EdisonScientific/glyph-datasets huggingface dataset:
SMILES: COC1=C2C3=C(CN(CC[C@]34C=C[C@@H](C[C@@H]4O2)O)CCCN5CCCCC5)C=C1
InChI: InChI=1S/C24H34N2O3/c1-28-20-7-6-18-17-26(14-5-13-25-11-3-2-4-12-25)15-10-24-9-8-19(27)16-21(24)29-23(20)22(18)24/h6-9,19,21,27H,2-5,10-17H2,1H3/t19-,21-,24-/m0/s1
SMILES: CCOC(=O)OC1=C(C=C(C=C1OC)C(=O)O[C@H]2C[C@@H]3CN4CCC5=C([C@H]4C[C@@H]3[C@@H]([C@H]2OC)C(=O)OC)NC6=C5C=CC(=C6)OC)OC
InChI: InChI=1S/C35H42N2O11/c1-7-46-35(40)48-31-26(42-3)12-18(13-27(31)43-4)33(38)47-28-14-19-17-37-11-10-22-21-9-8-20(41-2)15-24(21)36-30(22)25(37)16-23(19)29(32(28)44-5)34(39)45-6/h8-9,12-13,15,19,23,25,28-29,32,36H,7,10-11,14,16-17H2,1-6H3/t19-,23+,25-,28+,29+,32+/m1/s1
SMILES: COCC1=CN(N=N1)[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NS(=O)(=O)C4=CC5=CC=CC=C5C=C4
InChI: InChI=1S/C20H22N4O5S/c1-27-10-15-9-24(23-21-15)18-12-29-19-17(11-28-20(18)19)22-30(25,26)16-7-6-13-4-2-3-5-14(13)8-16/h2-9,17-20,22H,10-12H2,1H3/t17-,18-,19+,20+/m0/s1
SMILES: CCCC/C=C/C=C/[C@@H]1CCC[C@@H]2[C@H]1C[C@@H]([C@@H](N2C(=O)OC(C)(C)C)C)O
InChI: InChI=1S/C23H39NO3/c1-6-7-8-9-10-11-13-18-14-12-15-20-19(18)16-21(25)17(2)24(20)22(26)27-23(3,4)5/h9-11,13,17-21,25H,6-8,12,14-16H2,1-5H3/b10-9+,13-11+/t17-,18+,19-,20+,21-/m0/s1
SMILES: CC[NH+](CC)CC.CC[NH+](CC)CC.C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)F)COP(=S)([O-])[S-])O
InChI: InChI=1S/C9H12FN2O6PS2.2C6H15N/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(18-7)3-17-19(16,20)21;2*1-4-7(5-2)6-3/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,20,21);2*4-6H2,1-3H3/t5-,6+,7+;;/m0../s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[C@@H]3C[C@@H]4C[C@@]4(C3)C(=O)OC
InChI: InChI=1S/C24H30O3Si/c1-23(2,3)28(20-11-7-5-8-12-20,21-13-9-6-10-14-21)27-19-15-18-16-24(18,17-19)22(25)26-4/h5-14,18-19H,15-17H2,1-4H3/t18-,19-,24+/m1/s1
SMILES: CC1(N([C@H]([C@H](O1)CN(C[C@@H]2[C@@H](N(C(O2)(C)C)C(=O)OC(C)(C)C)CC3=CC=C(C=C3)OCCO)C(=O)OCC[Si](C)(C)C)CC4=CC=CC=C4)C(=O)OC(C)(C)C)C
InChI: InChI=1S/C44H69N3O10Si/c1-41(2,3)56-39(50)46-34(27-31-17-15-14-16-18-31)36(54-43(46,7)8)29-45(38(49)53-25-26-58(11,12)13)30-37-35(28-32-19-21-33(22-20-32)52-24-23-48)47(44(9,10)55-37)40(51)57-42(4,5)6/h14-22,34-37,48H,23-30H2,1-13H3/t34-,35-,36+,37+/m0/s1
SMILES: CCN(CC)C(=O)[C@]1(C[C@H]1[C@H](C2=CC=CC=C2)O)C3=CC=CC=C3
