-21)14-11-24-28(25-14)13-9-5-2-6-10-13/h1-11,15-17,19-21H/t15-,16+,17-,19-,20+,21-/m1/s1
SMILES: C[C@]12CC/C(=N/OC3=CC=C(C=C3)[N+](=O)[O-])/CC1CC[C@@H]4[C@@H]2CC[C@]5([C@H]4CCC5=O)C
InChI: InChI=1S/C25H32N2O4/c1-24-13-11-17(26-31-19-6-4-18(5-7-19)27(29)30)15-16(24)3-8-20-21-9-10-23(28)25(21,2)14-12-22(20)24/h4-7,16,20-22H,3,8-15H2,1-2H3/b26-17-/t16?,20-,21-,22-,24-,25-/m0/s1
SMILES: CC(C)(C)OC(=O)N1[C@H]([C@H]([C@@H](C1=O)CC2=CN=CC=C2)O)CC3=CC=CC=C3
InChI: InChI=1S/C22H26N2O4/c1-22(2,3)28-21(27)24-18(13-15-8-5-4-6-9-15)19(25)17(20(24)26)12-16-10-7-11-23-14-16/h4-11,14,17-19,25H,12-13H2,1-3H3/t17-,18-,19-/m0/s1
SMILES: CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)NCC4=C(C=CC(=C4)OC)O)O)N
InChI: InChI=1S/C19H23N7O5/c1-21-18(29)15-12(20)14(28)19(31-15)26-8-25-13-16(23-7-24-17(13)26)22-6-9-5-10(30-2)3-4-11(9)27/h3-5,7-8,12,14-15,19,27-28H,6,20H2,1-2H3,(H,21,29)(H,22,23,24)/t12-,14+,15-,19+/m0/s1
SMILES: C[C@@H](C=O)[C@H]1CCC[C@]12CCC[C@H]3N2CC(=CC3)C(=O)OC(C)(C)C
InChI: InChI=1S/C21H33NO3/c1-15(14-23)18-8-6-12-21(18)11-5-7-17-10-9-16(13-22(17)21)19(24)25-20(2,3)4/h9,14-15,17-18H,5-8,10-13H2,1-4H3/t15-,17+,18+,21+/m0/s1
SMILES: CC(C)(C)C1=CC=C(C=C1)NC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O
InChI: InChI=1S/C20H26N2O3/c1-20(2,3)13-8-10-14(11-9-13)21-17(23)12-22-18(24)15-6-4-5-7-16(15)19(22)25/h8-11,15-16H,4-7,12H2,1-3H3,(H,21,23)/t15-,16+
SMILES: CC1(C=CC2=C(O1)C=CC3=C2[N+](=C4C3=C[C@]56[C@H](C4(C)C)C[C@@]7(CCCN7C5=O)C(=O)N6)[O-])C
InChI: InChI=1S/C26H27N3O4/c1-23(2)10-8-15-17(33-23)7-6-14-16-12-26-18(24(3,4)20(16)29(32)19(14)15)13-25(21(30)27-26)9-5-11-28(25)22(26)31/h6-8,10,12,18H,5,9,11,13H2,1-4H3,(H,27,30)/t18-,25-,26-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@H]1CCC24OCCO4)CC[C@@H]5[C@@]3(CC=CC5)C
InChI: InChI=1S/C21H32O2/c1-19-10-4-3-5-15(19)6-7-16-17(19)8-11-20(2)18(16)9-12-21(20)22-13-14-23-21/h3-4,15-18H,5-14H2,1-2H3/t15-,16-,17+,18-,19+,20+/m1/s1
SMILES: CC(=O)O[C@]1(C[C@@H]([C@H]2[C@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)C
InChI: InChI=1S/C19H28O12/c1-7(21)31-19(2)4-9(22)11-8(16(26)27-3)6-28-17(12(11)19)30-18-15(25)14(24)13(23)10(5-20)29-18/h6,9-15,17-18,20,22-25H,4-5H2,1-3H3/t9-,10+,11-,12-,13+,14-,15+,17-,18-,19-/m0/s1
SMILES: CN1C=NN=C1SC2=C(C=C3C(=O)C=C(SC3=C2F)SCC4=C(N5[C@@H]([C@@H](C5=O)NC(=O)/C(=N\OC)/C6=CSC(=N6)N)SC4)C(=O)O)F
InChI: InChI=1S/C26H20F2N8O6S5/c1-35-8-30-33-26(35)47-20-11(27)3-10-13(37)4-14(46-19(10)15(20)28)43-5-9-6-44-23-17(22(39)36(23)18(9)24(40)41)32-21(38)16(34-42-2)12-7-45-25(29)31-12/h3-4,7-8,17,23H,5-6H2,1-2H3,(H2,29,31)(H,32,38)(H,40,41)/b34-16-/t17-,23-/m1/s1
