EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C[C@H]1O[C@@H]([C@H](O1)C2=CC(=CC(=C2)OC)OC)CC(=O)OC
InChI: InChI=1S/C15H20O6/c1-9-20-13(8-14(16)19-4)15(21-9)10-5-11(17-2)7-12(6-10)18-3/h5-7,9,13,15H,8H2,1-4H3/t9-,13+,15+/m0/s1
SMILES: C1CO[C@@H]2[C@H]1[C@H]3[C@@]45C=C[C@@H](O4)[C@@H]([C@@H]5C(=O)N3C6=CC=CC=C26)C(=O)O
InChI: InChI=1S/C19H17NO5/c21-17-14-13(18(22)23)12-5-7-19(14,25-12)16-10-6-8-24-15(10)9-3-1-2-4-11(9)20(16)17/h1-5,7,10,12-16H,6,8H2,(H,22,23)/t10-,12+,13-,14+,15-,16-,19-/m0/s1
SMILES: C[C@@H]1CCC[C@H]([C@H]1C)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)C
InChI: InChI=1S/C19H27N5OS/c1-12-7-9-15(10-8-12)18-22-23-19(24(18)20)26-11-17(25)21-16-6-4-5-13(2)14(16)3/h7-10,13-14,16H,4-6,11,20H2,1-3H3,(H,21,25)/t13-,14+,16-/m1/s1
SMILES: COC([C@@H]1[C@@H](C(=O)N1CC2=CC=CC=C2)OC3=CC=CC=C3)OC
InChI: InChI=1S/C19H21NO4/c1-22-19(23-2)16-17(24-15-11-7-4-8-12-15)18(21)20(16)13-14-9-5-3-6-10-14/h3-12,16-17,19H,13H2,1-2H3/t16-,17-/m0/s1
SMILES: C[C@H]1CC[C@@H]([C@@H](C1)OC[C@@H](CN2C[C@H](O[C@H](C2)C)C)O)C(C)C
InChI: InChI=1S/C19H37NO3/c1-13(2)18-7-6-14(3)8-19(18)22-12-17(21)11-20-9-15(4)23-16(5)10-20/h13-19,21H,6-12H2,1-5H3/t14-,15-,16+,17+,18+,19+/m0/s1
SMILES: C[C@H]1C[C@]2(C(=O)[C@@H](O1)O[C@@H]3C[C@@H]4C[C@H]5[C@]6(O5)[C@@H]([C@]4(C[C@H]3O2)C)[C@@H](C(=O)[C@]7([C@@]6(CC[C@@H]7C8=COC(=O)C=C8)O)C)O)OC
InChI: InChI=1S/C31H38O11/c1-14-11-29(37-4)25(35)26(39-14)40-18-9-16-10-20-31(42-20)23(27(16,2)12-19(18)41-29)22(33)24(34)28(3)17(7-8-30(28,31)36)15-5-6-21(32)38-13-15/h5-6,13-14,16-20,22-23,26,33,36H,7-12H2,1-4H3/t14-,16+,17+,18+,19+,20-,22-,23+,26-,27-,28-,29-,30+,31-/m0/s1
SMILES: C[C@@H]1C[C@@H]1C2=CC=C(O2)/C=N\NC(=O)CSC3=CC=CC4=C3N=CC=C4
InChI: InChI=1S/C20H19N3O2S/c1-13-10-16(13)17-8-7-15(25-17)11-22-23-19(24)12-26-18-6-2-4-14-5-3-9-21-20(14)18/h2-9,11,13,16H,10,12H2,1H3,(H,23,24)/b22-11-/t13-,16+/m1/s1
SMILES: C[C@H]1[C@H]2C[C@@H]3[C@@H](CC=C3C)C(=C)C[C@@H]2OC1=O
InChI: InChI=1S/C15H20O2/c1-8-4-5-11-9(2)6-14-13(7-12(8)11)10(3)15(16)17-14/h4,10-14H,2,5-7H2,1,3H3/t10-,11-,12-,13+,14-/m0/s1
SMILES: CC(=O)C1=CC(=CC=C1)NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)NCC=C
InChI: InChI=1S/C19H23N3O6/c1-3-7-20-18(24)22-14-9-26-17-15(10-27-16(14)17)28-19(25)21-13-6-4-5-12(8-13)11(2)23/h3-6,8,14-17H,1,7,9-10H2,2H3,(H,21,25)(H2,20,22,24)/t14-,15+,16+,17+/m0/s1
SMILES: CN1C(=O)N2CC[C@H]3[C@@H](N2C1=O)[C@@H]([C@H]4[C@@H](C3=NOCC5=CC=CC=C5)O4)O
InChI: InChI=1S/C18H20N4O5/c1-20-17(24)21-8-7-11-12(19-26-9-10-5-3-2-4-6-10)15-16(27-15)14(23)13(11)22(21)18(20)25/h2-6,11,13-16,23H,7-9H2,1H3/t11-,13-,14+,15-,16+/m1/s1
SMILES: C/C=C(\C)/C(=O)O[C@@H]1[C@@H]2[C@@H]3[C@@]4(O3)[C@H](CC[C@@]5([C@H]4CC(=O)O[C@H]5C6=COC=C6)C)[C@@](C2=O)([C@H](C1(C)C)CC(=O)OC)C
InChI: InChI=1S/C32H40O9/c1-8-16(2)28(36)40-26-23-24(35)31(6,19(29(26,3)4)13-21(33)37-7)18-9-11-30(5)20(32(18)27(23)41-32)14-22(34)39-25(30)17-10-12-38-15-17/h8,10,12,15,18-20,23,25-27H,9,11,13-14H2,1-7H3/b16-8+/t18-,19+,20-,23-,25+,26-,27-,30-,31-,32-/m1/s1
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C(C=C(C(=C52)O[C@H]3[C@H](C=C4)O)O)Br