InChI: InChI=1S/C21H25NO2/c1-3-22(4-2)20(24)21(17-13-9-6-10-14-17)15-18(21)19(23)16-11-7-5-8-12-16/h5-14,18-19,23H,3-4,15H2,1-2H3/t18-,19-,21+/m0/s1
SMILES: CC[Si](CC)(CC)O[C@](C)(/C=C/[C@H]1[C@H](C=CC(=O)O1)O[Si](C)(C)C(C)(C)C)[C@@H](C[C@H](/C=C\C=C/C=C/CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OP(=O)(OCC=C)OCC=C
InChI: InChI=1S/C59H95O10PSi4/c1-20-45-62-70(61,63-46-21-2)66-54(59(15,69-73(22-3,23-4)24-5)44-43-52-53(41-42-55(60)65-52)68-72(18,19)57(9,10)11)48-49(67-71(16,17)56(6,7)8)36-30-26-25-27-35-47-64-74(58(12,13)14,50-37-31-28-32-38-50)51-39-33-29-34-40-51/h20-21,25-44,49,52-54H,1-2,22-24,45-48H2,3-19H3/b26-25-,35-27+,36-30-,44-43+/t49-,52-,53-,54+,59+/m0/s1
SMILES: CC1(CC2=C([C@H]([C@](C(=N2)SCC(=O)[O-])(CC=C)C#N)C3=CC=CC=C3)C(=O)C1)C
InChI: InChI=1S/C23H24N2O3S/c1-4-10-23(14-24)20(15-8-6-5-7-9-15)19-16(11-22(2,3)12-17(19)26)25-21(23)29-13-18(27)28/h4-9,20H,1,10-13H2,2-3H3,(H,27,28)/p-1/t20-,23+/m1/s1
SMILES: CCCCCCCCCCCCOC(=O)N(CC1=CC=C(C=C1)F)[C@H]2CC(=NOCC3=CC=CC=C3)C4=C[C@@H]([C@H]([C@H]5[C@@H]4[C@@]2(OC6=C5C=C(C=C6)OC7=CC=C(C=C7)C8=CC=CC=C8)OCC=C)CCCCO)CCCCO
InChI: InChI=1S/C66H81FN2O8/c1-3-5-6-7-8-9-10-11-12-23-43-73-65(72)69(47-49-30-34-54(67)35-31-49)62-46-60(68-75-48-50-24-15-13-16-25-50)58-44-53(28-19-21-40-70)57(29-20-22-41-71)63-59-45-56(38-39-61(59)77-66(62,64(58)63)74-42-4-2)76-55-36-32-52(33-37-55)51-26-17-14-18-27-51/h4,13-18,24-27,30-39,44-45,53,57,62-64,70-71H,2-3,5-12,19-23,28-29,40-43,46-48H2,1H3/t53-,57+,62-,63+,64+,66+/m0/s1
SMILES: COC1=C2[C@@H]3CCCC[C@H]3O[C@H](C2=C(C=C1)OC)C4=CC=C(C=C4)[N+](=O)[O-]
InChI: InChI=1S/C21H23NO5/c1-25-17-11-12-18(26-2)20-19(17)15-5-3-4-6-16(15)27-21(20)13-7-9-14(10-8-13)22(23)24/h7-12,15-16,21H,3-6H2,1-2H3/t15-,16-,21+/m1/s1
SMILES: CC(C)(C)[Si]1(OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)CC=C)O)OCC3=CC=CC=C3)C(C)(C)C
InChI: InChI=1S/C24H38O5Si/c1-8-12-18-20(25)22(26-15-17-13-10-9-11-14-17)21-19(28-18)16-27-30(29-21,23(2,3)4)24(5,6)7/h8-11,13-14,18-22,25H,1,12,15-16H2,2-7H3/t18-,19+,20-,21+,22+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)NC(=O)C2=CC=C(C=C2)C(=O)N[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(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C36H44N2O20/c1-15(39)49-13-25-27(51-17(3)41)29(53-19(5)43)31(55-21(7)45)35(57-25)37-33(47)23-9-11-24(12-10-23)34(48)38-36-32(56-22(8)46)30(54-20(6)44)28(52-18(4)42)26(58-36)14-50-16(2)40/h9-12,25-32,35-36H,13-14H2,1-8H3,(H,37,47)(H,38,48)/t25-,26-,27+,28+,29+,30+,31-,32-,35-,36-/m1/s1
