EdisonScientific/glyph-datasets huggingface dataset:
SMILES: CCCCCCCC1(OCCO1)CC[C@H]2[C@@H](C[C@@H]([C@@H]2C/C=C/CCCC(=O)OC(C)C)O)O
InChI: InChI=1S/C27H48O6/c1-4-5-6-9-12-16-27(31-18-19-32-27)17-15-23-22(24(28)20-25(23)29)13-10-7-8-11-14-26(30)33-21(2)3/h7,10,21-25,28-29H,4-6,8-9,11-20H2,1-3H3/b10-7+/t22-,23-,24+,25-/m1/s1
SMILES: CCN1C(=O)[C@H]2CC=C3[C@H]([C@H]2C1=O)CC4=C([C@H]3C5=C(C6=CC=CC=C6C=C5)O)C(=O)C=C(C4=O)Br
InChI: InChI=1S/C28H22BrNO5/c1-2-30-27(34)17-10-9-15-18(23(17)28(30)35)11-19-24(21(31)12-20(29)26(19)33)22(15)16-8-7-13-5-3-4-6-14(13)25(16)32/h3-9,12,17-18,22-23,32H,2,10-11H2,1H3/t17-,18+,22+,23-/m0/s1
SMILES: C[C@H]1CCC[C@H]([C@H]1C)NC(=O)[C@@H](C)SC2=NN=C(O2)C3=CC(=C(C=C3)C)C
InChI: InChI=1S/C21H29N3O2S/c1-12-9-10-17(11-14(12)3)20-23-24-21(26-20)27-16(5)19(25)22-18-8-6-7-13(2)15(18)4/h9-11,13,15-16,18H,6-8H2,1-5H3,(H,22,25)/t13-,15-,16+,18+/m0/s1
SMILES: C[C@@H]1[C@@H]2[C@@H](C[C@@H]3CCCC[C@H]3[C@@H]2/C=C/C4=NC=C(C=C4)C5=CC=CC=C5F)C(=O)O1
InChI: InChI=1S/C26H28FNO2/c1-16-25-22(20-7-3-2-6-17(20)14-23(25)26(29)30-16)13-12-19-11-10-18(15-28-19)21-8-4-5-9-24(21)27/h4-5,8-13,15-17,20,22-23,25H,2-3,6-7,14H2,1H3/b13-12+/t16-,17+,20-,22+,23-,25+/m1/s1
SMILES: C[C@H](CCC(=C)C(C)C)[C@H]1C[C@H]([C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4=C)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C(=O)O)O
InChI: InChI=1S/C36H56O9/c1-18(2)19(3)8-9-20(4)25-16-28(38)36(33(42)43)24-11-10-22-21(5)26(13-14-34(22,6)23(24)12-15-35(25,36)7)44-32-31(41)30(40)29(39)27(17-37)45-32/h18,20,22,25-32,37-41H,3,5,8-17H2,1-2,4,6-7H3,(H,42,43)/t20-,22+,25-,26+,27-,28-,29-,30+,31-,32+,34+,35-,36-/m1/s1
SMILES: CC[C@@H]1[C@@](C2[C@H](C(=NC(=O)C)[C@@H](C[C@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(OC/C(=C/C=C/C4=CN=CC=C4)/CO2)C)C)C)(C)O
InChI: InChI=1S/C42H63N3O10/c1-12-33-42(9,50)38-26(4)34(44-29(7)46)24(2)20-41(8,52-23-31(22-51-38)16-13-15-30-17-14-18-43-21-30)37(27(5)35(47)28(6)39(49)54-33)55-40-36(48)32(45(10)11)19-25(3)53-40/h13-18,21,24-28,32-33,36-38,40,48,50H,12,19-20,22-23H2,1-11H3/b15-13+,31-16+,44-34?/t24-,25-,26+,27+,28-,32+,33-,36-,37-,38?,40+,41-,42-/m1/s1
SMILES: CCCCCCCCCCCCO[C@@H]1[C@@H]2[C@H]([C@H](O1)/C(=N/OC(=O)NC3=C(C=CC(=C3)Cl)Cl)/C)OC(O2)(C)C
InChI: InChI=1S/C28H42Cl2N2O6/c1-5-6-7-8-9-10-11-12-13-14-17-34-26-25-24(36-28(3,4)37-25)23(35-26)19(2)32-38-27(33)31-22-18-20(29)15-16-21(22)30/h15-16,18,23-26H,5-14,17H2,1-4H3,(H,31,33)/b32-19+/t23-,24+,25+,26+/m1/s1
SMILES: CC(=CCC/C(=C/C[C@H](/C(=C/CC[C@]1([C@@H](/C(=C(/C)\CO)/CC[C@]1(C)O)CCCO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)/C)OC(=O)C2=CC=C(C=C2)Br)/C)C
InChI: InChI=1S/C49H83BrO6Si2/c1-36(2)20-17-21-37(3)24-29-44(56-45(52)40-25-27-41(50)28-26-40)38(4)22-18-31-49(35-55-58(15,16)47(9,10)11)43(23-19-33-54-57(13,14)46(6,7)8)42(39(5)34-51)30-32-48(49,12)53/h20,22,24-28,43-44,51,53H,17-19,21,23,29-35H2,1-16H3/b37-24+,38-22+,42-39-/t43-,44-,48+,49-/m1/s1
SMILES: C[C@H](C1C[C@]2([C@](O2)([C@@H](O1)O)C)C)C3=CC4=C(C=C3)[C@@H]5C[C@H]6[C@@]7(O6)CCCC(=O)[C@@]7([C@H]5CC4)C