InChI: InChI=1S/C17H18BrNO3/c1-19-5-4-17-9-2-3-12(20)16(17)22-15-13(21)7-10(18)8(14(15)17)6-11(9)19/h2-3,7,9,11-12,16,20-21H,4-6H2,1H3/t9-,11+,12-,16-,17-/m0/s1
SMILES: C1CC(C=C1)O/N=C(/C2=NSC(=N2)N)\C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)C[N+]5=C6C=CC=NN6C=C5)C(=O)[O-]
InChI: InChI=1S/C23H21N9O5S2/c24-23-27-18(29-39-23)15(28-37-13-4-1-2-5-13)19(33)26-16-20(34)32-17(22(35)36)12(11-38-21(16)32)10-30-8-9-31-14(30)6-3-7-25-31/h1,3-4,6-9,13,16,21H,2,5,10-11H2,(H3-,24,26,27,29,33,35,36)/b28-15-/t13?,16-,21-/m1/s1
SMILES: CCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOCC)C4=C[C@@H]([C@H]([C@H]2[C@@H]43)CCCCO)CCCCO)N(CC5=CC=CC6=CC=CC=C65)C(=O)OCCC=C)OCC=C
InChI: InChI=1S/C48H61N3O9/c1-5-9-28-56-47(55)51(32-35-20-16-19-33-17-10-11-21-37(33)35)43-31-41(50-58-8-4)39-29-34(18-12-14-25-52)38(22-13-15-26-53)44-40-30-36(59-46(54)49-7-3)23-24-42(40)60-48(43,45(39)44)57-27-6-2/h5-6,10-11,16-17,19-21,23-24,29-30,34,38,43-45,52-53H,1-2,7-9,12-15,18,22,25-28,31-32H2,3-4H3,(H,49,54)/t34-,38+,43-,44+,45+,48+/m0/s1
SMILES: CC(C)(C)O[C@@H]1CCCN([C@@H]1C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI: InChI=1S/C25H29NO5/c1-25(2,3)31-21-13-8-14-26(22(21)23(27)28)24(29)30-15-20-18-11-6-4-9-16(18)17-10-5-7-12-19(17)20/h4-7,9-12,20-22H,8,13-15H2,1-3H3,(H,27,28)/t21-,22+/m1/s1
SMILES: C1=CC=C(C=C1)CC[C@@H](C(=O)NCCCO)NC(=O)[C@@H]2[C@H](O2)C(=O)O
InChI: InChI=1S/C17H22N2O6/c20-10-4-9-18-15(21)12(8-7-11-5-2-1-3-6-11)19-16(22)13-14(25-13)17(23)24/h1-3,5-6,12-14,20H,4,7-10H2,(H,18,21)(H,19,22)(H,23,24)/t12-,13-,14-/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=CC=C6C(=O)[O-]
InChI: InChI=1S/C25H17NO4/c27-23-21-19-13-7-1-2-8-14(13)20(16-10-4-3-9-15(16)19)22(21)24(28)26(23)18-12-6-5-11-17(18)25(29)30/h1-12,19-22H,(H,29,30)/p-1/t19?,20?,21-,22-/m1/s1
SMILES: CC[C@H](C)OC(=O)C1=C(N=C2CCCC(=O)[C@H]2[C@@H]1C3=CC=CS3)C
InChI: InChI=1S/C19H23NO3S/c1-4-11(2)23-19(22)16-12(3)20-13-7-5-8-14(21)17(13)18(16)15-9-6-10-24-15/h6,9-11,17-18H,4-5,7-8H2,1-3H3/t11-,17-,18+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32
InChI: InChI=1S/C19H22N4O5/c1-11-6-2-5-9-14(11)20-19(27)21-15(24)10-28-18(26)16-12-7-3-4-8-13(12)17(25)23-22-16/h3-4,7-8,11,14H,2,5-6,9-10H2,1H3,(H,23,25)(H2,20,21,24,27)/t11-,14-/m0/s1
SMILES: C/C/1=C\C2[C@@H]([C@@H]([C@H](C(=CCC1)C=O)OC(=O)C(C)C)OC(=O)C(C)C)C(=C)C(=O)O2
InChI: InChI=1S/C23H30O7/c1-12(2)21(25)29-19-16(11-24)9-7-8-14(5)10-17-18(15(6)23(27)28-17)20(19)30-22(26)13(3)4/h9-13,17-20H,6-8H2,1-5H3/b14-10+,16-9?/t17?,18-,19-,20-/m0/s1
SMILES: C[C@@]12CCCC[C@H]1CC/C(=C\C3=CC=C(C=C3)C(F)(F)F)/C2=O
InChI: InChI=1S/C19H21F3O/c1-18-11-3-2-4-15(18)10-7-14(17(18)23)12-13-5-8-16(9-6-13)19(20,21)22/h5-6,8-9,12,15H,2-4,7,10-11H2,1H3/b14-12+/t15-,18+/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2OC(=O)C4=CN(C=CC4)C)CCC5=C3C=CC(=C5)OC
InChI: InChI=1S/C26H33NO3/c1-26-13-12-21-20-9-7-19(29-3)15-17(20)6-8-22(21)23(26)10-11-24(26)30-25(28)18-5-4-14-27(2)16-18/h4,7,9,14-16,21-24H,5-6,8,10-13H2,1-3H3/t21-,22-,23+,24?,26+/m1/s1
SMILES: C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)COC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)O)C)O)OC(=O)C)OC(=O)CC8=CC=CC=C8