SMILES: CC1=C[C@H](OC1=O)O/C=C/2\[C@H]3C=C4CCCC([C@@]4([C@H]3OC2=O)O)(C)C
InChI: InChI=1S/C19H22O6/c1-10-7-14(24-16(10)20)23-9-13-12-8-11-5-4-6-18(2,3)19(11,22)15(12)25-17(13)21/h7-9,12,14-15,22H,4-6H2,1-3H3/b13-9+/t12-,14+,15+,19-/m1/s1
SMILES: CC1=CC=C(C=C1)[C@H]2[C@H]3C(=NC4=CC=CC=C4N2C(=O)CCC(=O)O)C[C@@H](CC3=O)C5=CC=CC=C5
InChI: InChI=1S/C30H28N2O4/c1-19-11-13-21(14-12-19)30-29-24(17-22(18-26(29)33)20-7-3-2-4-8-20)31-23-9-5-6-10-25(23)32(30)27(34)15-16-28(35)36/h2-14,22,29-30H,15-18H2,1H3,(H,35,36)/t22-,29-,30-/m0/s1
SMILES: CCCOC1=CC=CC=C1[C@@H]2[C@H]3C(=O)CC(C=C3NC4=CC=CC=C4N2)(C)C
InChI: InChI=1S/C24H28N2O2/c1-4-13-28-21-12-8-5-9-16(21)23-22-19(14-24(2,3)15-20(22)27)25-17-10-6-7-11-18(17)26-23/h5-12,14,22-23,25-26H,4,13,15H2,1-3H3/t22-,23-/m1/s1
SMILES: C[C@H]1CCCC[C@]12C(=O)N(C(=O)N2)CN3CCN(CC3)C4=CC=CC=C4
InChI: InChI=1S/C20H28N4O2/c1-16-7-5-6-10-20(16)18(25)24(19(26)21-20)15-22-11-13-23(14-12-22)17-8-3-2-4-9-17/h2-4,8-9,16H,5-7,10-15H2,1H3,(H,21,26)/t16-,20+/m0/s1
SMILES: C1C=C[C@H]2[C@@H]1[C@@H](NC3=C2C4=CC=CC=C4C=C3)C5=CC(=CC=C5)[N+](=O)[O-]
InChI: InChI=1S/C22H18N2O2/c25-24(26)16-7-3-6-15(13-16)22-19-10-4-9-18(19)21-17-8-2-1-5-14(17)11-12-20(21)23-22/h1-9,11-13,18-19,22-23H,10H2/t18-,19+,22-/m0/s1
SMILES: C1=CC=C(C=C1)N2[C@H]([C@@H]3[C@@H](O2)C(=O)N(C3=O)C4=CC=CC=C4)C5=CC=C(C=C5)C#N
InChI: InChI=1S/C24H17N3O3/c25-15-16-11-13-17(14-12-16)21-20-22(30-27(21)19-9-5-2-6-10-19)24(29)26(23(20)28)18-7-3-1-4-8-18/h1-14,20-22H/t20-,21+,22-/m1/s1
SMILES: C[C@H]1[C@H]([C@H]([C@H]([C@H](O1)NNC(=O)C2=CC=C(C=C2)Cl)O)O)O
InChI: InChI=1S/C13H17ClN2O5/c1-6-9(17)10(18)11(19)13(21-6)16-15-12(20)7-2-4-8(14)5-3-7/h2-6,9-11,13,16-19H,1H3,(H,15,20)/t6-,9+,10+,11+,13-/m0/s1
SMILES: C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)NC(=O)C3=CC=CC=C3)NC4=NC=CC(=N4)C5=CC=CO5
InChI: InChI=1S/C21H20N4O4/c26-20(13-5-2-1-3-6-13)23-15-11-28-19-16(12-29-18(15)19)25-21-22-9-8-14(24-21)17-7-4-10-27-17/h1-10,15-16,18-19H,11-12H2,(H,23,26)(H,22,24,25)/t15-,16-,18+,19+/m0/s1
SMILES: CCCCCCCCCCCCNC(=O)OC1=CC2=C(C=C1)O[C@@]3([C@H](CC(=NOC)C4=C[C@@H]([C@H]([C@H]2[C@@H]43)CCCCO)CCCCO)N(CCC)C(=O)OCCCCCCCCCCCC)OCC=C
