EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1CC12[C@@H]3C=C[C@H]2[C@H]4[C@H]3C(=O)N(C4=O)/N=C\C5=CC=C(O5)C6=CC=C(C=C6)Br
InChI: InChI=1S/C22H17BrN2O3/c23-13-3-1-12(2-4-13)17-8-5-14(28-17)11-24-25-20(26)18-15-6-7-16(19(18)21(25)27)22(15)9-10-22/h1-8,11,15-16,18-19H,9-10H2/b24-11-/t15-,16+,18-,19-/m0/s1
SMILES: C1CC[C@@]2(CCN(C[C@H]2C1)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])O
InChI: InChI=1S/C16H19N3O6/c20-15(11-7-13(18(22)23)9-14(8-11)19(24)25)17-6-5-16(21)4-2-1-3-12(16)10-17/h7-9,12,21H,1-6,10H2/t12-,16+/m1/s1
SMILES: CC1=CC2=C(C=C1)N([C@H]3[C@H]2C[NH+](CC3)C)C(=O)CN4N=C(N=N4)C5=CC=CC=C5C
InChI: InChI=1S/C23H26N6O/c1-15-8-9-20-18(12-15)19-13-27(3)11-10-21(19)29(20)22(30)14-28-25-23(24-26-28)17-7-5-4-6-16(17)2/h4-9,12,19,21H,10-11,13-14H2,1-3H3/p+1/t19-,21+/m0/s1
SMILES: CC(=O)O[C@@H]1CC[C@]2([C@@H]3CC[C@@]4([C@@H]([C@@H]3CC=C2C1)CC[C@@H]4C(=O)[O-])C)C
InChI: InChI=1S/C22H32O4/c1-13(23)26-15-8-10-21(2)14(12-15)4-5-16-17-6-7-19(20(24)25)22(17,3)11-9-18(16)21/h4,15-19H,5-12H2,1-3H3,(H,24,25)/p-1/t15-,16+,17-,18-,19-,21-,22-/m1/s1
SMILES: CCCCCOC1=C(C=C(C=C1)C2(CC[C@H]3[C@@H]2CN([C@@H]3C(=O)OCC)C(=O)OCC4=CC=CC=C4)O)C
InChI: InChI=1S/C30H39NO6/c1-4-6-10-17-36-26-14-13-23(18-21(26)3)30(34)16-15-24-25(30)19-31(27(24)28(32)35-5-2)29(33)37-20-22-11-8-7-9-12-22/h7-9,11-14,18,24-25,27,34H,4-6,10,15-17,19-20H2,1-3H3/t24-,25-,27-,30?/m0/s1
SMILES: CC1(OC[C@@H](O1)[C@H]2[C@H](OC(=O)N2C(=O)CCC3=CC=CC=C3)[C@H]4COC(O4)(C)C)C
InChI: InChI=1S/C22H29NO7/c1-21(2)26-12-15(29-21)18-19(16-13-27-22(3,4)30-16)28-20(25)23(18)17(24)11-10-14-8-6-5-7-9-14/h5-9,15-16,18-19H,10-13H2,1-4H3/t15-,16-,18+,19-/m1/s1
SMILES: CC#CCOC(=O)C(C1=CC=CC=C1)(C2=CC=C(C=C2)N3C[C@@H]4C[C@@H]4C3C)O
InChI: InChI=1S/C24H25NO3/c1-3-4-14-28-23(26)24(27,19-8-6-5-7-9-19)20-10-12-21(13-11-20)25-16-18-15-22(18)17(25)2/h5-13,17-18,22,27H,14-16H2,1-2H3/t17?,18-,22+,24?/m0/s1
SMILES: CC(=C)C1=CC([C@H]2[C@@H]1CC(CC2)(C)C)(C(=O)OC)C(=O)OC
InChI: InChI=1S/C18H26O4/c1-11(2)12-10-18(15(19)21-5,16(20)22-6)14-7-8-17(3,4)9-13(12)14/h10,13-14H,1,7-9H2,2-6H3/t13-,14-/m1/s1
SMILES: COC1=CC2=C(C=C1)[C@@H]3[C@H](C2)C[C@H](N3C(=O)OC)C(=O)OC
InChI: InChI=1S/C16H19NO5/c1-20-11-4-5-12-9(7-11)6-10-8-13(15(18)21-2)17(14(10)12)16(19)22-3/h4-5,7,10,13-14H,6,8H2,1-3H3/t10-,13+,14+/m1/s1
SMILES: C1C[C@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC=C(C=C4)F)[C@]5(N2C1)C6=C(C=CC(=C6)F)NC5=O
InChI: InChI=1S/C22H17F2N3O3/c23-11-3-6-13(7-4-11)27-19(28)17-16-2-1-9-26(16)22(18(17)20(27)29)14-10-12(24)5-8-15(14)25-21(22)30/h3-8,10,16-18H,1-2,9H2,(H,25,30)/t16-,17+,18-,22+/m0/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CBr)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4
InChI: InChI=1S/C28H31BrO5/c1-30-28-27(33-20-23-15-9-4-10-16-23)26(32-19-22-13-7-3-8-14-22)25(24(17-29)34-28)31-18-21-11-5-2-6-12-21/h2-16,24-28H,17-20H2,1H3/t24-,25-,26+,27-,28+/m1/s1
SMILES: CC1=CC(=CC=C1)[C@H](C)C(=O)O.C1[C@@H]([C@@H](C2=CC3=CC=CC=C3C=C21)N)O
InChI: InChI=1S/C13H13NO.C10H12O2/c14-13-11-6-9-4-2-1-3-8(9)5-10(11)7-12(13)15;1-7-4-3-5-9(6-7)8(2)10(11)12/h1-6,12-13,15H,7,14H2;3-6,8H,1-2H3,(H,11,12)/t12-,13+;8-/m00/s1