InChI: InChI=1S/C49H50O8/c1-31-26-40-46(53,43(31)52)29-35(30-55-48(36-20-12-7-13-21-36,37-22-14-8-15-23-37)38-24-16-9-17-25-38)27-39-42-45(4,5)49(42,57-33(3)50)44(32(2)47(39,40)54)56-41(51)28-34-18-10-6-11-19-34/h6-27,32,39-40,42,44,53-54H,28-30H2,1-5H3/t32-,39+,40-,42-,44-,46-,47-,49-/m1/s1
SMILES: C[C@@H](C(=O)N[C@H](CCC(=O)O)C(=O)N)NC(=O)[C@@H](C)O[C@@H]1[C@@H]2[C@H](C[C@@H]([C@H]1O)CO)OC(=O)N2
InChI: InChI=1S/C19H30N4O10/c1-7(17(29)22-10(16(20)28)3-4-12(25)26)21-18(30)8(2)32-15-13-11(33-19(31)23-13)5-9(6-24)14(15)27/h7-11,13-15,24,27H,3-6H2,1-2H3,(H2,20,28)(H,21,30)(H,22,29)(H,23,31)(H,25,26)/t7-,8+,9+,10+,11-,13-,14+,15+/m0/s1
SMILES: CC1=CC(=O)C2=C(C1=O)C[C@H]3[C@@H]4[C@H](CC=C3[C@@H]2C5=CC(=C(C=C5)O)F)C(=O)N(C4=O)C6=CC=C(C=C6)N7CCOCC7
InChI: InChI=1S/C33H29FN2O6/c1-17-14-27(38)30-24(31(17)39)16-23-21(28(30)18-2-9-26(37)25(34)15-18)7-8-22-29(23)33(41)36(32(22)40)20-5-3-19(4-6-20)35-10-12-42-13-11-35/h2-7,9,14-15,22-23,28-29,37H,8,10-13,16H2,1H3/t22-,23+,28-,29-/m0/s1
SMILES: CC(C)C[C@H]1C(=O)N2[C@H](N1C(=O)OCC3=CC=CC=C3)[C@@](C4=CC=CC=C42)(C[C@H](C(=O)OC)NC(=O)OCC(Cl)(Cl)Cl)O
InChI: InChI=1S/C29H32Cl3N3O8/c1-17(2)13-22-23(36)34-21-12-8-7-11-19(21)28(40,14-20(24(37)41-3)33-26(38)43-16-29(30,31)32)25(34)35(22)27(39)42-15-18-9-5-4-6-10-18/h4-12,17,20,22,25,40H,13-16H2,1-3H3,(H,33,38)/t20-,22+,25-,28+/m1/s1
SMILES: CC(=O)[C@]12CC[C@@H]([C@]1(C2)C(=C)COCC3=CC=C(C=C3)OC)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C25H38O4Si/c1-18(15-28-16-20-9-11-21(27-6)12-10-20)25-17-24(25,19(2)26)14-13-22(25)29-30(7,8)23(3,4)5/h9-12,22H,1,13-17H2,2-8H3/t22-,24+,25-/m0/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N[C@H]2[C@@H](C3=CC=CC4=C3C2=CC=C4)SC5=NN=CN5NC6=CCCC6
InChI: InChI=1S/C26H25N5O2S2/c1-17-12-14-20(15-13-17)35(32,33)30-24-21-10-4-6-18-7-5-11-22(23(18)21)25(24)34-26-28-27-16-31(26)29-19-8-2-3-9-19/h4-8,10-16,24-25,29-30H,2-3,9H2,1H3/t24-,25-/m1/s1
SMILES: C1=CC=C2C(=C1)NC(=N2)NC(=O)C3=CC=CC(=C3)CN4[C@@H]([C@@H]([C@H]([C@H](N(C4=O)CC5=CC(=CC=C5)C(=O)NC6=NC7=CC=CC=C7N6)CC8=CC=C(C=C8)N)O)O)CC9=CC=C(C=C9)N
InChI: InChI=1S/C49H46N10O5/c50-35-19-15-29(16-20-35)25-41-43(60)44(61)42(26-30-17-21-36(51)22-18-30)59(28-32-8-6-10-34(24-32)46(63)57-48-54-39-13-3-4-14-40(39)55-48)49(64)58(41)27-31-7-5-9-33(23-31)45(62)56-47-52-37-11-1-2-12-38(37)53-47/h1-24,41-44,60-61H,25-28,50-51H2,(H2,52,53,56,62)(H2,54,55,57,63)/t41-,42-,43+,44+/m1/s1
SMILES: C[C@@]12C3=C(C=CC(=C3OC)OC)[C@@H]([C@]14N2CCC5=CC6=C(C=C45)OCO6)O
InChI: InChI=1S/C21H21NO5/c1-20-17-12(4-5-14(24-2)18(17)25-3)19(23)21(20)13-9-16-15(26-10-27-16)8-11(13)6-7-22(20)21/h4-5,8-9,19,23H,6-7,10H2,1-3H3/t19-,20+,21-,22?/m0/s1
SMILES: C1CC2=C(C=CC3=CC4=C(C=CC5=CC=CC=C54)C=C23)[C@@H]([C@H]1O)O
InChI: InChI=1S/C22H18O2/c23-21-10-9-17-18(22(21)24)8-7-15-11-19-14(12-20(15)17)6-5-13-3-1-2-4-16(13)19/h1-8,11-12,21-24H,9-10H2/t21-,22-/m0/s1
SMILES: C[C@]1\2CC[C@H](C1(C)C)[C@H](/C2=N\NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])Br
InChI: InChI=1S/C17H20BrN3O3/c1-16(2)12-7-8-17(16,3)14(13(12)18)19-20-15(22)10-5-4-6-11(9-10)21(23)24/h4-6,9,12-13H,7-8H2,1-3H3,(H,20,22)/b19-14+/t12-,13+,17+/m0/s1