InChI: InChI=1S/C57H95N3O9/c1-6-10-12-14-16-18-20-22-24-28-36-58-55(63)68-46-34-35-51-49(43-46)53-47(33-27-30-39-62)45(32-26-29-38-61)42-48-50(59-65-5)44-52(57(69-51,54(48)53)67-40-9-4)60(37-8-3)56(64)66-41-31-25-23-21-19-17-15-13-11-7-2/h9,34-35,42-43,45,47,52-54,61-62H,4,6-8,10-33,36-41,44H2,1-3,5H3,(H,58,63)/t45-,47+,52-,53+,54+,57+/m0/s1
SMILES: CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@]([C@@H](O2)OC(=O)C)(C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C20H24O9/c1-11-6-8-15(9-7-11)18(24)25-10-16-17(26-12(2)21)20(5,29-14(4)23)19(28-16)27-13(3)22/h6-9,16-17,19H,10H2,1-5H3/t16-,17-,19-,20-/m1/s1
SMILES: CC[C@H](C)N1C(=O)[C@H]2[C@@H](C1=O)[C@@]3(C4=C(C=CC(=C4)F)NC3=O)[NH2+][C@@H]2[C@@H](C)O
InChI: InChI=1S/C19H22FN3O4/c1-4-8(2)23-16(25)13-14(17(23)26)19(22-15(13)9(3)24)11-7-10(20)5-6-12(11)21-18(19)27/h5-9,13-15,22,24H,4H2,1-3H3,(H,21,27)/p+1/t8-,9+,13-,14-,15+,19+/m0/s1
SMILES: COC1=CC(=CC2=C1N[C@@H]([C@H]3[C@H]2C=CC3)C4=CC=C(C=C4)Br)[N+](=O)[O-]
InChI: InChI=1S/C19H17BrN2O3/c1-25-17-10-13(22(23)24)9-16-14-3-2-4-15(14)18(21-19(16)17)11-5-7-12(20)8-6-11/h2-3,5-10,14-15,18,21H,4H2,1H3/t14-,15-,18-/m1/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C/C(=N/OCC(=O)O)/C4=C3C=CC(=C4)O
InChI: InChI=1S/C20H25NO5/c1-20-7-6-13-12-3-2-11(22)8-15(12)17(21-26-10-19(24)25)9-14(13)16(20)4-5-18(20)23/h2-3,8,13-14,16,18,22-23H,4-7,9-10H2,1H3,(H,24,25)/b21-17-/t13-,14-,16+,18+,20+/m1/s1
SMILES: CC[C@@H]1[C@@]2([C@H]([C@H](/C(=C/CNCCC3=CC=C(C=C3)C4=CN=CC=C4)/[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)OC5[C@@H]([C@H](C[C@H](O5)C)N(C)C)O)(C)OC)C)C)NC(=O)O2)C
InChI: InChI=1S/C46H68N4O9/c1-12-37-46(8)40(49-44(54)59-46)29(4)35(20-23-47-22-19-32-15-17-33(18-16-32)34-14-13-21-48-26-34)27(2)25-45(7,55-11)41(30(5)38(51)31(6)42(53)57-37)58-43-39(52)36(50(9)10)24-28(3)56-43/h13-18,20-21,26-31,36-37,39-41,43,47,52H,12,19,22-25H2,1-11H3,(H,49,54)/b35-20+/t27-,28-,29+,30+,31-,36+,37-,39-,40+,41-,43?,45-,46-/m1/s1
SMILES: CCO/N=C/[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI: InChI=1S/C12H16N6O4/c1-2-21-17-3-6-8(19)9(20)12(22-6)18-5-16-7-10(13)14-4-15-11(7)18/h3-6,8-9,12,19-20H,2H2,1H3,(H2,13,14,15)/b17-3+/t6-,8-,9-,12-/m1/s1
SMILES: C1[C@@H]([C@@H]([C@@H](N1)C[C@H]([C@@H](CO)O)O)O)O
InChI: InChI=1S/C8H17NO5/c10-3-7(13)5(11)1-4-8(14)6(12)2-9-4/h4-14H,1-3H2/t4-,5+,6-,7+,8+/m0/s1
SMILES: C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C)NC(=O)[C@H](C(C)C)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)O[C@@H]5[C@@H]([C@H]([C@H]([C@H](O5)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C