SMILES: CC1(O[C@@H]([C@@H](O1)C(=O)OC)[C@H](CCCNC(=O)OCC2=CC=CC=C2)N=C(C3=CC=CC=C3)C4=CC=CC=C4)C
InChI: InChI=1S/C32H36N2O6/c1-32(2)39-28(29(40-32)30(35)37-3)26(20-13-21-33-31(36)38-22-23-14-7-4-8-15-23)34-27(24-16-9-5-10-17-24)25-18-11-6-12-19-25/h4-12,14-19,26,28-29H,13,20-22H2,1-3H3,(H,33,36)/t26-,28+,29+/m0/s1
SMILES: CC1=CC[C@@H]2[C@@]([C@H]1CC/C=C(\C)/CO)(CCCC2(C)C)C
InChI: InChI=1S/C20H34O/c1-15(14-21)8-6-9-17-16(2)10-11-18-19(3,4)12-7-13-20(17,18)5/h8,10,17-18,21H,6-7,9,11-14H2,1-5H3/b15-8+/t17-,18-,20+/m0/s1
SMILES: CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1OC(=O)C)COC(=O)C)N=[N+]=[N-])OC(=O)C
InChI: InChI=1S/C14H20N4O8/c1-6(19)16-12-13(24-8(3)21)11(17-18-15)10(5-23-7(2)20)26-14(12)25-9(4)22/h10-14H,5H2,1-4H3,(H,16,19)/t10-,11-,12+,13+,14+/m1/s1
SMILES: C1[C@H]([C@H]2[C@H]([C@@H]([C@H](O2)C3=CC=CC=C3)OCC4=CC=CC=C4)OC1=O)O
InChI: InChI=1S/C20H20O5/c21-15-11-16(22)24-20-18(15)25-17(14-9-5-2-6-10-14)19(20)23-12-13-7-3-1-4-8-13/h1-10,15,17-21H,11-12H2/t15-,17-,18+,19-,20-/m1/s1
SMILES: CCN1CC=C2[C@@H](C1)[C@@H](C(C(=N)C2C#N)(C#N)C#N)[C@@H]3CCCC=C3
InChI: InChI=1S/C20H23N5/c1-2-25-9-8-15-16(10-21)19(24)20(12-22,13-23)18(17(15)11-25)14-6-4-3-5-7-14/h4,6,8,14,16-18,24H,2-3,5,7,9,11H2,1H3/t14-,16?,17+,18-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[Si](C)(C)C(C)(C)C)[C@@](C=C4[C@@]3(CC[C@@H](C4)O[Si](C)(C)C(C)(C)C)C)(CCCCCCCl)O
InChI: InChI=1S/C37H69ClO3Si2/c1-33(2,3)42(9,10)40-28-19-22-35(7)27(25-28)26-37(39,21-15-13-14-16-24-38)32-29-17-18-31(36(29,8)23-20-30(32)35)41-43(11,12)34(4,5)6/h26,28-32,39H,13-25H2,1-12H3/t28-,29-,30-,31-,32-,35-,36-,37-/m0/s1
SMILES: CC(C)CC(=O)O[C@@]1(CCC2=C([C@@H]1C(C)C)C=CC(=C2)F)CCN(C)CCCC3=NC4=CC=CC=C4N3
InChI: InChI=1S/C31H42FN3O2/c1-21(2)19-29(36)37-31(15-14-23-20-24(32)12-13-25(23)30(31)22(3)4)16-18-35(5)17-8-11-28-33-26-9-6-7-10-27(26)34-28/h6-7,9-10,12-13,20-22,30H,8,11,14-19H2,1-5H3,(H,33,34)/t30-,31-/m0/s1
SMILES: C/C=C/C[C@H]1[C@@H]2CC[C@H]3[C@@H]4CC[C@@H]([C@]4(CC[C@@H]3[C@]2(CCC1=O)C)C)[C@H](C)CCCC(C)C
InChI: InChI=1S/C31H52O/c1-7-8-12-24-27-14-13-23-26-16-15-25(22(4)11-9-10-21(2)3)30(26,5)19-17-28(23)31(27,6)20-18-29(24)32/h7-8,21-28H,9-20H2,1-6H3/b8-7+/t22-,23+,24+,25-,26+,27+,28+,30-,31+/m1/s1
SMILES: C1=CC=C(C(=C1)C2=NO[C@H]3[C@H]2C(=O)N(C3=O)C4=CC(=CC=C4)Cl)Cl
InChI: InChI=1S/C17H10Cl2N2O3/c18-9-4-3-5-10(8-9)21-16(22)13-14(20-24-15(13)17(21)23)11-6-1-2-7-12(11)19/h1-8,13,15H/t13-,15-/m0/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)C4=CC=CC=C4CNC(=O)C5=NC6=CC=CC=C6N=C5)CSC7=NC=CN7C
InChI: InChI=1S/C39H37N5O4S/c1-25-35(24-49-39-40-19-20-44(39)2)47-38(48-36(25)28-13-11-26(23-45)12-14-28)29-17-15-27(16-18-29)31-8-4-3-7-30(31)21-42-37(46)34-22-41-32-9-5-6-10-33(32)43-34/h3-20,22,25,35-36,38,45H,21,23-24H2,1-2H3,(H,42,46)/t25-,35+,36+,38+/m1/s1
SMILES: CONC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI: InChI=1S/C11H14N6O5/c1-21-16-10(20)7-5(18)6(19)11(22-7)17-3-15-4-8(12)13-2-14-9(4)17/h2-3,5-7,11,18-19H,1H3,(H,16,20)(H2,12,13,14)/t5-,6+,7-,11+/m0/s1