SMILES: C1[C@H]2CO[C@@H]3[C@H]2[C@H]([C@H]1O)[C@@H]([C@H](O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C24H28O5/c25-19-11-18-14-28-24-21(18)22(19)23(27-13-17-9-5-2-6-10-17)20(29-24)15-26-12-16-7-3-1-4-8-16/h1-10,18-25H,11-15H2/t18-,19-,20+,21+,22-,23+,24-/m0/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)NC3=C(C4=C(S3)CCC4)C(=O)N
InChI: InChI=1S/C19H24N4O4S/c1-10-5-2-3-8-19(10)17(26)23(18(27)22-19)9-13(24)21-16-14(15(20)25)11-6-4-7-12(11)28-16/h10H,2-9H2,1H3,(H2,20,25)(H,21,24)(H,22,27)/t10-,19-/m1/s1
SMILES: COC1=CC2=C(C=C1)C(=O)N([C@@H]3[C@@H]2CCCC3)CC4=CC=CC=C4
InChI: InChI=1S/C21H23NO2/c1-24-16-11-12-18-19(13-16)17-9-5-6-10-20(17)22(21(18)23)14-15-7-3-2-4-8-15/h2-4,7-8,11-13,17,20H,5-6,9-10,14H2,1H3/t17-,20+/m1/s1
SMILES: C[C@]12CC[C@](C[C@H]1CCC3C2CC[C@]4(C3CCC4C(=O)CN5C=CN=C5)C)(C(F)(F)F)O
InChI: InChI=1S/C25H35F3N2O2/c1-22-9-10-24(32,25(26,27)28)13-16(22)3-4-17-18-5-6-20(23(18,2)8-7-19(17)22)21(31)14-30-12-11-29-15-30/h11-12,15-20,32H,3-10,13-14H2,1-2H3/t16-,17?,18?,19?,20?,22+,23+,24+/m1/s1
SMILES: CC(=O)[C@@H]1CC[C@@H]2[C@@]1(CC(=O)[C@@H]3[C@H]2CCC4=CC(=O)CC[C@@]34C)C
InChI: InChI=1S/C21H28O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-17,19H,4-9,11H2,1-3H3/t15-,16-,17-,19-,20+,21+/m0/s1
SMILES: C[C@]12[C@@H]3CCC([C@H]1[C@H](CC4=C2C(=C(C=C4)OC)O3)C#N)O
InChI: InChI=1S/C17H19NO3/c1-17-13-6-4-11(19)14(17)10(8-18)7-9-3-5-12(20-2)16(21-13)15(9)17/h3,5,10-11,13-14,19H,4,6-7H2,1-2H3/t10-,11?,13+,14-,17+/m1/s1
SMILES: C[C@]12CCC(=O)C(=C1CC[C@@H]2[C@@H](CC[C@H]3C(OC(O3)(C)C)(C)C)C(=O)SC(C)(C)C)SC4=CC=CC=C4
InChI: InChI=1S/C31H44O4S2/c1-28(2,3)37-27(33)21(14-17-25-29(4,5)35-30(6,7)34-25)22-15-16-23-26(24(32)18-19-31(22,23)8)36-20-12-10-9-11-13-20/h9-13,21-22,25H,14-19H2,1-8H3/t21-,22-,25+,31-/m1/s1
SMILES: CCOC(=O)C1=CC2=C3C(=C1)[C@@H]4C=CC[C@@H]4[C@@H](N3C[C@@H]5[C@H]2C=CC5)C6=CC(=CC=C6)[N+](=O)[O-]
InChI: InChI=1S/C27H26N2O4/c1-2-33-27(30)18-13-23-20-9-4-7-17(20)15-28-25(16-6-3-8-19(12-16)29(31)32)22-11-5-10-21(22)24(14-18)26(23)28/h3-6,8-10,12-14,17,20-22,25H,2,7,11,15H2,1H3/t17-,20-,21-,22+,25+/m1/s1
SMILES: COC(=O)CCC1=CC=CC=C1C[C@@H]2[C@H]3CC[C@@H]([C@@H]2C4=NC(=NO4)C(=O)NCCCCC5CCCCC5)O3
InChI: InChI=1S/C30H41N3O5/c1-36-26(34)17-14-21-12-5-6-13-22(21)19-23-24-15-16-25(37-24)27(23)30-32-28(33-38-30)29(35)31-18-8-7-11-20-9-3-2-4-10-20/h5-6,12-13,20,23-25,27H,2-4,7-11,14-19H2,1H3,(H,31,35)/t23-,24-,25+,27-/m1/s1
SMILES: CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C(=O)C=C2C1)CCC45OCCO5)C)C
InChI: InChI=1S/C23H32O5/c1-14(24)28-16-4-7-21(2)15(12-16)13-19(25)20-17(21)5-8-22(3)18(20)6-9-23(22)26-10-11-27-23/h13,16-18,20H,4-12H2,1-3H3/t16-,17-,18-,20+,21-,22-/m0/s1
SMILES: COCCOC(=O)N1C2=C(C=C(C=C2)C#CCC(C(=O)OC)C(=O)OC)[C@]3(C1=O)[C@@H]([C@H]4C(=O)O[C@@H]([C@@H](N4[C@@H]3C5=CC=C(C=C5)OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N8CCN(CC8)CC9=CC1=C(C=C9)OCO1
InChI: InChI=1S/C59H58N4O15/c1-71-31-32-75-58(70)62-45-23-17-37(11-10-16-43(54(66)72-2)55(67)73-3)33-44(45)59(57(62)69)48(53(65)61-27-25-60(26-28-61)35-38-18-24-46-47(34-38)77-36-76-46)50-56(68)78-51(40-14-8-5-9-15-40)49(39-12-6-4-7-13-39)63(50)52(59)41-19-21-42(22-20-41)74-30-29-64/h4-9,12-15,17-24,33-34,43,48-52,64H,16,25-32,35-36H2,1-3H3/t48-,49-,50-,51+,52+,59-/m0/s1