InChI: InChI=1S/C28H36O5/c1-15(21-14-25(2)27(4,33-25)24(30)31-21)16-7-9-18-17(12-16)8-10-20-19(18)13-23-28(32-23)11-5-6-22(29)26(20,28)3/h7,9,12,15,19-21,23-24,30H,5-6,8,10-11,13-14H2,1-4H3/t15-,19-,20-,21?,23-,24+,25-,26-,27+,28-/m0/s1
SMILES: C[C@@H]1CCCC[C@@]12C(=O)N(C(=O)N2)CC(=O)N3CCN(CC3)C4=CC=C(C=C4)F
InChI: InChI=1S/C21H27FN4O3/c1-15-4-2-3-9-21(15)19(28)26(20(29)23-21)14-18(27)25-12-10-24(11-13-25)17-7-5-16(22)6-8-17/h5-8,15H,2-4,9-14H2,1H3,(H,23,29)/t15-,21+/m1/s1
SMILES: CC1([C@H]([C@H]1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CN4CCOCC4)C
InChI: InChI=1S/C23H29NO2/c1-22(2)20(17-24-13-15-26-16-14-24)21(22)23(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20-21,25H,13-17H2,1-2H3/t20-,21+/m0/s1
SMILES: C[C@@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)OCC(=O)NCCCC(=O)OC
InChI: InChI=1S/C18H27N3O7/c1-12-6-3-4-8-18(12)16(25)21(17(26)20-18)10-15(24)28-11-13(22)19-9-5-7-14(23)27-2/h12H,3-11H2,1-2H3,(H,19,22)(H,20,26)/t12-,18-/m1/s1
SMILES: CCN1C[C@@]2(CC[C@@H](C34[C@@H]2CC(C31)([C@]5(C[C@@H]([C@@H]6C[C@H]4[C@@]5([C@H]6OC)O)OC)O)O)OC)OC(=O)C7=CC=CC=C7NC(=O)C
InChI: InChI=1S/C32H44N2O9/c1-6-34-16-28(43-26(36)18-9-7-8-10-20(18)33-17(2)35)12-11-24(41-4)31-22-13-19-21(40-3)14-30(38,32(22,39)25(19)42-5)29(37,27(31)34)15-23(28)31/h7-10,19,21-25,27,37-39H,6,11-16H2,1-5H3,(H,33,35)/t19-,21-,22+,23+,24-,25-,27?,28+,29?,30-,31?,32-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC(=O)N2)CCC4=C3C=CC(=C4)OC(=O)/C=C/C5=CC(=CC=C5)N(CCCl)CCCl
InChI: InChI=1S/C31H36Cl2N2O3/c1-31-14-13-26-25-9-7-24(20-22(25)6-8-27(26)28(31)10-11-29(36)34-31)38-30(37)12-5-21-3-2-4-23(19-21)35(17-15-32)18-16-33/h2-5,7,9,12,19-20,26-28H,6,8,10-11,13-18H2,1H3,(H,34,36)/b12-5+/t26-,27-,28+,31+/m1/s1
SMILES: CCCCCCNC(=O)[C@H]1[C@H]2C=C[C@@H]([C@@H]1C(=O)[O-])O2
InChI: InChI=1S/C14H21NO4/c1-2-3-4-5-8-15-13(16)11-9-6-7-10(19-9)12(11)14(17)18/h6-7,9-12H,2-5,8H2,1H3,(H,15,16)(H,17,18)/p-1/t9-,10+,11+,12+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1OCC2=CC=CC=C2)COS(=O)(=O)O)OS(=O)(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)OC)OCC4=CC=CC=C4)OCC5=CC=CC=C5)O
InChI: InChI=1S/C36H43NO18S2/c1-22(38)37-27-30(29(55-57(44,45)46)26(21-51-56(41,42)43)52-35(27)50-20-25-16-10-5-11-17-25)53-36-28(39)31(48-18-23-12-6-3-7-13-23)32(33(54-36)34(40)47-2)49-19-24-14-8-4-9-15-24/h3-17,26-33,35-36,39H,18-21H2,1-2H3,(H,37,38)(H,41,42,43)(H,44,45,46)/t26-,27-,28-,29+,30-,31-,32+,33+,35-,36-/m1/s1
SMILES: CC(C)(C)OC(=O)CO/N=C(\C1=CSC(=N1)N)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CN4CCN(CC4)C5=C(C=C6C(=C5)N(C=C(C6=O)C(=O)O)C7CC7)F)C(=O)O
InChI: InChI=1S/C36H39FN8O10S2/c1-36(2,3)55-25(46)14-54-41-26(22-16-57-35(38)39-22)30(48)40-27-31(49)45-28(34(52)53)17(15-56-32(27)45)12-42-6-8-43(9-7-42)24-11-23-19(10-21(24)37)29(47)20(33(50)51)13-44(23)18-4-5-18/h10-11,13,16,18,27,32H,4-9,12,14-15H2,1-3H3,(H2,38,39)(H,40,48)(H,50,51)(H,52,53)/b41-26+/t27-,32-/m1/s1
SMILES: CCCCC(=O)NC1=CC2=C(C=C1)N3[C@@H]4C25CCN6[C@H]5C[C@@H]7[C@H]4[C@H](CC3=O)OCC=C7C6
InChI: InChI=1S/C26H31N3O3/c1-2-3-4-22(30)27-16-5-6-19-18(11-16)26-8-9-28-14-15-7-10-32-20-13-23(31)29(19)25(26)24(20)17(15)12-21(26)28/h5-7,11,17,20-21,24-25H,2-4,8-10,12-14H2,1H3,(H,27,30)/t17-,20-,21-,24-,25-,26?/m0/s1