SMILES: C[C@@H](C(=O)N[C@H](C1=CC=CC=C1)C(=O)N[C@H]2[C@@H]3N(C2=O)[C@H](C(S3)(C)C)C(=O)O)NC(=O)CN4C(=O)C5=C(C(=CC=C5)OC(=O)OC)OC4=O
InChI: InChI=1S/C31H31N5O12S/c1-14(32-18(37)13-35-25(40)16-11-8-12-17(47-30(45)46-4)21(16)48-29(35)44)23(38)33-19(15-9-6-5-7-10-15)24(39)34-20-26(41)36-22(28(42)43)31(2,3)49-27(20)36/h5-12,14,19-20,22,27H,13H2,1-4H3,(H,32,37)(H,33,38)(H,34,39)(H,42,43)/t14-,19+,20+,22-,27+/m0/s1
SMILES: CC(=O)O[C@@H]1CC(=C)[C@@H](CC[C@@]2([C@H](O2)[C@@H]3[C@@H]1C(=C)C(=O)O3)C)OO
InChI: InChI=1S/C17H22O7/c1-8-7-12(21-10(3)18)13-9(2)16(19)22-14(13)15-17(4,23-15)6-5-11(8)24-20/h11-15,20H,1-2,5-7H2,3-4H3/t11-,12-,13-,14+,15-,17-/m1/s1
SMILES: C[C@]12CC[C@@](C[C@@]1(C(CC[C@@H]2Br)(C)O)O)([C@]3([C@H](C[C@H](C3(C)C)Br)O)C)O
InChI: InChI=1S/C20H34Br2O4/c1-15(2)13(22)10-14(23)18(15,5)19(25)9-8-16(3)12(21)6-7-17(4,24)20(16,26)11-19/h12-14,23-26H,6-11H2,1-5H3/t12-,13+,14-,16+,17?,18-,19+,20+/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC=CC=C2C(=O)O)O)O)O
InChI: InChI=1S/C13H16O7/c1-6-9(14)10(15)11(16)13(19-6)20-8-5-3-2-4-7(8)12(17)18/h2-6,9-11,13-16H,1H3,(H,17,18)/t6-,9-,10+,11+,13-/m0/s1
SMILES: CC(=O)[C@H]1[C@@H](NC(=O)N[C@@]1(C(F)(F)F)O)C2=CC=C(C=C2)C#N
InChI: InChI=1S/C14H12F3N3O3/c1-7(21)10-11(9-4-2-8(6-18)3-5-9)19-12(22)20-13(10,23)14(15,16)17/h2-5,10-11,23H,1H3,(H2,19,20,22)/t10-,11-,13+/m0/s1
SMILES: CC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O
InChI: InChI=1S/C21H23N3O3S/c1-13-22-18(12-28-13)14-6-8-15(9-7-14)23-19(25)10-11-24-20(26)16-4-2-3-5-17(16)21(24)27/h6-9,12,16-17H,2-5,10-11H2,1H3,(H,23,25)/t16-,17-/m1/s1
SMILES: CC1=C(C(=C(S1)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)C#N)C3=CC=CC=C3
InChI: InChI=1S/C20H18N2O3S/c1-12-17(13-7-3-2-4-8-13)16(11-21)19(26-12)22-18(23)14-9-5-6-10-15(14)20(24)25/h2-8,14-15H,9-10H2,1H3,(H,22,23)(H,24,25)/t14-,15+/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)CNC(=O)CCCC(=O)O)CSC4=NC=CC=N4
InChI: InChI=1S/C29H33N3O6S/c1-19-24(18-39-29-30-14-3-15-31-29)37-28(38-27(19)22-10-8-21(17-33)9-11-22)23-12-6-20(7-13-23)16-32-25(34)4-2-5-26(35)36/h3,6-15,19,24,27-28,33H,2,4-5,16-18H2,1H3,(H,32,34)(H,35,36)/t19-,24+,27+,28+/m0/s1
SMILES: CC1=C(C=C(C=C1)NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])NC(=O)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C22H21ClN2O4/c1-13-6-11-16(24-21(27)17-4-2-3-5-18(17)22(28)29)12-19(13)25-20(26)14-7-9-15(23)10-8-14/h2-3,6-12,17-18H,4-5H2,1H3,(H,24,27)(H,25,26)(H,28,29)/p-1/t17-,18-/m0/s1