InChI: InChI=1S/C47H62N4O15/c1-24(2)37(50-46(59)61-22-34-32-18-13-11-16-30(32)31-17-12-14-19-33(31)34)42(56)49-38(43(57)51-21-15-20-35(51)44(58)66-47(8,9)10)25(3)62-45-39(48-26(4)52)41(64-29(7)55)40(63-28(6)54)36(65-45)23-60-27(5)53/h11-14,16-19,24-25,34-41,45H,15,20-23H2,1-10H3,(H,48,52)(H,49,56)(H,50,59)/t25-,35+,36-,37+,38+,39-,40+,41-,45+/m1/s1
SMILES: CC1=C(C(C[C@@H](C1)OC(=O)C)(C)C)CC[C@@H](C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C29H44O12/c1-15-12-22(37-18(4)31)13-29(8,9)23(15)11-10-16(2)36-28-27(40-21(7)34)26(39-20(6)33)25(38-19(5)32)24(41-28)14-35-17(3)30/h16,22,24-28H,10-14H2,1-9H3/t16-,22-,24-,25-,26+,27-,28-/m1/s1
SMILES: C[C@@]12CCC3[C@@]([C@H]1CC[C@@]4(C2=CC[C@@]5(C4CC(CC5)(C)C)C(=O)O)C)([C@@H](C[C@@H](C3(C)C)O)O)C
InChI: InChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)13-10-19-27(5)11-8-18-26(3,4)22(31)16-23(32)29(18,7)20(27)9-12-28(19,6)21(30)17-25/h10,18,20-23,31-32H,8-9,11-17H2,1-7H3,(H,33,34)/t18?,20-,21?,22-,23+,27-,28+,29-,30+/m0/s1
SMILES: CCC1=CC=C(C=C1)[C@H]2[C@H]([C@@](NC(=O)N2)(C(F)(F)F)O)C(=O)C3=CC=C(C=C3)C
InChI: InChI=1S/C21H21F3N2O3/c1-3-13-6-10-14(11-7-13)17-16(18(27)15-8-4-12(2)5-9-15)20(29,21(22,23)24)26-19(28)25-17/h4-11,16-17,29H,3H2,1-2H3,(H2,25,26,28)/t16-,17-,20-/m0/s1
SMILES: C/C=C\1/CN2CCC34C5=CC=CC=C5N=C[C@]3([C@H]1C[C@H]2C4=O)C(=O)OC
InChI: InChI=1S/C21H22N2O3/c1-3-13-11-23-9-8-20-14-6-4-5-7-16(14)22-12-21(20,19(25)26-2)15(13)10-17(23)18(20)24/h3-7,12,15,17H,8-11H2,1-2H3/b13-3-/t15-,17-,20?,21-/m0/s1
SMILES: C[C@H](/C=C/[C@H](C(C)(C)[N+](=O)[O-])O)[C@H]1CC[C@@H]2[C@@]1(CCC[C@@H]2OC(=O)C3=CC=CC=C3)C
InChI: InChI=1S/C25H35NO5/c1-17(12-15-22(27)24(2,3)26(29)30)19-13-14-20-21(11-8-16-25(19,20)4)31-23(28)18-9-6-5-7-10-18/h5-7,9-10,12,15,17,19-22,27H,8,11,13-14,16H2,1-4H3/b15-12+/t17-,19-,20+,21+,22-,25-/m1/s1
SMILES: CCC(CC)NC1=C2C(=NC(=N1)N[C@H](CO)C(C)C)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)C4=NC(=NO4)C)O)O
InChI: InChI=1S/C22H34N8O5/c1-6-12(7-2)25-18-14-19(28-22(27-18)26-13(8-31)10(3)4)30(9-23-14)21-16(33)15(32)17(34-21)20-24-11(5)29-35-20/h9-10,12-13,15-17,21,31-33H,6-8H2,1-5H3,(H2,25,26,27,28)/t13-,15+,16-,17+,21-/m1/s1
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]3[C@@H]2C(=O)N(C3=O)CC(=O)NC4=CC=C(C=C4)I