SMILES: CC(C)COC(=O)C1=CC2=C(C=C1)N[C@@H]([C@H]3[C@@H]2C=CC3)C4=CC=CC=C4
InChI: InChI=1S/C23H25NO2/c1-15(2)14-26-23(25)17-11-12-21-20(13-17)18-9-6-10-19(18)22(24-21)16-7-4-3-5-8-16/h3-9,11-13,15,18-19,22,24H,10,14H2,1-2H3/t18-,19+,22+/m0/s1
SMILES: C1C[NH+]2C[C@@H]([C@H]1C[C@@H]2CN3C=C(N=N3)C4=CC=CC=C4)C(=O)NC5=NC=CS5
InChI: InChI=1S/C20H22N6OS/c27-19(22-20-21-7-9-28-20)17-12-25-8-6-15(17)10-16(25)11-26-13-18(23-24-26)14-4-2-1-3-5-14/h1-5,7,9,13,15-17H,6,8,10-12H2,(H,21,22,27)/p+1/t15-,16-,17+/m1/s1
SMILES: C1CCC2=NN([C@@]([C@H]2C1)(C(F)(F)F)O)C(=O)COC3=CC=CC=C3
InChI: InChI=1S/C16H17F3N2O3/c17-16(18,19)15(23)12-8-4-5-9-13(12)20-21(15)14(22)10-24-11-6-2-1-3-7-11/h1-3,6-7,12,23H,4-5,8-10H2/t12-,15+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)F
InChI: InChI=1S/C21H22FN3O2S/c1-13-4-2-3-5-17(13)24-18(26)10-25-12-23-20-19(21(25)27)16(11-28-20)14-6-8-15(22)9-7-14/h6-9,11-13,17H,2-5,10H2,1H3,(H,24,26)/t13-,17-/m0/s1
SMILES: C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CSC2=NN=C(C(=O)N2N)C
InChI: InChI=1S/C14H22N6O3S/c1-8-5-3-4-6-10(8)16-13(23)17-11(21)7-24-14-19-18-9(2)12(22)20(14)15/h8,10H,3-7,15H2,1-2H3,(H2,16,17,21,23)/t8-,10+/m1/s1
SMILES: CC(C)(C)OC(=O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OC[C@H]2C[C@@H](O[C@@H]2COC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NC(=O)OC(C)(C)C)N4C=CC(=NC4=O)N=CN(C)C
InChI: InChI=1S/C43H56N8O12/c1-42(2,3)62-40(57)48-35(52)30(21-27-15-11-9-12-16-27)45-38(55)59-24-29-23-34(51-20-19-33(47-37(51)54)44-26-50(7)8)61-32(29)25-60-39(56)46-31(22-28-17-13-10-14-18-28)36(53)49-41(58)63-43(4,5)6/h9-20,26,29-32,34H,21-25H2,1-8H3,(H,45,55)(H,46,56)(H,48,52,57)(H,49,53,58)/t29-,30+,31+,32-,34-/m1/s1
SMILES: CC(C)OC(=O)[C@]1(C[C@H]([C@@H]([C@H]([C@@H]1O)N=[N+]=[N-])O)O)O[Si](C)(C)C(C)(C)C
InChI: InChI=1S/C16H31N3O6Si/c1-9(2)24-14(23)16(25-26(6,7)15(3,4)5)8-10(20)12(21)11(13(16)22)18-19-17/h9-13,20-22H,8H2,1-7H3/t10-,11-,12+,13+,16-/m1/s1
SMILES: CCOC(=O)[C@@]1([C@H](O[C@]2(C[C@H]([C@@]1(O2)C(=O)OC)O)C)C(=O)OC)O
InChI: InChI=1S/C14H20O10/c1-5-22-10(17)13(19)8(9(16)20-3)23-12(2)6-7(15)14(13,24-12)11(18)21-4/h7-8,15,19H,5-6H2,1-4H3/t7-,8-,12-,13-,14-/m1/s1
SMILES: COC1=CC(=C(C=C1)CNC2=C3C(=NC=N2)N(C=N3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)O
InChI: InChI=1S/C18H21N5O6/c1-28-10-3-2-9(11(25)4-10)5-19-16-13-17(21-7-20-16)23(8-22-13)18-15(27)14(26)12(6-24)29-18/h2-4,7-8,12,14-15,18,24-27H,5-6H2,1H3,(H,19,20,21)/t12-,14-,15-,18-/m1/s1
SMILES: COC1=CC=C(C=C1)C(=O)O[C@@]2(C[C@@H]3C[C@H]2C=C3)C(=O)OC
InChI: InChI=1S/C17H18O5/c1-20-14-7-4-12(5-8-14)15(18)22-17(16(19)21-2)10-11-3-6-13(17)9-11/h3-8,11,13H,9-10H2,1-2H3/t11-,13+,17+/m0/s1
SMILES: CCCCCCCCCC[C@H]1[C@H](OC(O1)(C)C)CC[C@@H]([C@H](CC/C=C/COCOC)OS(=O)(=O)C)OS(=O)(=O)C
InChI: InChI=1S/C28H54O10S2/c1-7-8-9-10-11-12-13-15-18-24-25(36-28(2,3)35-24)20-21-27(38-40(6,31)32)26(37-39(5,29)30)19-16-14-17-22-34-23-33-4/h14,17,24-27H,7-13,15-16,18-23H2,1-6H3/b17-14+/t24-,25+,26-,27-/m0/s1