SMILES: CCC(=O)OC[C@]1([C@@H](C[C@@H]([C@H](O1)[C@H]2C[C@@H]([C@@H](O2)[C@@]3(CC[C@@H](O3)[C@@]4(CC[C@@]5(O4)C[C@@H]([C@H]([C@H](O5)[C@@H](C)[C@H]([C@H](C)C(=O)O)OC(=O)CC)C)O)C)C)C)C)C)O
InChI: InChI=1S/C40H66O13/c1-11-30(42)47-20-40(46)23(5)17-21(3)32(52-40)28-18-22(4)35(48-28)38(10)14-13-29(50-38)37(9)15-16-39(53-37)19-27(41)24(6)34(51-39)25(7)33(26(8)36(44)45)49-31(43)12-2/h21-29,32-35,41,46H,11-20H2,1-10H3,(H,44,45)/t21-,22-,23+,24+,25-,26-,27-,28+,29+,32-,33+,34-,35+,37-,38-,39+,40-/m0/s1
SMILES: CC[Si](CC)(CC)O[C@H](C#C)[C@@H]1[C@@H]2[C@H]([C@@H](O1)N3C4=NC=NC(=C4N=C3/N=C/C5=CC=C(C=C5)OC)NC(=O)C6=CC=CC=C6)OC(O2)(C)C
InChI: InChI=1S/C36H42N6O6Si/c1-8-26(48-49(9-2,10-3)11-4)28-29-30(47-36(5,6)46-29)34(45-28)42-32-27(40-35(42)37-21-23-17-19-25(44-7)20-18-23)31(38-22-39-32)41-33(43)24-15-13-12-14-16-24/h1,12-22,26,28-30,34H,9-11H2,2-7H3,(H,38,39,41,43)/b37-21+/t26-,28-,29-,30-,34-/m1/s1
SMILES: CCOC(=O)C[C@]1(C=C[C@@H]([C@H]2[C@@H]1[C@@H]3C[C@H]2C=C3)O)O
InChI: InChI=1S/C15H20O4/c1-2-19-12(17)8-15(18)6-5-11(16)13-9-3-4-10(7-9)14(13)15/h3-6,9-11,13-14,16,18H,2,7-8H2,1H3/t9-,10+,11+,13+,14+,15+/m1/s1
SMILES: CN1C2=CC=CC=C2[C@@]34[C@@]1(CCCC3)C(C[C@H]4/C=C/C5=CC=CC=C5)(C(=O)OC)C(=O)OC
InChI: InChI=1S/C28H31NO4/c1-29-23-14-8-7-13-22(23)26-17-9-10-18-28(26,29)27(24(30)32-2,25(31)33-3)19-21(26)16-15-20-11-5-4-6-12-20/h4-8,11-16,21H,9-10,17-19H2,1-3H3/b16-15+/t21-,26-,28+/m1/s1
SMILES: C([C@@H]1[C@H]([C@H]2[C@H]([C@H](O1)O)NS(=O)(=O)OO2)O)OS(=O)(=O)O
InChI: InChI=1S/C6H11NO11S2/c8-4-2(1-15-20(12,13)14)16-6(9)3-5(4)17-18-19(10,11)7-3/h2-9H,1H2,(H,12,13,14)/t2-,3-,4-,5-,6+/m1/s1
SMILES: CC1=C(C(=CC=C1)C)N=C2[C@@H]3C=CC=C4[C@@H]3C(=CC=C4)C2=NC5=C(C=CC=C5C)C
InChI: InChI=1S/C28H26N2/c1-17-9-5-10-18(2)25(17)29-27-22-15-7-13-21-14-8-16-23(24(21)22)28(27)30-26-19(3)11-6-12-20(26)4/h5-16,22,24H,1-4H3/t22-,24+/m1/s1
SMILES: CC1=CC=C(C=C1)OC(=O)C2=CC(=CC=C2)N3C(=O)[C@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C22H21NO4/c1-14-9-11-17(12-10-14)27-22(26)15-5-4-6-16(13-15)23-20(24)18-7-2-3-8-19(18)21(23)25/h4-6,9-13,18-19H,2-3,7-8H2,1H3/t18-,19-/m0/s1
SMILES: CC1(O[C@H]2[C@H]([C@@H]([C@@H]([C@H]2O1)OCC3=CC=CC=C3)O)C=C)C
InChI: InChI=1S/C17H22O4/c1-4-12-13(18)15(16-14(12)20-17(2,3)21-16)19-10-11-8-6-5-7-9-11/h4-9,12-16,18H,1,10H2,2-3H3/t12-,13-,14-,15-,16-/m0/s1
SMILES: [2H]C1=CC(=C(C2=C(C3C(=C4[C@@H]([C@H]([C@]([C@@H](C4=C3[N+]#N)OC(=O)C)(C)O)OC(=O)C)O)C(=C12)O)O)[O-])[2H]
InChI: InChI=1S/C22H20N2O9/c1-7(25)32-20-15-13(19(30)21(22(20,3)31)33-8(2)26)12-14(16(15)24-23)18(29)11-9(17(12)28)5-4-6-10(11)27/h4-6,14,19-21,23,30-31H,1-3H3,(H,27,29)/t14?,19-,20+,21+,22+/m0/s1/i5D,6D
SMILES: CCC(CC)(COCC1(CC1)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C)O
InChI: InChI=1S/C29H46O4/c1-5-29(32,6-2)19-33-18-28(14-15-28)26-12-11-24-21(8-7-13-27(24,26)4)9-10-22-16-23(30)17-25(31)20(22)3/h9-10,23-26,30-32H,3,5-8,11-19H2,1-2,4H3/b21-9+,22-10-/t23-,24+,25+,26+,27+/m1/s1
SMILES: C[C@@H](CC[C@@H]1[C@]2(CCCC([C@@H]2CC[C@@]1(C)O)(C)C)C)CCO