InChI: InChI=1S/C17H15IN2O3/c18-11-3-5-12(6-4-11)19-13(21)8-20-16(22)14-9-1-2-10(7-9)15(14)17(20)23/h1-6,9-10,14-15H,7-8H2,(H,19,21)/t9-,10+,14-,15-/m1/s1
SMILES: COC1=CC=CC(=C1O)[C@@H]2[C@H]3[C@@H](C[C@@H]4C2=CC[C@H]5[C@@H]4C(=O)N(C5=O)C6=CC=CC=C6)C(=O)N(C3=O)C7=CC=CC=C7
InChI: InChI=1S/C33H28N2O6/c1-41-25-14-8-13-21(29(25)36)26-20-15-16-22-27(32(39)34(30(22)37)18-9-4-2-5-10-18)23(20)17-24-28(26)33(40)35(31(24)38)19-11-6-3-7-12-19/h2-15,22-24,26-28,36H,16-17H2,1H3/t22-,23+,24+,26+,27-,28+/m0/s1
SMILES: C[C@H]1CC[C@]2(C[C@@H]3C[C@H](O2)C/C=C(/C[C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5N=[N+]=[N-])C)C(=O)O3)O)C)\C)O[C@@H]1C(C)C
InChI: InChI=1S/C33H47N3O6/c1-19(2)29-22(5)12-13-32(42-29)17-26-16-25(41-32)11-10-21(4)14-20(3)8-7-9-24-18-39-30-28(35-36-34)23(6)15-27(31(37)40-26)33(24,30)38/h7-10,15,19-20,22,25-30,38H,11-14,16-18H2,1-6H3/b8-7+,21-10+,24-9+/t20-,22-,25+,26-,27-,28+,29+,30+,32+,33+/m0/s1
SMILES: CC[C@@H]1CN(C[C@@H]([C@@H]1CC(=O)NCCC2=CC=CC=C2)O)CC3=CC=CC=C3
InChI: InChI=1S/C24H32N2O2/c1-2-21-17-26(16-20-11-7-4-8-12-20)18-23(27)22(21)15-24(28)25-14-13-19-9-5-3-6-10-19/h3-12,21-23,27H,2,13-18H2,1H3,(H,25,28)/t21-,22-,23+/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-/m1/s1
SMILES: C1=CC2=NN(N=C2C=C1)[C@@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)CO)O)O)O
InChI: InChI=1S/C12H15N3O5/c16-5-8-9(17)10(18)11(19)12(20-8)15-13-6-3-1-2-4-7(6)14-15/h1-4,8-12,16-19H,5H2/t8-,9+,10+,11-,12-/m0/s1
SMILES: CC1([C@@H]2CC[C@]1([C@]([C@@H]2OCOC)(C3=CCCCC34OCCO4)O)/C=C/OC5=CC=C(C=C5)OC)C
InChI: InChI=1S/C28H38O7/c1-25(2)22-12-14-26(25,15-16-32-21-10-8-20(31-4)9-11-21)28(29,24(22)33-19-30-3)23-7-5-6-13-27(23)34-17-18-35-27/h7-11,15-16,22,24,29H,5-6,12-14,17-19H2,1-4H3/b16-15+/t22-,24-,26+,28-/m1/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OCC(=O)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5=CC(=O)CC[C@]45C)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C35H48O12/c1-18(36)42-17-29-30(44-19(2)37)31(45-20(3)38)32(46-21(4)39)33(47-29)43-16-28(41)27-10-9-25-24-8-7-22-15-23(40)11-13-34(22,5)26(24)12-14-35(25,27)6/h15,24-27,29-33H,7-14,16-17H2,1-6H3/t24-,25-,26-,27+,29+,30+,31-,32+,33-,34-,35-/m0/s1
SMILES: C[C@@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@@H]3[C@@H]2C(=O)C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChI: InChI=1S/C25H40O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-19,21,23,26,28H,5-13H2,1-4H3/t14-,15-,16+,17+,18-,19+,21-,23+,24-,25+/m0/s1