SMILES: COC1(CCOCC1)O[C@@H]2[C@@H]([C@H](O[C@H]2N3C=NC4=C3N=C(N=C4OCCC5=CC=C(C=C5)[N+](=O)[O-])NC(=O)OCCC6=CC=C(C=C6)[N+](=O)[O-])COC(=O)OC(CC#N)C7=CC=CC=C7)O
InChI: InChI=1S/C43H44N8O15/c1-59-43(18-23-60-24-19-43)66-36-35(52)33(25-63-42(54)65-32(15-20-44)29-5-3-2-4-6-29)64-39(36)49-26-45-34-37(49)46-40(47-38(34)61-21-16-27-7-11-30(12-8-27)50(55)56)48-41(53)62-22-17-28-9-13-31(14-10-28)51(57)58/h2-14,26,32-33,35-36,39,52H,15-19,21-25H2,1H3,(H,46,47,48,53)/t32?,33-,35-,36-,39-/m1/s1
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H]4C=CC5=CC=CC=C5N4[C@H]([C@H]3C2=O)C(=O)N
InChI: InChI=1S/C22H19N3O4/c1-29-14-9-7-13(8-10-14)24-21(27)17-16-11-6-12-4-2-3-5-15(12)25(16)19(20(23)26)18(17)22(24)28/h2-11,16-19H,1H3,(H2,23,26)/t16-,17-,18-,19+/m0/s1
SMILES: CC(=O)N[C@@H]1[C@@H]([C@H]([C@H](O[C@H]1O[C@H]2[C@H](O[C@@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)OC)COC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C27H39NO17/c1-11(29)28-20-23(40-15(5)33)21(39-14(4)32)18(9-37-12(2)30)43-26(20)45-22-19(10-38-13(3)31)44-27(36-8)25(42-17(7)35)24(22)41-16(6)34/h18-27H,9-10H2,1-8H3,(H,28,29)/t18-,19-,20-,21+,22+,23+,24+,25-,26+,27+/m1/s1
SMILES: CO[C@H]1C[C@]2([C@@H](C[C@@H]1OCC3=CC=CC=C3)NC[C@@H]2C4=CC5=C(C=C4)OCO5)SC6=CC=CC=C6
InChI: InChI=1S/C29H31NO4S/c1-31-27-16-29(35-22-10-6-3-7-11-22)23(21-12-13-24-25(14-21)34-19-33-24)17-30-28(29)15-26(27)32-18-20-8-4-2-5-9-20/h2-14,23,26-28,30H,15-19H2,1H3/t23-,26+,27+,28-,29+/m1/s1
SMILES: C[C@H](CCC(=O)O)[C@H]1CC(=O)C2=C3CCC4CC(CC[C@@]4([C@H]3CC[C@]12C)C)O
InChI: InChI=1S/C24H36O4/c1-14(4-7-21(27)28)19-13-20(26)22-17-6-5-15-12-16(25)8-10-23(15,2)18(17)9-11-24(19,22)3/h14-16,18-19,25H,4-13H2,1-3H3,(H,27,28)/t14-,15?,16?,18+,19-,23+,24-/m1/s1
SMILES: C1C=C2[C@@H](C[C@]3(C(=O)N(C(=O)[C@]3([C@H]2C4=CC=C(O4)CO)Cl)C5=C(C(=C(C(=C5F)F)F)F)F)Cl)[C@@H]6[C@H]1C(=O)N(C6=O)C7=CC=C(C=C7)Br
InChI: InChI=1S/C31H18BrCl2F5N2O6/c32-11-1-3-12(4-2-11)40-26(43)15-7-6-14-16(18(15)27(40)44)9-30(33)28(45)41(25-23(38)21(36)20(35)22(37)24(25)39)29(46)31(30,34)19(14)17-8-5-13(10-42)47-17/h1-6,8,15-16,18-19,42H,7,9-10H2/t15-,16+,18-,19+,30+,31-/m0/s1
SMILES: CC(=O)OC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H]4C=CC5=CC=CC=C5N4[C@@H]([C@@H]3C2=O)C(=O)OC(C6=CC=CC=C6)C7=CC=CC=C7
InChI: InChI=1S/C36H28N2O6/c1-22(39)43-27-19-17-26(18-20-27)37-34(40)30-29-21-16-23-10-8-9-15-28(23)38(29)32(31(30)35(37)41)36(42)44-33(24-11-4-2-5-12-24)25-13-6-3-7-14-25/h2-21,29-33H,1H3/t29-,30+,31-,32+/m1/s1
SMILES: CCC1=CC=C(C=C1)C[NH+](C)CC(=O)N[C@@H]2CCCC[C@@H]2C
InChI: InChI=1S/C19H30N2O/c1-4-16-9-11-17(12-10-16)13-21(3)14-19(22)20-18-8-6-5-7-15(18)2/h9-12,15,18H,4-8,13-14H2,1-3H3,(H,20,22)/p+1/t15-,18+/m0/s1
SMILES: CC1=CN(C2=C1C(=NC=N2)Cl)[C@H]3[C@]([C@@H]([C@H](O3)CO)O)(C)O
InChI: InChI=1S/C13H16ClN3O4/c1-6-3-17(11-8(6)10(14)15-5-16-11)12-13(2,20)9(19)7(4-18)21-12/h3,5,7,9,12,18-20H,4H2,1-2H3/t7-,9-,12-,13-/m1/s1
SMILES: CC(C)(C)NC(=O)[C@@H]1[C@H]([C@H](CN1C(=O)C2=CN=CC=C2)O)O
InChI: InChI=1S/C15H21N3O4/c1-15(2,3)17-13(21)11-12(20)10(19)8-18(11)14(22)9-5-4-6-16-7-9/h4-7,10-12,19-20H,8H2,1-3H3,(H,17,21)/t10-,11-,12-/m0/s1