InChI: InChI=1S/C20H38O2/c1-15(10-14-21)7-8-17-19(4)12-6-11-18(2,3)16(19)9-13-20(17,5)22/h15-17,21-22H,6-14H2,1-5H3/t15-,16-,17+,19-,20+/m0/s1
SMILES: COC1=C(C(=C(C2=C1C=CO2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)O)C(=O)/C=C/C8=CC=CC=C8
InChI: InChI=1S/C52H48O9/c1-55-47-41-29-30-57-48(41)45(46(54)44(47)42(53)28-27-36-17-7-2-8-18-36)50-52(60-34-40-25-15-6-16-26-40)51(59-33-39-23-13-5-14-24-39)49(58-32-38-21-11-4-12-22-38)43(61-50)35-56-31-37-19-9-3-10-20-37/h2-30,43,49-52,54H,31-35H2,1H3/b28-27+/t43-,49-,50+,51+,52+/m1/s1
SMILES: CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)C#CC4=CC=C(C=C4)O)N)O)O
InChI: InChI=1S/C20H20N6O5/c1-2-22-19(30)16-14(28)15(29)20(31-16)26-9-23-13-17(21)24-12(25-18(13)26)8-5-10-3-6-11(27)7-4-10/h3-4,6-7,9,14-16,20,27-29H,2H2,1H3,(H,22,30)(H2,21,24,25)/t14-,15+,16-,20+/m0/s1
SMILES: C=CC[C@H]1[C@@]23C=C[C@@H](O2)[C@@H]([C@@H]3C(=O)N1C4=CC=C(C=C4)Br)C(=O)[O-]
InChI: InChI=1S/C18H16BrNO4/c1-2-3-13-18-9-8-12(24-18)14(17(22)23)15(18)16(21)20(13)11-6-4-10(19)5-7-11/h2,4-9,12-15H,1,3H2,(H,22,23)/p-1/t12-,13+,14+,15-,18-/m1/s1
SMILES: C/C=C\C1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4.Cl
InChI: InChI=1S/C23H22N2O3S.ClH/c1-2-9-17-14-29-22-18(24)21(26)25(22)19(17)23(27)28-20(15-10-5-3-6-11-15)16-12-7-4-8-13-16;/h2-13,18,20,22H,14,24H2,1H3;1H/b9-2-;/t18-,22-;/m1./s1
SMILES: CC1=CC(=C(C(=C1)C(C)(C)C)OC(=O)[C@@H]2[C@H](O2)C3=CC=C(C=C3)C(C)(C)C)C(C)(C)C
InChI: InChI=1S/C28H38O3/c1-17-15-20(27(5,6)7)23(21(16-17)28(8,9)10)31-25(29)24-22(30-24)18-11-13-19(14-12-18)26(2,3)4/h11-16,22,24H,1-10H3/t22-,24+/m1/s1
SMILES: COC(=O)CCC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O
InChI: InChI=1S/C11H18O9/c1-18-6(12)2-3-7(13)19-4-5-8(14)9(15)10(16)11(17)20-5/h5,8-11,14-17H,2-4H2,1H3/t5-,8+,9+,10-,11+/m1/s1
SMILES: C1=CC(=C(C=C1C=CC(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
InChI: InChI=1S/C15H18O9/c16-6-10-12(20)13(21)14(22)15(23-10)24-11(19)4-2-7-1-3-8(17)9(18)5-7/h1-5,10,12-18,20-22H,6H2/t10-,12-,13+,14-,15+/m1/s1
SMILES: CCCCCCCNC1=NC(=O)C2=C(C(=O)N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI: InChI=1S/C18H27N5O6/c1-2-3-4-5-6-7-19-18-21-15(27)11-12(16(28)22-18)23(9-20-11)17-14(26)13(25)10(8-24)29-17/h9-10,13-14,17,24-26H,2-8H2,1H3,(H2,19,21,22,27,28)/t10-,13-,14-,17-/m1/s1
SMILES: C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)/[C@@H]1CC=C2[C@@H](CCCC(C)(C)OCOC)C4CC4
InChI: InChI=1S/C43H76O4Si2/c1-31-34(28-35(46-48(12,13)40(2,3)4)29-39(31)47-49(14,15)41(5,6)7)23-22-33-18-16-27-43(10)37(33)24-25-38(43)36(32-20-21-32)19-17-26-42(8,9)45-30-44-11/h22-23,25,32,35-37,39H,1,16-21,24,26-30H2,2-15H3/b33-22+,34-23-/t35-,36+,37+,39+,43+/m1/s1
SMILES: CC[C@@]12C=CCN3[C@@H]1[C@]4(CC3)[C@H]([C@]([C@@H]2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)[C@]6(C7[C@H]8CC(O7)(CN(C8)CCC9=C6NC1=CC=CC=C91)CC)C(=O)OC)OC)C
InChI: InChI=1S/C46H56N4O9/c1-8-42-23-27-24-49(25-42)19-15-29-28-13-10-11-14-32(28)47-35(29)45(36(27)59-42,40(52)56-6)31-21-30-33(22-34(31)55-5)48(4)38-44(30)17-20-50-18-12-16-43(9-2,37(44)50)39(58-26(3)51)46(38,54)41(53)57-7/h10-14,16,21-22,27,36-39,47,54H,8-9,15,17-20,23-25H2,1-7H3/t27-,36?,37-,38+,39+,42?,43+,44+,45-,46-/m0/s1