SMILES: CC(C)C[C@@H](C#N)NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)C2=CC=C(C=C2)OCCN3C=CC=C3
InChI: InChI=1S/C26H34N4O3/c1-19(2)17-21(18-27)28-26(32)23-7-3-4-8-24(23)29-25(31)20-9-11-22(12-10-20)33-16-15-30-13-5-6-14-30/h5-6,9-14,19,21,23-24H,3-4,7-8,15-17H2,1-2H3,(H,28,32)(H,29,31)/t21-,23+,24-/m0/s1
SMILES: C1CCC(C1)N2C=C(C3=CC=CC=C32)CCNC4=C5C(=NC=N4)N(C=N5)[C@H]6[C@@H]([C@@H]([C@H](O6)C(=O)NC7CC7)O)O
InChI: InChI=1S/C28H33N7O4/c36-22-23(37)28(39-24(22)27(38)33-17-9-10-17)35-15-32-21-25(30-14-31-26(21)35)29-12-11-16-13-34(18-5-1-2-6-18)20-8-4-3-7-19(16)20/h3-4,7-8,13-15,17-18,22-24,28,36-37H,1-2,5-6,9-12H2,(H,33,38)(H,29,30,31)/t22-,23+,24-,28+/m0/s1
SMILES: CCCCNC(=O)[C@@H]1[C@H]([C@H](CN1C(=O)C2=C(C=C(C=C2)F)F)O)O
InChI: InChI=1S/C16H20F2N2O4/c1-2-3-6-19-15(23)13-14(22)12(21)8-20(13)16(24)10-5-4-9(17)7-11(10)18/h4-5,7,12-14,21-22H,2-3,6,8H2,1H3,(H,19,23)/t12-,13-,14-/m0/s1
SMILES: CCC[C@@H](C(=O)C(=O)NCC(=O)N[C@@H](C1=CC=CC=C1)C(=O)OC(C)(C)C)NC(=O)[C@@H]2[C@@H]3[C@@H]4CN2C(=O)[C@@H](NC(=O)CC5=CC(=CC=C5)OCCC[C@@H](O4)O3)C6CCCCC6
InChI: InChI=1S/C45H59N5O11/c1-5-14-31(39(53)42(55)46-25-34(52)49-37(29-18-10-7-11-19-29)44(57)61-45(2,3)4)47-41(54)38-40-32-26-50(38)43(56)36(28-16-8-6-9-17-28)48-33(51)24-27-15-12-20-30(23-27)58-22-13-21-35(59-32)60-40/h7,10-12,15,18-20,23,28,31-32,35-38,40H,5-6,8-9,13-14,16-17,21-22,24-26H2,1-4H3,(H,46,55)(H,47,54)(H,48,51)(H,49,52)/t31-,32-,35-,36-,37-,38-,40-/m0/s1
SMILES: CCC[C@@H]1[C@@]2([C@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@](C(=O)O1)(C)F)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC/C=C/C4=C5C=CC=NC5=CC=C4)C)C)NC(=O)O2)C
InChI: InChI=1S/C43H60FN3O10/c1-11-15-32-43(8)35(46-40(52)57-43)26(4)33(48)24(2)23-41(6,53-21-14-17-28-16-12-19-30-29(28)18-13-20-45-30)37(27(5)36(50)42(7,44)39(51)55-32)56-38-34(49)31(47(9)10)22-25(3)54-38/h12-14,16-20,24-27,31-32,34-35,37-38,49H,11,15,21-23H2,1-10H3,(H,46,52)/b17-14+/t24-,25-,26+,27+,31+,32-,34-,35+,37-,38+,41-,42+,43-/m1/s1
SMILES: COC(=O)C1=CC=CC2=C1N[C@@H]([C@@H]3[C@H]2C=CC3)C4=CC=NC=C4
InChI: InChI=1S/C19H18N2O2/c1-23-19(22)16-7-3-6-15-13-4-2-5-14(13)17(21-18(15)16)12-8-10-20-11-9-12/h2-4,6-11,13-14,17,21H,5H2,1H3/t13-,14+,17-/m1/s1