SMILES: C[C@H](CCCNCC1=CC=CC=C1)[C@H]2CC[C@@H]3[C@@]2([C@H](C[C@H]4[C@H]3CC[C@H]5[C@@]4(CC[C@@H](C5)N)C)O)C
InChI: InChI=1S/C31H50N2O/c1-21(8-7-17-33-20-22-9-5-4-6-10-22)26-13-14-27-25-12-11-23-18-24(32)15-16-30(23,2)28(25)19-29(34)31(26,27)3/h4-6,9-10,21,23-29,33-34H,7-8,11-20,32H2,1-3H3/t21-,23-,24+,25+,26-,27+,28+,29+,30+,31-/m1/s1
SMILES: COC1=C(C(=CC(=C1)[C@H]2C3=CC[C@H]4[C@@H]([C@@H]3CC5=C2C(=O)C=C(C5=O)Br)C(=O)N(C4=O)C6=CC=C(C=C6)Cl)I)O
InChI: InChI=1S/C29H20BrClINO6/c1-39-22-9-12(8-20(32)27(22)36)23-15-6-7-16-24(17(15)10-18-25(23)21(34)11-19(30)26(18)35)29(38)33(28(16)37)14-4-2-13(31)3-5-14/h2-6,8-9,11,16-17,23-24,36H,7,10H2,1H3/t16-,17+,23-,24-/m0/s1
SMILES: CC[Si](CC)(CC)O[C@@H]1[C@@H]2[C@H]([C@H](O[C@H]1O[C@@H]3[C@H](O[C@@H]([C@H]([C@H]3O[Si](CC)(CC)CC)I)NS(=O)(=O)C4=CC=CC=C4)COCC5=CC=CC=C5)COCC6=CC=CC=C6)OC(=O)O2
InChI: InChI=1S/C45H64INO12SSi2/c1-7-61(8-2,9-3)58-40-37(46)43(47-60(49,50)34-26-20-15-21-27-34)53-35(30-51-28-32-22-16-13-17-23-32)38(40)55-44-42(59-62(10-4,11-5)12-6)41-39(56-45(48)57-41)36(54-44)31-52-29-33-24-18-14-19-25-33/h13-27,35-44,47H,7-12,28-31H2,1-6H3/t35-,36-,37+,38-,39+,40-,41+,42-,43+,44+/m1/s1
SMILES: CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O)OC(=O)CCCCCCCCCCCCCCCCC
InChI: InChI=1S/C45H90O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)61-35-37(63-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-62-71(59,60)67-42-40(48)43(64-68(50,51)52)45(66-70(56,57)58)44(41(42)49)65-69(53,54)55/h37,40-45,48-49H,3-36H2,1-2H3,(H,59,60)(H2,50,51,52)(H2,53,54,55)(H2,56,57,58)/t37-,40-,41-,42?,43-,44+,45?/m0/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CC(=O)NCCCSC3=CC=CC=C3
InChI: InChI=1S/C20H27N3O3S/c1-15-8-5-6-11-20(15)18(25)23(19(26)22-20)14-17(24)21-12-7-13-27-16-9-3-2-4-10-16/h2-4,9-10,15H,5-8,11-14H2,1H3,(H,21,24)(H,22,26)/t15-,20+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]2CC[C@@H]3N2C/C(=C\C4=CC5=CC=CC=C5C=C4)/[C@H]1C3
InChI: InChI=1S/C23H25NO2/c1-15(25)26-14-22-21-12-20-8-9-23(22)24(20)13-19(21)11-16-6-7-17-4-2-3-5-18(17)10-16/h2-7,10-11,20-23H,8-9,12-14H2,1H3/b19-11+/t20-,21+,22-,23+/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)[NH+](C)CC(=O)NC2=CC=C(C=C2)OC(F)(F)F
InChI: InChI=1S/C20H28F3N3O3/c1-13-6-4-5-7-17(13)25-19(28)14(2)26(3)12-18(27)24-15-8-10-16(11-9-15)29-20(21,22)23/h8-11,13-14,17H,4-7,12H2,1-3H3,(H,24,27)(H,25,28)/p+1/t13-,14-,17-/m1/s1
SMILES: C/C=C\C1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\O)/C3=CSC(=N3)N)SC1)C(=O)OCOC(=O)C(C)(C)C
InChI: InChI=1S/C21H25N5O7S2/c1-5-6-10-7-34-17-13(24-15(27)12(25-31)11-8-35-20(22)23-11)16(28)26(17)14(10)18(29)32-9-33-19(30)21(2,3)4/h5-6,8,13,17,31H,7,9H2,1-4H3,(H2,22,23)(H,24,27)/b6-5-,25-12-/t13-,17-/m1/s1
SMILES: C[C@@]12CCCC([C@@]13[C@@H]4[C@@H](O4)[C@@H]([C@@H](C2)O3)O)(OC)OC
InChI: InChI=1S/C14H22O5/c1-12-5-4-6-13(16-2,17-3)14(12)11-10(18-11)9(15)8(7-12)19-14/h8-11,15H,4-7H2,1-3H3/t8-,9-,10+,11+,12+,14-/m1/s1
SMILES: C[C@H](CCC(=O)[O-])[C@@H]1CC[C@@H]2[C@@]1(C(=O)C[C@@H]3[C@@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C