SMILES: C[C@]12CC=C3[C@]([C@@]1(C[C@H]([C@@H]4[C@@]2(C[C@@H]([C@@H]([C@@]4(C)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)O)C)O)C)(C[C@H]([C@@]6([C@]3(CC(CC6)(C)C)C)C(=O)O)O)C
InChI: InChI=1S/C38H60O13/c1-31(2)11-12-38(30(48)49)21(42)15-33(4)20(35(38,6)16-31)9-10-36(7)34(5)13-19(41)27(32(3,17-39)26(34)18(40)14-37(33,36)8)51-29-24(45)22(43)23(44)25(50-29)28(46)47/h9,18-19,21-27,29,39-45H,10-17H2,1-8H3,(H,46,47)(H,48,49)/t18-,19+,21-,22+,23+,24-,25+,26+,27+,29+,32+,33-,34+,35+,36-,37+,38-/m1/s1
SMILES: C[C@H](CC[C@@H](C(C)(C)O)O)[C@H]1[C@H](C[C@@]2([C@@]1(CC[C@]34[C@H]2C[C@@H]([C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)OC(=O)C)OC(=O)C)C)C)OC(=O)C
InChI: InChI=1S/C36H58O8/c1-20(11-12-27(40)32(7,8)41)29-25(43-22(3)38)18-34(10)26-17-24(42-21(2)37)30-31(5,6)28(44-23(4)39)13-14-36(30)19-35(26,36)16-15-33(29,34)9/h20,24-30,40-41H,11-19H2,1-10H3/t20-,24+,25+,26+,27+,28+,29+,30+,33-,34+,35+,36-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#CC4=CC=CC(=C4)C#CC5=CC=CC=C5C#CC6=CC=CC=C6)O)CCC7=C3C=CC(=C7)O
InChI: InChI=1S/C42H36O2/c1-41-25-23-38-37-21-19-36(43)29-35(37)18-20-39(38)40(41)24-27-42(41,44)26-22-32-11-7-10-31(28-32)15-17-34-13-6-5-12-33(34)16-14-30-8-3-2-4-9-30/h2-13,19,21,28-29,38-40,43-44H,18,20,23-25,27H2,1H3/t38-,39-,40+,41+,42+/m1/s1
SMILES: CCC1=C(C2=CC3=C(C(=C(N3)C=C4[C@H]([C@@H](C(=N4)C(=C5C(=C(C(=N5)C=C1N2)C)C(=O)O)CC(=O)N[C@@H](CCC(=O)O)C(=O)O)CCC(=O)O)C)C)C=C)C
InChI: InChI=1S/C39H43N5O9/c1-7-21-17(3)26-14-28-19(5)23(9-11-33(46)47)36(43-28)24(13-32(45)42-25(38(50)51)10-12-34(48)49)37-35(39(52)53)20(6)29(44-37)16-31-22(8-2)18(4)27(41-31)15-30(21)40-26/h7,14-16,19,23,25,40-41H,1,8-13H2,2-6H3,(H,42,45)(H,46,47)(H,48,49)(H,50,51)(H,52,53)/t19-,23-,25-/m0/s1
SMILES: C[C@H](CCCC(C)C)[C@@H]1CC(=O)C2=C3CC[C@@H]4C[C@H](CC[C@]4([C@H]3CC[C@]12C)C)O
InChI: InChI=1S/C27H44O2/c1-17(2)7-6-8-18(3)23-16-24(29)25-21-10-9-19-15-20(28)11-13-26(19,4)22(21)12-14-27(23,25)5/h17-20,22-23,28H,6-16H2,1-5H3/t18-,19-,20+,22+,23+,26-,27-/m1/s1
SMILES: CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O)CN2C3=CC=CC=C3N(C2=O)C[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)O)O)OC)O)O
InChI: InChI=1S/C21H30N2O11/c1-31-17-13(24)11(33-19(28)15(17)26)7-22-9-5-3-4-6-10(9)23(21(22)30)8-12-14(25)18(32-2)16(27)20(29)34-12/h3-6,11-20,24-29H,7-8H2,1-2H3/t11-,12-,13-,14-,15-,16-,17+,18+,19+,20+/m1/s1
SMILES: C[C@H](C[C@@H](/C=C/[C@H]1[C@@H](OC(O1)(C)C)CCO)OCOC)OCC2=CC=C(C=C2)OC
InChI: InChI=1S/C23H36O7/c1-17(27-15-18-6-8-19(26-5)9-7-18)14-20(28-16-25-4)10-11-21-22(12-13-24)30-23(2,3)29-21/h6-11,17,20-22,24H,12-16H2,1-5H3/b11-10+/t17-,20-,21+,22+/m1/s1
SMILES: C/C(=N/NC(=O)C1=CC(=CC=C1)F)/C2=CC=C(C=C2)N3C(=O)[C@H]4CCCC[C@@H]4C3=O
InChI: InChI=1S/C23H22FN3O3/c1-14(25-26-21(28)16-5-4-6-17(24)13-16)15-9-11-18(12-10-15)27-22(29)19-7-2-3-8-20(19)23(27)30/h4-6,9-13,19-20H,2-3,7-8H2,1H3,(H,26,28)/b25-14-/t19-,20-/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)SC2=NC(=NC3=CC=CC=C32)C(F)(F)F