SMILES: C=CCOC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOCC4=CC=C(C=C4)[N+](=O)[O-])C5=C[C@@H]([C@H]([C@H]2[C@@H]53)CCCCO)CCCCO)N(CC6=CC7=C(C=C6)OCO7)C(=O)OC8=CC=C(C=C8)[N+](=O)[O-])OCC=C
InChI: InChI=1S/C52H56N4O14/c1-3-25-64-40-20-22-45-43(29-40)49-41(10-6-8-24-58)36(9-5-7-23-57)28-42-44(53-68-32-34-11-14-37(15-12-34)55(60)61)30-48(52(70-45,50(42)49)67-26-4-2)54(31-35-13-21-46-47(27-35)66-33-65-46)51(59)69-39-18-16-38(17-19-39)56(62)63/h3-4,11-22,27-29,36,41,48-50,57-58H,1-2,5-10,23-26,30-33H2/t36-,41+,48-,49+,50+,52+/m0/s1
SMILES: COC(=O)C1=NN[C@@H]2[C@H]1C(=O)N(C2=O)C3=CC=CC4=CC=CC=C43
InChI: InChI=1S/C17H13N3O4/c1-24-17(23)14-12-13(18-19-14)16(22)20(15(12)21)11-8-4-6-9-5-2-3-7-10(9)11/h2-8,12-13,18H,1H3/t12-,13-/m1/s1
SMILES: C[C@H]1CCC[C@@H]([C@@H]1C)NC(=S)NNC(=O)C2=C(C=C(C=C2)F)F
InChI: InChI=1S/C16H21F2N3OS/c1-9-4-3-5-14(10(9)2)19-16(23)21-20-15(22)12-7-6-11(17)8-13(12)18/h6-10,14H,3-5H2,1-2H3,(H,20,22)(H2,19,21,23)/t9-,10+,14-/m0/s1
SMILES: CC(=O)C1=CC=CC=C1NC(=O)[C@H]2[C@@H]3CC[C@H]([C@@H]2C(=O)O)O3
InChI: InChI=1S/C16H17NO5/c1-8(18)9-4-2-3-5-10(9)17-15(19)13-11-6-7-12(22-11)14(13)16(20)21/h2-5,11-14H,6-7H2,1H3,(H,17,19)(H,20,21)/t11-,12+,13-,14-/m0/s1
SMILES: CC[C@@H]1CN2CC[C@@]34[C@H]2C[C@H]1CC3=NC5=CC=CC=C45
InChI: InChI=1S/C18H22N2/c1-2-12-11-20-8-7-18-14-5-3-4-6-15(14)19-16(18)9-13(12)10-17(18)20/h3-6,12-13,17H,2,7-11H2,1H3/t12-,13-,17-,18+/m1/s1
SMILES: CC[C@@H]1[C@H]([C@H](C2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)C(C)(C)C)NC4=CC=CC=C4)C
InChI: InChI=1S/C29H34N2O/c1-6-25-20(2)27(30-23-12-8-7-9-13-23)24-14-10-11-15-26(24)31(25)28(32)21-16-18-22(19-17-21)29(3,4)5/h7-20,25,27,30H,6H2,1-5H3/t20-,25-,27-/m1/s1
SMILES: CC1=CC2=C([C@@H]3C4[C@H]5C6=C(C(=C7C(=C6[C@@H](N4[C@H]([C@H](C2)N3C)O)COC(=O)[C@@]8(CS5)C9=CC(=C(C=C9CCN8)OC(=O)OC(C)(C)C)OC)OCO7)C)OC(=O)OC(C)(C)C)C(=C1OC)OC(=O)OC(C)(C)C
InChI: InChI=1S/C52H65N3O16S/c1-24-17-27-18-29-44(56)55-30-21-63-45(57)52(28-20-31(61-13)32(19-26(28)15-16-53-52)66-46(58)69-49(3,4)5)22-72-43(35-34(30)41-40(64-23-65-41)25(2)39(35)67-47(59)70-50(6,7)8)37(55)36(54(29)12)33(27)42(38(24)62-14)68-48(60)71-51(9,10)11/h17,19-20,29-30,36-37,43-44,53,56H,15-16,18,21-23H2,1-14H3/t29-,30-,36+,37?,43+,44-,52+/m0/s1
SMILES: C[C@@]12CCC3[C@@](C1CCC4=C(C2)CC[C@@H]5[C@@]4(CC[C@H](C5(C)C)C(=O)O)C)(CC[C@H](C3(C)C)OC)C
InChI: InChI=1S/C32H52O3/c1-28(2)22(27(33)34)13-17-31(6)21-10-12-25-30(5,19-20(21)9-11-23(28)31)16-14-24-29(3,4)26(35-8)15-18-32(24,25)7/h22-26H,9-19H2,1-8H3,(H,33,34)/t22-,23-,24?,25?,26+,30-,31+,32-/m0/s1
SMILES: C[C@@H]1[C@@H](O[C@@H](O[C@@H]1C2=CC=C(C=C2)CO)C3=CC(=CC=C3)NC(=O)C4=NC5=CC=CC=C5N=C4)CN(C)CC6=CC=CC=C6
InChI: InChI=1S/C36H36N4O4/c1-24-33(22-40(2)21-25-9-4-3-5-10-25)43-36(44-34(24)27-17-15-26(23-41)16-18-27)28-11-8-12-29(19-28)38-35(42)32-20-37-30-13-6-7-14-31(30)39-32/h3-20,24,33-34,36,41H,21-23H2,1-2H3,(H,38,42)/t24-,33+,34+,36+/m1/s1
SMILES: CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@@H]1CC5=C3C(=C(C=C5)OC)O4)O