InChI: InChI=1S/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-20,25H,4-13H2,1-3H3,(H,27,28)/p-1/t14-,15+,16+,17-,18+,19+,20-,23+,24-/m1/s1
SMILES: C[C@]12CC3(CC[C@@H]1CC[C@@H]4[C@@H]2CCC=C4CCC5(OCC(CO5)(C)C)C)OCCO3
InChI: InChI=1S/C26H42O4/c1-23(2)17-29-25(4,30-18-23)12-10-19-6-5-7-22-21(19)9-8-20-11-13-26(16-24(20,22)3)27-14-15-28-26/h6,20-22H,5,7-18H2,1-4H3/t20-,21-,22-,24-/m0/s1
SMILES: C1CSC(SC1)[C@@H](C[N+](=O)[O-])[C@@H]2[C@@H]([C@H]([C@H](O2)O)O)OCC3=CC=CC=C3
InChI: InChI=1S/C17H23NO6S2/c19-13-15(23-10-11-5-2-1-3-6-11)14(24-16(13)20)12(9-18(21)22)17-25-7-4-8-26-17/h1-3,5-6,12-17,19-20H,4,7-10H2/t12-,13+,14+,15+,16-/m0/s1
SMILES: CCCCC(C)(C/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)OC)O)O[Si](CCC2=CC=C(C=C2)C[N+](C)(C)C)(C(C)C)C(C)C
InChI: InChI=1S/C40H70NO5Si/c1-11-12-26-40(6,27-17-19-36-35(37(42)29-38(36)43)18-15-13-14-16-20-39(44)45-10)46-47(31(2)3,32(4)5)28-25-33-21-23-34(24-22-33)30-41(7,8)9/h17,19,21-24,31-32,35-36,38,43H,11-16,18,20,25-30H2,1-10H3/q+1/b19-17+/t35-,36-,38-,40?/m1/s1
SMILES: C1[C@H]([C@@H](C(=O)N1)C(=O)N/N=C/C(=CC2=CC=CC=C2)Br)C3=CC=CC=C3
InChI: InChI=1S/C20H18BrN3O2/c21-16(11-14-7-3-1-4-8-14)12-23-24-20(26)18-17(13-22-19(18)25)15-9-5-2-6-10-15/h1-12,17-18H,13H2,(H,22,25)(H,24,26)/b16-11?,23-12+/t17-,18-/m0/s1
SMILES: CC1(O[C@@H]([C@H](O1)[C@H]([C@H](C(=O)O)OC)O)C=C)C
InChI: InChI=1S/C11H18O6/c1-5-6-8(17-11(2,3)16-6)7(12)9(15-4)10(13)14/h5-9,12H,1H2,2-4H3,(H,13,14)/t6-,7-,8+,9-/m1/s1
SMILES: C1[C@H]([C@H](C(=O)N1)C(=O)N/N=C\C2=CC=CC=C2Cl)C3=CC=CC=C3
InChI: InChI=1S/C18H16ClN3O2/c19-15-9-5-4-8-13(15)10-21-22-18(24)16-14(11-20-17(16)23)12-6-2-1-3-7-12/h1-10,14,16H,11H2,(H,20,23)(H,22,24)/b21-10-/t14-,16+/m0/s1
SMILES: CC1=CC(=CC2=C1N[C@H]([C@H]3[C@@H]2C=CC3)C4=CN=CC=C4)Cl
InChI: InChI=1S/C18H17ClN2/c1-11-8-13(19)9-16-14-5-2-6-15(14)18(21-17(11)16)12-4-3-7-20-10-12/h2-5,7-10,14-15,18,21H,6H2,1H3/t14-,15+,18-/m0/s1
SMILES: CCCCCC\1=C([C@H]([C@@H](/C1=C/CCC2=CC=CC=C2)OCC3=CC=CC=C3)C(C)C)C
InChI: InChI=1S/C30H40O/c1-5-6-9-20-27-24(4)29(23(2)3)30(31-22-26-17-12-8-13-18-26)28(27)21-14-19-25-15-10-7-11-16-25/h7-8,10-13,15-18,21,23,29-30H,5-6,9,14,19-20,22H2,1-4H3/b28-21+/t29-,30-/m1/s1
SMILES: C1C2=CC=CC=C2[C@H]([C@]1\3CC4=CC=CC=C4/C3=C\C5=CC=CC=C5)CC6=CC=CC=C6
InChI: InChI=1S/C31H26/c1-3-11-23(12-4-1)19-29-27-17-9-7-15-25(27)21-31(29)22-26-16-8-10-18-28(26)30(31)20-24-13-5-2-6-14-24/h1-19,30H,20-22H2/b29-19+/t30-,31-/m1/s1
SMILES: C[C@H]1C(=O)CC[C@@H]2[C@@]1(CC[C@H]3[C@]2(CC[C@@]4([C@@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C)C)C)C)C
InChI: InChI=1S/C30H50O/c1-20-21(31)9-10-22-27(20,5)12-11-23-28(22,6)16-18-30(8)24-19-25(2,3)13-14-26(24,4)15-17-29(23,30)7/h20,22-24H,9-19H2,1-8H3/t20-,22+,23-,24+,26+,27+,28-,29+,30-/m0/s1
SMILES: C1=CC=C(C=C1)CO[C@@H]2[C@H]([C@H]3C(=N[C@@H]([C@H]2OCC4=CC=CC=C4)N3[C@@H](CO)C5=CC=CC=C5)C6=CC=CO6)OCC7=CC=CC=C7
InChI: InChI=1S/C39H38N2O5/c42-24-32(31-20-11-4-12-21-31)41-35-34(33-22-13-23-43-33)40-39(41)38(46-27-30-18-9-3-10-19-30)37(45-26-29-16-7-2-8-17-29)36(35)44-25-28-14-5-1-6-15-28/h1-23,32,35-39,42H,24-27H2/t32-,35+,36-,37+,38-,39+/m0/s1