InChI: InChI=1S/C19H22F3N3OS/c1-11-7-3-5-9-14(11)23-16(26)12(2)27-17-13-8-4-6-10-15(13)24-18(25-17)19(20,21)22/h4,6,8,10-12,14H,3,5,7,9H2,1-2H3,(H,23,26)/t11-,12-,14-/m1/s1
SMILES: C1CC(=O)N(C1)CCCNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)NC(=O)C5=CC(=CC(=C5)Cl)Cl
InChI: InChI=1S/C24H27Cl2N7O5/c25-14-7-13(8-15(26)9-14)23(37)31-18-20(36)16(10-34)38-24(18)33-12-30-19-21(28-11-29-22(19)33)27-4-2-6-32-5-1-3-17(32)35/h7-9,11-12,16,18,20,24,34,36H,1-6,10H2,(H,31,37)(H,27,28,29)/t16-,18-,20-,24-/m1/s1
SMILES: C[C@@]1([C@@](N(C(=O)O1)CC2=CC=CC=N2)(C)O)CCC3=CC=CC=C3
InChI: InChI=1S/C19H22N2O3/c1-18(12-11-15-8-4-3-5-9-15)19(2,23)21(17(22)24-18)14-16-10-6-7-13-20-16/h3-10,13,23H,11-12,14H2,1-2H3/t18-,19+/m0/s1
SMILES: C1C=C2[C@@H](C[C@H]3C(=O)N(C(=O)[C@]3([C@H]2C4=CC=C(O4)CO)C5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)F)[C@@H]7[C@H]1C(=O)N(C7=O)C8=CC=C(C=C8)C9=NC1=CC=CC=C1O9
InChI: InChI=1S/C44H32ClFN4O7/c45-25-9-7-24(8-10-25)44-33(41(53)50(43(44)55)48-27-13-11-26(46)12-14-27)21-32-30(38(44)36-20-17-29(22-51)56-36)18-19-31-37(32)42(54)49(40(31)52)28-15-5-23(6-16-28)39-47-34-3-1-2-4-35(34)57-39/h1-18,20,31-33,37-38,48,51H,19,21-22H2/t31-,32+,33-,37-,38+,44+/m0/s1
SMILES: CC1(O[C@@H]2[C@H](O1)[C@H](O[C@@H]2[C@H](COCC3=CC=CC=C3)P(=O)(OC)OC)OC)C
InChI: InChI=1S/C19H29O8P/c1-19(2)26-16-15(25-18(21-3)17(16)27-19)14(28(20,22-4)23-5)12-24-11-13-9-7-6-8-10-13/h6-10,14-18H,11-12H2,1-5H3/t14-,15+,16-,17-,18-/m0/s1
SMILES: B1(O[C@H]([C@H]([C@](O1)(CC)CC2=CC=CC=C2)C)C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C25H27BO2/c1-3-25(19-21-13-7-4-8-14-21)20(2)24(22-15-9-5-10-16-22)27-26(28-25)23-17-11-6-12-18-23/h4-18,20,24H,3,19H2,1-2H3/t20-,24-,25+/m1/s1
SMILES: CC12C[C@H](C[C@@]3(C1[C@@H]([C@]45C3CC[C@](C4)(C(=C)[C@H]5O[Si](C)(C)C)O[Si](C)(C)C)C(=O)OC)OC2=O)O[Si](C)(C)C
InChI: InChI=1S/C29H50O7Si3/c1-18-23(35-38(7,8)9)28-17-27(18,36-39(10,11)12)14-13-20(28)29-16-19(34-37(4,5)6)15-26(2,25(31)33-29)22(29)21(28)24(30)32-3/h19-23H,1,13-17H2,2-12H3/t19-,20?,21-,22?,23-,26?,27+,28-,29-/m1/s1
SMILES: COC(=O)[C@H]1[C@H]2CC[C@H](C2)C[C@H]1C3=CC4=CC=CC=C4C=C3
InChI: InChI=1S/C20H22O2/c1-22-20(21)19-17-7-6-13(10-17)11-18(19)16-9-8-14-4-2-3-5-15(14)12-16/h2-5,8-9,12-13,17-19H,6-7,10-11H2,1H3/t13-,17+,18+,19+/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@]23[C@@H](C[C@H]4[C@@H]5[C@H](CC=C4[C@@H]2C6=C(C=C(C=C6)O)OC)C(=O)N(C5=O)C7=CC=C(C=C7)[N+](=O)[O-])C(=O)N(C3=O)NC8=C(C=C(C=C8)Cl)Cl
InChI: InChI=1S/C40H32Cl2N4O9/c1-54-25-11-3-20(4-12-25)40-30(37(49)45(39(40)51)43-32-16-5-21(41)17-31(32)42)19-29-26(35(40)27-13-10-24(47)18-33(27)55-2)14-15-28-34(29)38(50)44(36(28)48)22-6-8-23(9-7-22)46(52)53/h3-14,16-18,28-30,34-35,43,47H,15,19H2,1-2H3/t28-,29+,30-,34-,35+,40+/m0/s1
SMILES: C[C@H](C[C@H]1[C@@H](CC[C@](O1)(C(=O)OC)OC)NC(=O)C)OC(=O)SC
InChI: InChI=1S/C15H25NO7S/c1-9(22-14(19)24-5)8-12-11(16-10(2)17)6-7-15(21-4,23-12)13(18)20-3/h9,11-12H,6-8H2,1-5H3,(H,16,17)/t9-,11-,12+,15+/m1/s1
SMILES: C[C@@H]1[C@H](O[C@H]([C@H]([C@@H]1O[Si](C)(C)C(C)(C)C)C)OC)C[C@H](COCC2=CC=CC=C2)O