InChI: InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16-,17-,18+/m0/s1
SMILES: CC[C@@]1(CCN(C1)CCOC2=CC=C(C=C2)[C@H]3[C@H](SC4=C(O3)C=CC(=C4)O)C5=CC(=CC=C5)O)C
InChI: InChI=1S/C29H33NO4S/c1-3-29(2)13-14-30(19-29)15-16-33-24-10-7-20(8-11-24)27-28(21-5-4-6-22(31)17-21)35-26-18-23(32)9-12-25(26)34-27/h4-12,17-18,27-28,31-32H,3,13-16,19H2,1-2H3/t27-,28+,29+/m0/s1
SMILES: COC1=C(C(=C(C(=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)C(=O)N)Br)Br)O
InChI: InChI=1S/C36H28Br2N2O7/c1-47-25-15-23(29(37)30(38)32(25)43)28-19-12-13-20-27(34(45)40(33(20)44)35(39)46)22(19)14-24-31(42)21(17-8-4-2-5-9-17)16-26(41)36(24,28)18-10-6-3-7-11-18/h2-12,15-16,20,22,24,27-28,43H,13-14H2,1H3,(H2,39,46)/t20-,22+,24-,27-,28+,36-/m0/s1
SMILES: CC[C@H]1C[C@@H]2[C@H](C3=C1C4=CC=CC=C4N3)C(=O)N(C2=O)C5=CC=CC=C5
InChI: InChI=1S/C22H20N2O2/c1-2-13-12-16-19(20-18(13)15-10-6-7-11-17(15)23-20)22(26)24(21(16)25)14-8-4-3-5-9-14/h3-11,13,16,19,23H,2,12H2,1H3/t13-,16+,19+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@@H]2[C@H](O1)O[C@@](O2)(C)OC[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)OC)OCC4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C32H42O17/c1-16(33)39-14-22-24(42-17(2)34)27(45-20(5)37)29-31(47-22)49-32(6,48-29)41-15-23-25(43-18(3)35)26(44-19(4)36)28(30(38-7)46-23)40-13-21-11-9-8-10-12-21/h8-12,22-31H,13-15H2,1-7H3/t22-,23-,24+,25-,26+,27+,28-,29-,30+,31-,32+/m1/s1
SMILES: C[C@@H]1CCCC[C@H]1N2C(=NN=C2SCC(=O)C3=C(C=C(C=C3)C)C)C4=CN=CC=C4
InChI: InChI=1S/C24H28N4OS/c1-16-10-11-20(18(3)13-16)22(29)15-30-24-27-26-23(19-8-6-12-25-14-19)28(24)21-9-5-4-7-17(21)2/h6,8,10-14,17,21H,4-5,7,9,15H2,1-3H3/t17-,21-/m1/s1
SMILES: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)C3=CSC(=C3)C(=O)NC)O
InChI: InChI=1S/C15H16N2O5S/c1-6(18)11-9-4-8(12(15(21)22)17(9)14(11)20)7-3-10(23-5-7)13(19)16-2/h3,5-6,9,11,18H,4H2,1-2H3,(H,16,19)(H,21,22)/t6-,9-,11-/m1/s1
SMILES: C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)NC2=C(C(=C(C=C2)F)F)F
InChI: InChI=1S/C16H21F3N2O/c1-9-5-3-4-6-12(9)20-10(2)16(22)21-13-8-7-11(17)14(18)15(13)19/h7-10,12,20H,3-6H2,1-2H3,(H,21,22)/p+1/t9-,10+,12+/m1/s1
SMILES: C1CCN2CCC[C@@H]([C@H]2C1)CN3C4=CC=CC=C4SC5=CC=CC=C53
InChI: InChI=1S/C22H26N2S/c1-3-12-21-19(10-1)24(20-11-2-4-13-22(20)25-21)16-17-8-7-15-23-14-6-5-9-18(17)23/h1-4,10-13,17-18H,5-9,14-16H2/t17-,18-/m1/s1
SMILES: C[C@@H]1[C@@H]2[C@@H](CC3=C(C[C@H]4C(=O)C=C(C(=O)[C@]4([C@@H]23)C)C)O[Si](C)(C)C(C)(C)C)OC1=O
InChI: InChI=1S/C24H34O5Si/c1-12-9-16(25)15-11-17(29-30(7,8)23(3,4)5)14-10-18-19(13(2)22(27)28-18)20(14)24(15,6)21(12)26/h9,13,15,18-20H,10-11H2,1-8H3/t13-,15+,18-,19-,20-,24-/m1/s1
SMILES: C/C=C/1\C[C@H]([C@@](C(=O)OC/C/2=C/CN(CC[C@H](C2=O)OC1=O)C)(C)O)C
InChI: InChI=1S/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,12,15,24H,7-11H2,1-4H3/b13-5+,14-6-/t12-,15-,19-/m1/s1
SMILES: COC1=CC(=C(C(=C1)OC)C[C@H]([C@H](C2=CC(=C(C(=C2)OC)OC)OC)C3=C(C=C(C4=C3O[C@@H]([C@@H](C4)O)C5=CC(=C(C(=C5)OC)OC)OC)OC)OC)O)OC