SMILES: C1CN2C[C@@H]([C@@H]1C[C@@H]2CN3C=C(N=N3)C4=CC=CC=C4)C(=O)NCC5=CC=C(C=C5)F
InChI: InChI=1S/C24H26FN5O/c25-20-8-6-17(7-9-20)13-26-24(31)22-15-29-11-10-19(22)12-21(29)14-30-16-23(27-28-30)18-4-2-1-3-5-18/h1-9,16,19,21-22H,10-15H2,(H,26,31)/t19-,21+,22-/m0/s1
SMILES: C1=CC2[C@H]3[C@H](C1[C@H]4[C@@H]2C(=O)N(C4=O)C5=CC=C(C=C5)O)C(=O)N(C3=O)C6=CC=C(C=C6)O
InChI: InChI=1S/C24H18N2O6/c27-13-5-1-11(2-6-13)25-21(29)17-15-9-10-16(18(17)22(25)30)20-19(15)23(31)26(24(20)32)12-3-7-14(28)8-4-12/h1-10,15-20,27-28H/t15?,16?,17-,18-,19-,20+/m0/s1
SMILES: CCC(CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CCCC[C@]34C)C)C(C)C
InChI: InChI=1S/C29H50/c1-7-22(20(2)3)12-11-21(4)25-15-16-26-24-14-13-23-10-8-9-18-28(23,5)27(24)17-19-29(25,26)6/h10,20-22,24-27H,7-9,11-19H2,1-6H3/t21-,22?,24+,25-,26+,27+,28+,29-/m1/s1
SMILES: CC1OC[C@H]2[C@@H](O1)[C@@H](OC(O2)C)[C@@H](C(=O)OC)O
InChI: InChI=1S/C11H18O7/c1-5-15-4-7-9(17-5)10(18-6(2)16-7)8(12)11(13)14-3/h5-10,12H,4H2,1-3H3/t5?,6?,7-,8-,9+,10-/m0/s1
SMILES: CCCC(=O)N(CCN1CCOCC1)[C@@H]2CC(=C[C@@H]([C@H]2O)OC3=C(C=C(C=C3I)CO)OC)C(=O)NCCO
InChI: InChI=1S/C27H40IN3O8/c1-3-4-24(34)31(7-6-30-8-11-38-12-9-30)21-15-19(27(36)29-5-10-32)16-22(25(21)35)39-26-20(28)13-18(17-33)14-23(26)37-2/h13-14,16,21-22,25,32-33,35H,3-12,15,17H2,1-2H3,(H,29,36)/t21-,22+,25+/m1/s1
SMILES: CC(C)C(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@@]4([C@H](CC[C@@]4([C@@H]3CC[C@@]2(C1)O)O)C5=COC(=O)C=C5)C)C=O
InChI: InChI=1S/C28H38O7/c1-17(2)24(31)35-19-6-11-26(16-29)21-7-10-25(3)20(18-4-5-23(30)34-15-18)9-13-28(25,33)22(21)8-12-27(26,32)14-19/h4-5,15-17,19-22,32-33H,6-14H2,1-3H3/t19-,20+,21-,22+,25+,26-,27-,28-/m0/s1
SMILES: COC1=CC=CC(=C1)C(=O)COC2=CC=CC(=C2)N3C(=O)[C@H]4[C@@H]5CC[C@@H](C5)[C@@H]4C3=O
InChI: InChI=1S/C24H23NO5/c1-29-18-6-2-4-14(11-18)20(26)13-30-19-7-3-5-17(12-19)25-23(27)21-15-8-9-16(10-15)22(21)24(25)28/h2-7,11-12,15-16,21-22H,8-10,13H2,1H3/t15-,16+,21-,22-/m0/s1
SMILES: C[C@@H]1CCCC[C@H]1NC(=S)N2CCN(CC2)C3=NC=C(C=C3)C(F)(F)F
InChI: InChI=1S/C18H25F3N4S/c1-13-4-2-3-5-15(13)23-17(26)25-10-8-24(9-11-25)16-7-6-14(12-22-16)18(19,20)21/h6-7,12-13,15H,2-5,8-11H2,1H3,(H,23,26)/t13-,15-/m1/s1
SMILES: C[C@@]12CC(=O)[C@@H]3[C@@H]([C@@H]1CCC24NCCN4)CC[C@@H]5[C@@H]3CCC6(C5)OCCO6
InChI: InChI=1S/C22H34N2O3/c1-20-13-18(25)19-15-4-6-21(26-10-11-27-21)12-14(15)2-3-16(19)17(20)5-7-22(20)23-8-9-24-22/h14-17,19,23-24H,2-13H2,1H3/t14-,15-,16+,17-,19-,20+/m0/s1
SMILES: C[C@H]1[C@@H](CCC1=O)C(=C)CCCO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C
InChI: InChI=1S/C27H36O2Si/c1-21(25-18-19-26(28)22(25)2)13-12-20-29-30(27(3,4)5,23-14-8-6-9-15-23)24-16-10-7-11-17-24/h6-11,14-17,22,25H,1,12-13,18-20H2,2-5H3/t22-,25-/m0/s1
SMILES: CC1=CC(=CC=C1)C(=O)N[C@H]2[C@@H](/[N+](=C/C3=CC=CC=C3OC)/N=C2[O-])C4=CC=C(C=C4)Cl
InChI: InChI=1S/C25H22ClN3O3/c1-16-6-5-8-18(14-16)24(30)27-22-23(17-10-12-20(26)13-11-17)29(28-25(22)31)15-19-7-3-4-9-21(19)32-2/h3-15,22-23H,1-2H3,(H-,27,28,30,31)/b29-15-/t22-,23-/m0/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)N(C5=O)NC6=C(C=C(C=N6)C(F)(F)F)Cl)C7=CC=C(C=C7)Cl)C(=O)N(C4=O)C8=CC=C(C=C8)NC9=CC=CC=C9)I)O