InChI: InChI=1S/C24H42O5Si/c1-17-21(14-20(25)16-27-15-19-12-10-9-11-13-19)28-23(26-6)18(2)22(17)29-30(7,8)24(3,4)5/h9-13,17-18,20-23,25H,14-16H2,1-8H3/t17-,18+,20-,21-,22-,23-/m1/s1
SMILES: CC1=CC=C(C=C1)[C@@H]2[C@@H]3[C@@H](C(=O)N(C3=O)C4=CC(=CC=C4)Br)N5N2CCC5
InChI: InChI=1S/C21H20BrN3O2/c1-13-6-8-14(9-7-13)18-17-19(24-11-3-10-23(18)24)21(27)25(20(17)26)16-5-2-4-15(22)12-16/h2,4-9,12,17-19H,3,10-11H2,1H3/t17-,18-,19+/m1/s1
SMILES: C[C@@]12CC[C@H]([C@@]([C@H]1CC3=C([C@H]2CC(=O)NCCOC)N=C(S3)NC4=CC=CC=C4)(C)CO)O
InChI: InChI=1S/C25H35N3O4S/c1-24-10-9-20(30)25(2,15-29)19(24)14-18-22(17(24)13-21(31)26-11-12-32-3)28-23(33-18)27-16-7-5-4-6-8-16/h4-8,17,19-20,29-30H,9-15H2,1-3H3,(H,26,31)(H,27,28)/t17-,19+,20-,24+,25+/m1/s1
SMILES: CC1(O[C@H]([C@H](O1)CO[Si](C)(C)C(C)(C)C)CNCC(COCC2=CC=CC=C2)O)C
InChI: InChI=1S/C23H41NO5Si/c1-22(2,3)30(6,7)27-17-21-20(28-23(4,5)29-21)14-24-13-19(25)16-26-15-18-11-9-8-10-12-18/h8-12,19-21,24-25H,13-17H2,1-7H3/t19?,20-,21+/m0/s1
SMILES: C[C@]12CC[C@H](C([C@@H]1CCC3=CC(=C(C=C23)OC)CO)(C)CO)O
InChI: InChI=1S/C19H28O4/c1-18-7-6-17(22)19(2,11-21)16(18)5-4-12-8-13(10-20)15(23-3)9-14(12)18/h8-9,16-17,20-22H,4-7,10-11H2,1-3H3/t16-,17-,18-,19?/m1/s1
SMILES: CC(C)C[C@@H](C(=O)OC)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]2C[C@H]2[C@@H](CN)O
InChI: InChI=1S/C22H33N3O5/c1-13(2)9-18(22(29)30-3)25-21(28)17(10-14-7-5-4-6-8-14)24-20(27)16-11-15(16)19(26)12-23/h4-8,13,15-19,26H,9-12,23H2,1-3H3,(H,24,27)(H,25,28)/t15-,16-,17+,18+,19-/m1/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=CC7=C(C=C6)C(=O)N(C7=O)CCN(C)C)C)C)O)O)O
InChI: InChI=1S/C37H52N2O8/c1-20-29(40)30(41)31(42)34(46-20)47-23-10-13-35(2)22(19-23)7-9-28-27(35)11-14-36(3)26(12-15-37(28,36)45)21-6-8-24-25(18-21)33(44)39(32(24)43)17-16-38(4)5/h6,8,18-20,23,26-31,34,40-42,45H,7,9-17H2,1-5H3/t20-,23-,26+,27-,28+,29-,30+,31+,34-,35-,36+,37-/m0/s1
SMILES: C1[C@H]2CN([C@H](C(=O)N2[C@@H]([C@H]1CCC(=O)O)C(=O)O)CC(=O)O)C(=O)CCCCCN
InChI: InChI=1S/C19H29N3O8/c20-7-3-1-2-4-14(23)21-10-12-8-11(5-6-15(24)25)17(19(29)30)22(12)18(28)13(21)9-16(26)27/h11-13,17H,1-10,20H2,(H,24,25)(H,26,27)(H,29,30)/t11-,12-,13-,17-/m0/s1
SMILES: CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C35H38O6/c1-36-35-34(40-25-30-20-12-5-13-21-30)33(39-24-29-18-10-4-11-19-29)32(38-23-28-16-8-3-9-17-28)31(41-35)26-37-22-27-14-6-2-7-15-27/h2-21,31-35H,22-26H2,1H3/t31-,32-,33+,34-,35-/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@H]2C(=O)N(C3=O)CNC4=CC(=CC=C4)Cl
InChI: InChI=1S/C16H15ClN2O2/c17-11-2-1-3-12(7-11)18-8-19-15(20)13-9-4-5-10(6-9)14(13)16(19)21/h1-5,7,9-10,13-14,18H,6,8H2/t9-,10+,13-,14-/m0/s1
SMILES: C[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2C[C@H]3CCC4C([C@]3([C@@H](C2)O)C)CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)OC)O
InChI: InChI=1S/C30H46O9/c1-15-24(33)26(36-4)25(34)27(38-15)39-18-12-17-5-6-21-20(29(17,3)22(31)13-18)7-9-28(2)19(8-10-30(21,28)35)16-11-23(32)37-14-16/h11,15,17-22,24-27,31,33-35H,5-10,12-14H2,1-4H3/t15-,17+,18+,19+,20?,21?,22+,24+,25+,26+,27-,28+,29-,30-/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(=C4)CNC(=O)OCC=C)CSC5=NC=NN5