InChI: InChI=1S/C41H50O14/c1-44-23-16-28(45-2)24(29(17-23)46-3)18-26(42)36(21-12-32(49-6)40(53-10)33(13-21)50-7)37-31(48-5)20-30(47-4)25-19-27(43)38(55-39(25)37)22-14-34(51-8)41(54-11)35(15-22)52-9/h12-17,20,26-27,36,38,42-43H,18-19H2,1-11H3/t26-,27-,36+,38-/m1/s1
SMILES: CC(C)NC[C@]1(CC[C@H]2[C@@]1(CC[C@@H]3[C@@H]2CC[C@@H]4[C@@]3(CCCC4)C)C)O
InChI: InChI=1S/C23H41NO/c1-16(2)24-15-23(25)14-11-20-18-9-8-17-7-5-6-12-21(17,3)19(18)10-13-22(20,23)4/h16-20,24-25H,5-15H2,1-4H3/t17-,18+,19-,20-,21+,22+,23+/m1/s1
SMILES: C1=CC=C(C=C1)COC[C@H]2[C@@H]([C@@H]([C@H]([C@@H]2O)O)O)NC(=O)C(Cl)(Cl)Cl
InChI: InChI=1S/C15H18Cl3NO5/c16-15(17,18)14(23)19-10-9(11(20)13(22)12(10)21)7-24-6-8-4-2-1-3-5-8/h1-5,9-13,20-22H,6-7H2,(H,19,23)/t9-,10-,11+,12-,13-/m0/s1
SMILES: C[C@@H]1CC[C@@H]2[C@@H](C1)NC3=C(C2(C)C)C=C(C=C3Br)C
InChI: InChI=1S/C17H24BrN/c1-10-5-6-12-15(9-10)19-16-13(17(12,3)4)7-11(2)8-14(16)18/h7-8,10,12,15,19H,5-6,9H2,1-4H3/t10-,12-,15-/m1/s1
SMILES: C[C@@]12C[C@@H]([C@@](O1)([C@H](CO2)O)C(=O)OC)C(=O)N3[C@@H]4C[C@H]5CC[C@@]4(C5(C)C)CS3(=O)=O
InChI: InChI=1S/C20H29NO8S/c1-17(2)11-5-6-19(17)10-30(25,26)21(13(19)7-11)15(23)12-8-18(3)28-9-14(22)20(12,29-18)16(24)27-4/h11-14,22H,5-10H2,1-4H3/t11-,12-,13-,14+,18+,19-,20-/m1/s1
SMILES: CC1=NN(C2=C1C=C(C=N2)CN3CCN([C@@H](C3)C(=O)NC(C)(C)C)C[C@H](C[C@H](CC4=CC=CC=C4)C(=O)N[C@@H]5[C@@H](CC6=CC=CC=C56)O)O)C
InChI: InChI=1S/C39H51N7O4/c1-25-32-18-27(21-40-36(32)44(5)43-25)22-45-15-16-46(33(24-45)38(50)42-39(2,3)4)23-30(47)19-29(17-26-11-7-6-8-12-26)37(49)41-35-31-14-10-9-13-28(31)20-34(35)48/h6-14,18,21,29-30,33-35,47-48H,15-17,19-20,22-24H2,1-5H3,(H,41,49)(H,42,50)/t29-,30-,33-,34+,35-/m0/s1
SMILES: C[C@@H]1[C@H]([C@@H](CC(O1)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C12H18O7/c1-6-12(19-9(4)15)10(17-7(2)13)5-11(16-6)18-8(3)14/h6,10-12H,5H2,1-4H3/t6-,10-,11?,12-/m1/s1
SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](/C(=N/OCCCOC2=CC=CC=C2)/[C@@H](CC([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)OC(=O)CC3=CN=CC=C3)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)O)C)C)O)(C)O
InChI: InChI=1S/C45H69N3O12/c1-11-35-45(8,54)40(51)29(4)37(47-56-22-16-21-55-33-18-13-12-14-19-33)27(2)25-44(7,53)41(60-43-38(50)34(48(9)10)23-28(3)57-43)30(5)39(31(6)42(52)58-35)59-36(49)24-32-17-15-20-46-26-32/h12-15,17-20,26-31,34-35,38-41,43,50-51,53-54H,11,16,21-25H2,1-10H3/b47-37+/t27-,28-,29+,30+,31-,34+,35-,38-,39+,40-,41-,43+,44?,45-/m1/s1
SMILES: C1C=C[C@@H]2[C@H]1[C@@H](NC3=C2C=C(C=C3)C(=O)O)C4=CN=CC=C4
InChI: InChI=1S/C18H16N2O2/c21-18(22)11-6-7-16-15(9-11)13-4-1-5-14(13)17(20-16)12-3-2-8-19-10-12/h1-4,6-10,13-14,17,20H,5H2,(H,21,22)/t13-,14+,17+/m1/s1
SMILES: C[C@]12CCC/C(=C\C=C/3\C[C@H](CCC3=C)O)/[C@@H]1CC[C@@H]2C(=O)CO
InChI: InChI=1S/C21H30O3/c1-14-5-8-17(23)12-16(14)7-6-15-4-3-11-21(2)18(15)9-10-19(21)20(24)13-22/h6-7,17-19,22-23H,1,3-5,8-13H2,2H3/b15-6+,16-7-/t17-,18-,19+,21-/m0/s1
SMILES: CSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N(C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7
InChI: InChI=1S/C39H31N5O7S/c1-52-22-29-31(50-38(47)27-18-10-4-11-19-27)32(51-39(48)28-20-12-5-13-21-28)37(49-29)43-24-42-30-33(43)40-23-41-34(30)44(35(45)25-14-6-2-7-15-25)36(46)26-16-8-3-9-17-26/h2-21,23-24,29,31-32,37H,22H2,1H3/t29-,31-,32-,37-/m1/s1