InChI: InChI=1S/C45H33Cl2F3IN5O6/c1-62-35-18-22(17-34(51)38(35)57)37-29-15-16-30-36(42(60)55(40(30)58)28-13-11-27(12-14-28)53-26-5-3-2-4-6-26)31(29)20-32-41(59)56(43(61)44(32,37)23-7-9-25(46)10-8-23)54-39-33(47)19-24(21-52-39)45(48,49)50/h2-15,17-19,21,30-32,36-37,53,57H,16,20H2,1H3,(H,52,54)/t30-,31+,32-,36-,37-,44+/m0/s1
SMILES: C1CC[C@H]2[C@H](C1)CCCN2C(=O)CN3C4=C(C=C(C=C4)Cl)OC3=O
InChI: InChI=1S/C18H21ClN2O3/c19-13-7-8-15-16(10-13)24-18(23)21(15)11-17(22)20-9-3-5-12-4-1-2-6-14(12)20/h7-8,10,12,14H,1-6,9,11H2/t12-,14+/m1/s1
SMILES: C1COCCN1C2=CC=C(C=C2)NC(=O)[C@@H]3[C@H]4C(=O)O[C@@H]([C@@H](N4[C@@H]([C@]35C6=C(C=CC(=C6)C#CCCO)N(C5=O)C(=O)OCC7=CC=C(C=C7)[N+](=O)[O-])C8=CC=C(C=C8)O)C9=CC=CC=C9)C1=CC=CC=C1
InChI: InChI=1S/C55H47N5O11/c61-30-8-7-9-35-16-27-45-44(33-35)55(53(65)58(45)54(66)70-34-36-14-21-42(22-15-36)60(67)68)46(51(63)56-40-19-23-41(24-20-40)57-28-31-69-32-29-57)48-52(64)71-49(38-12-5-2-6-13-38)47(37-10-3-1-4-11-37)59(48)50(55)39-17-25-43(62)26-18-39/h1-6,10-27,33,46-50,61-62H,8,28-32,34H2,(H,56,63)/t46-,47-,48-,49+,50+,55-/m0/s1
SMILES: CNC[C@@H]1CN(C[C@@H]1F)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F
InChI: InChI=1S/C18H20F2N4O3/c1-21-5-9-6-23(8-14(9)20)17-13(19)4-11-15(25)12(18(26)27)7-24(10-2-3-10)16(11)22-17/h4,7,9-10,14,21H,2-3,5-6,8H2,1H3,(H,26,27)/t9-,14+/m1/s1
SMILES: C1CC2=C3[C@@H](CC=C4[C@@H]3[C@H]1COC4)[C@@H]5[C@H](C2)C(=O)C6=CC=CC=C6C5=O
InChI: InChI=1S/C23H22O3/c24-22-15-3-1-2-4-16(15)23(25)21-17-8-7-14-11-26-10-13-6-5-12(9-18(21)22)20(17)19(13)14/h1-4,7,13,17-19,21H,5-6,8-11H2/t13-,17-,18+,19+,21-/m1/s1
SMILES: C[C@H]1CCCC[C@H]1NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC[C@@H]3C
InChI: InChI=1S/C20H30N2O3S/c1-15-7-3-4-9-19(15)21-20(23)17-10-12-18(13-11-17)26(24,25)22-14-6-5-8-16(22)2/h10-13,15-16,19H,3-9,14H2,1-2H3,(H,21,23)/t15-,16-,19+/m0/s1
SMILES: COC(=O)C(CC#CC1=CC2=C(C=C1)N(C(=O)[C@@]23[C@H]([C@@H]4C(=O)O[C@H]([C@H](N4[C@H]3C5=CC=C(C=C5)O)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N8CCCCCCC8)C(=O)OCC9=CC=C(C=C9)[N+](=O)[O-])C(=O)OC
InChI: InChI=1S/C56H52N4O13/c1-70-51(63)42(52(64)71-2)20-14-15-35-23-30-44-43(33-35)56(54(66)58(44)55(67)72-34-36-21-26-40(27-22-36)60(68)69)45(50(62)57-31-12-4-3-5-13-32-57)47-53(65)73-48(38-18-10-7-11-19-38)46(37-16-8-6-9-17-37)59(47)49(56)39-24-28-41(61)29-25-39/h6-11,16-19,21-30,33,42,45-49,61H,3-5,12-13,20,31-32,34H2,1-2H3/t45-,46-,47-,48+,49+,56-/m1/s1
SMILES: C1=C(C(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N)F
InChI: InChI=1S/C9H12FN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5-,6-,8-/m1/s1
SMILES: CC(=O)NCC[S@@](=O)C1=C(N2[C@H](C1)[C@@H](C2=O)C(C)(C)OS(=O)(=O)O)C(=O)O
InChI: InChI=1S/C14H20N2O9S2/c1-7(17)15-4-5-26(21)9-6-8-10(14(2,3)25-27(22,23)24)12(18)16(8)11(9)13(19)20/h8,10H,4-6H2,1-3H3,(H,15,17)(H,19,20)(H,22,23,24)/t8-,10+,26-/m1/s1
SMILES: C1C[C@@H]2[C@@H](C2(Cl)Cl)CC[C@H]3[C@@H]1C3C(=O)NC4=CC=CC(=C4)C(F)(F)F
InChI: InChI=1S/C18H18Cl2F3NO/c19-17(20)13-6-4-11-12(5-7-14(13)17)15(11)16(25)24-10-3-1-2-9(8-10)18(21,22)23/h1-3,8,11-15H,4-7H2,(H,24,25)/t11-,12+,13-,14+,15?