InChI: InChI=1S/C32H34N4O5S/c1-3-15-39-32(38)33-17-23-5-4-6-27(16-23)24-11-13-26(14-12-24)30-40-28(19-42-31-34-20-35-36-31)21(2)29(41-30)25-9-7-22(18-37)8-10-25/h3-14,16,20-21,28-30,37H,1,15,17-19H2,2H3,(H,33,38)(H,34,35,36)/t21-,28+,29+,30+/m1/s1
SMILES: C[C@]12CC[C@@H]3[C@]4(CCC(C[C@]45C=C[C@@]3([C@@H]1CC[C@]2(CN(CC6=CC=C(C=C6)OC(F)(F)F)C(=O)NC7=CC=CC=C7)O)C(=C5)C(=O)C8=CC9=CC=CC=C9S8)O)C
InChI: InChI=1S/C46H47F3N2O5S/c1-41-19-16-32(52)25-43(41)22-23-45(34(26-43)39(53)36-24-30-8-6-7-11-35(30)57-36)37(41)17-20-42(2)38(45)18-21-44(42,55)28-51(40(54)50-31-9-4-3-5-10-31)27-29-12-14-33(15-13-29)56-46(47,48)49/h3-15,22-24,26,32,37-38,52,55H,16-21,25,27-28H2,1-2H3,(H,50,54)/t32?,37-,38-,41-,42+,43+,44-,45-/m1/s1
SMILES: CC(C)(C1=CN(N=N1)C[C@H]2C[C@@H]3CCN2C[C@@H]3C(=O)NC4=NC=CS4)O
InChI: InChI=1S/C17H24N6O2S/c1-17(2,25)14-10-23(21-20-14)8-12-7-11-3-5-22(12)9-13(11)15(24)19-16-18-4-6-26-16/h4,6,10-13,25H,3,5,7-9H2,1-2H3,(H,18,19,24)/t11-,12+,13-/m0/s1
SMILES: COC1=CC=C(C=C1)CC2=CC(=CC=C2)[C@@]3(C[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO)O
InChI: InChI=1S/C21H26O6/c1-27-17-7-5-13(6-8-17)9-14-3-2-4-16(10-14)21(26)11-15(12-22)18(23)19(24)20(21)25/h2-8,10,15,18-20,22-26H,9,11-12H2,1H3/t15-,18-,19+,20-,21-/m1/s1
SMILES: CSC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)C(=O)N[C@@H]4CNC[C@@H]4C(=O)NO
InChI: InChI=1S/C21H23N5O3S/c1-30-21-24-16-4-2-3-5-18(16)26(21)12-13-6-8-14(9-7-13)19(27)23-17-11-22-10-15(17)20(28)25-29/h2-9,15,17,22,29H,10-12H2,1H3,(H,23,27)(H,25,28)/t15-,17+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)C2=CC=C(C=C2)N3C=NN=N3
InChI: InChI=1S/C18H23N5O3/c1-12-5-3-4-6-16(12)20-17(24)13(2)26-18(25)14-7-9-15(10-8-14)23-11-19-21-22-23/h7-13,16H,3-6H2,1-2H3,(H,20,24)/t12-,13-,16-/m1/s1
SMILES: CC(C)(C)OC(=O)NC1=NC(=CS1)/C(=N/OC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/C(=O)N[C@H]5[C@@H]6N(C5=O)C(=C(CS6=O)SCSC7=NN=CN7C)C(=O)OC(C8=CC=CC=C8)C9=CC=CC=C9
InChI: InChI=1S/C53H48N8O8S4/c1-52(2,3)68-51(65)57-49-55-39(30-70-49)41(59-69-53(36-24-14-7-15-25-36,37-26-16-8-17-27-37)38-28-18-9-19-29-38)45(62)56-42-46(63)61-43(40(31-73(66)47(42)61)71-33-72-50-58-54-32-60(50)4)48(64)67-44(34-20-10-5-11-21-34)35-22-12-6-13-23-35/h5-30,32,42,44,47H,31,33H2,1-4H3,(H,56,62)(H,55,57,65)/b59-41-/t42-,47-,73?/m1/s1
SMILES: C[C@H]1[C@H](OC(O[C@H]1C2=CC=C(C=C2)CO)C3=CC=C(C=C3)CC(=O)NC4=CC=CC(=C4)C(=O)C)CN5CC[C@H](C5)O
InChI: InChI=1S/C33H38N2O6/c1-21-30(19-35-15-14-29(38)18-35)40-33(41-32(21)25-10-8-24(20-36)9-11-25)26-12-6-23(7-13-26)16-31(39)34-28-5-3-4-27(17-28)22(2)37/h3-13,17,21,29-30,32-33,36,38H,14-16,18-20H2,1-2H3,(H,34,39)/t21-,29+,30+,32+,33?/m0/s1
SMILES: CC1=CC(=CC=C1)C(=CC(=O)[C@@H]([C@H](C(=O)N2[C@@H](C(OC2=O)(C)C)C(C)C)OC)OC(=O)C)C(=O)CCCO[C@H]3[C@H]([C@@H]([C@H](O[C@@H]3OC)CO)OCC4=CC=CC=C4)OCC5=CC=CC=C5
InChI: InChI=1S/C49H61NO14/c1-30(2)45-49(5,6)64-48(56)50(45)46(55)43(57-7)40(62-32(4)52)38(54)26-36(35-22-15-17-31(3)25-35)37(53)23-16-24-59-44-42(61-29-34-20-13-10-14-21-34)41(39(27-51)63-47(44)58-8)60-28-33-18-11-9-12-19-33/h9-15,17-22,25-26,30,39-45,47,51H,16,23-24,27-29H2,1-8H3/t39-,40+,41-,42+,43-,44+,45-,47+/m1/s1