SMILES: C[C@@H]1[C@@H]2C[C@@H](C2(C)C)C3=C1N=C(C=C3)C4=[N+](C5=C(C=C4)[C@H]6C[C@@H]([C@H]5C)C6(C)C)[O-]
InChI: InChI=1S/C26H32N2O/c1-13-17-11-19(25(17,3)4)15-7-9-21(27-23(13)15)22-10-8-16-20-12-18(26(20,5)6)14(2)24(16)28(22)29/h7-10,13-14,17-20H,11-12H2,1-6H3/t13-,14-,17+,18+,19-,20-/m1/s1
SMILES: C=CCC1=C(C(=CC=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)O)O
InChI: InChI=1S/C29H23Cl2FN2O6/c1-2-4-14-5-3-6-19(23(14)35)22-17-11-12-18-21(25(37)34(40)24(18)36)20(17)13-28(30)26(38)33(27(39)29(22,28)31)16-9-7-15(32)8-10-16/h2-3,5-11,18,20-22,35,40H,1,4,12-13H2/t18-,20+,21-,22+,28+,29-/m0/s1
SMILES: C[C@@H]1CC[C@]2([C@H](C[C@@H]1C2=O)C=C)S(=O)(=O)C3=CC=CC=C3
InChI: InChI=1S/C17H20O3S/c1-3-13-11-15-12(2)9-10-17(13,16(15)18)21(19,20)14-7-5-4-6-8-14/h3-8,12-13,15H,1,9-11H2,2H3/t12-,13+,15+,17-/m1/s1
SMILES: CC(=O)O[C@H]1C[Si]([C@@H]([C@H]1OC(=O)C)[C@@H](C2=CC=CC=C2)OC(=O)C)(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C29H30O6Si/c1-20(30)33-26-19-36(24-15-9-5-10-16-24,25-17-11-6-12-18-25)29(28(26)35-22(3)32)27(34-21(2)31)23-13-7-4-8-14-23/h4-18,26-29H,19H2,1-3H3/t26-,27+,28-,29+/m0/s1
SMILES: C[C@]12CC[C@H]([C@@]([C@@H]1CC[C@@H]3[C@@]24CC[C@@]([C@@H](C3)C4)(CO)O)(C)CO)O
InChI: InChI=1S/C20H34O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h13-16,21-24H,3-12H2,1-2H3/t13-,14-,15-,16+,17-,18-,19-,20-/m0/s1
SMILES: CC1=C[C@@H]2[C@@]3(CC1)COC(=O)/C=C/4\CCOC(C4O)(/C=C/C=C\C(=O)O[C@H]5[C@]3([C@]6(CO6)[C@@H](C5)O2)C)C(C)O
InChI: InChI=1S/C29H36O9/c1-17-7-10-27-15-34-24(32)13-19-8-11-35-28(18(2)30,25(19)33)9-5-4-6-23(31)38-20-14-22(37-21(27)12-17)29(16-36-29)26(20,27)3/h4-6,9,12-13,18,20-22,25,30,33H,7-8,10-11,14-16H2,1-3H3/b6-4-,9-5+,19-13+/t18?,20-,21-,22-,25?,26-,27-,28?,29+/m1/s1
SMILES: CC1=CC2=C(C=C1)NC(=O)[C@@]23[C@H]4[C@@H]([C@H]5N3CCC5)C(=O)N(C4=O)C6=CC=CC=C6
InChI: InChI=1S/C23H21N3O3/c1-13-9-10-16-15(12-13)23(22(29)24-16)19-18(17-8-5-11-25(17)23)20(27)26(21(19)28)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17-19H,5,8,11H2,1H3,(H,24,29)/t17-,18+,19-,23-/m0/s1
SMILES: CCOC1=C(C=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3C[C@@H]5[C@]2(C(=O)N(C5=O)C6=CC(=NN6C)C7=C(C8=C(S7)C=CC(=C8)Cl)C)C)C(=O)N(C4=O)C)O
InChI: InChI=1S/C37H35ClN4O6S/c1-6-48-27-13-18(7-11-26(27)43)31-20-9-10-21-30(35(46)40(4)33(21)44)23(20)15-24-34(45)42(36(47)37(24,31)3)29-16-25(39-41(29)5)32-17(2)22-14-19(38)8-12-28(22)49-32/h7-9,11-14,16,21,23-24,30-31,43H,6,10,15H2,1-5H3/t21-,23+,24-,30-,31-,37+/m0/s1
SMILES: COC1=C2C(=C(C=C1)Cl)[C@@H]3C=CC[C@H]3[C@@H](N2)C4=CC=C(C=C4)C(=O)OC
InChI: InChI=1S/C21H20ClNO3/c1-25-17-11-10-16(22)18-14-4-3-5-15(14)19(23-20(17)18)12-6-8-13(9-7-12)21(24)26-2/h3-4,6-11,14-15,19,23H,5H2,1-2H3/t14-,15-,19+/m1/s1
SMILES: CCCC1=CC=C(C=C1)N2C[C@@]3(C(=O)[C@H]4[C@@H](CO3)OC(O4)(C)C)OC2=O
InChI: InChI=1S/C19H23NO6/c1-4-5-12-6-8-13(9-7-12)20-11-19(26-17(20)22)16(21)15-14(10-23-19)24-18(2,3)25-15/h6-9,14-15H,4-5,10-11H2,1-3H3/t14-,15-,19+/m1/s1