SMILES: CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)OC/C=C/C3=CN=CC=C3)N(C)C)O)CC=O)C)\C)CF
InChI: InChI=1S/C39H57FN2O9/c1-8-33-30(22-40)19-24(2)13-14-31(44)25(3)20-29(15-17-43)37(26(4)32(45)21-34(46)50-33)51-39-36(47)35(42(6)7)38(27(5)49-39)48-18-10-12-28-11-9-16-41-23-28/h9-14,16-17,19,23,25-27,29-30,32-33,35-39,45,47H,8,15,18,20-22H2,1-7H3/b12-10+,14-13+,24-19+/t25-,26+,27-,29+,30-,32-,33-,35-,36-,37-,38-,39+/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)COS(=O)(=O)O)OS(=O)(=O)O)O
InChI: InChI=1S/C17H27N3O23P2S2/c1-6(21)18-10-12(24)14(42-47(34,35)36)8(5-38-46(31,32)33)40-16(10)41-45(29,30)43-44(27,28)37-4-7-11(23)13(25)15(39-7)20-3-2-9(22)19-17(20)26/h2-3,7-8,10-16,23-25H,4-5H2,1H3,(H,18,21)(H,27,28)(H,29,30)(H,19,22,26)(H,31,32,33)(H,34,35,36)/t7-,8-,10-,11-,12-,13-,14+,15-,16+/m1/s1
SMILES: C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H](C)OC(=O)C2=CC(=CN2C)C(=O)C
InChI: InChI=1S/C19H28N2O4/c1-11-7-6-8-16(12(11)2)20-18(23)14(4)25-19(24)17-9-15(13(3)22)10-21(17)5/h9-12,14,16H,6-8H2,1-5H3,(H,20,23)/t11-,12-,14-,16+/m1/s1
SMILES: CCOC(=O)/C=C(\C)/C=C/[C@]12[C@](O1)(C[C@H](CC2(C)C)O)C
InChI: InChI=1S/C17H26O4/c1-6-20-14(19)9-12(2)7-8-17-15(3,4)10-13(18)11-16(17,5)21-17/h7-9,13,18H,6,10-11H2,1-5H3/b8-7+,12-9+/t13-,16+,17-/m0/s1
SMILES: C[C@H]1[C@@H]([C@H]([C@@]23[C@@H]([C@@]1(C)C/C=C(\C)/C=C)C[C@@H](C=C2[C@@H](O[C@@H]3OC(=O)C)OC(=O)C)OC(=O)CC(C)C)O)O
InChI: InChI=1S/C29H42O9/c1-9-16(4)10-11-28(8)17(5)24(33)25(34)29-21(26(35-18(6)30)38-27(29)36-19(7)31)13-20(14-22(28)29)37-23(32)12-15(2)3/h9-10,13,15,17,20,22,24-27,33-34H,1,11-12,14H2,2-8H3/b16-10+/t17-,20+,22+,24-,25+,26+,27-,28-,29-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]2(C#C)O)CC[C@@H]4[C@@]3(CC5=CN(N=C5C4)S(=O)(=O)C)C
InChI: InChI=1S/C23H32N2O3S/c1-5-23(26)11-9-19-17-7-6-16-12-20-15(14-25(24-20)29(4,27)28)13-21(16,2)18(17)8-10-22(19,23)3/h1,14,16-19,26H,6-13H2,2-4H3/t16-,17+,18-,19-,21-,22-,23+/m0/s1
SMILES: CC1([C@@H]2CC[C@]1([C@@](C2)(CNC(=O)CC34CC5CC(C3)CC(C5)C4)O)CS(=O)(=O)N6CCC7(CC6)C=CC8=CC=CC=C78)C
InChI: InChI=1S/C36H50N2O4S/c1-32(2)29-8-10-35(32,24-43(41,42)38-13-11-34(12-14-38)9-7-28-5-3-4-6-30(28)34)36(40,21-29)23-37-31(39)22-33-18-25-15-26(19-33)17-27(16-25)20-33/h3-7,9,25-27,29,40H,8,10-24H2,1-2H3,(H,37,39)/t25?,26?,27?,29-,33?,35+,36-/m1/s1
SMILES: C[C@]12CCCC([C@@H]1[C@@H]3[C@@H]4[C@@H]2CC5=C([C@H]4C(=O)O[C@@H]3F)C=CO5)(C)C
InChI: InChI=1S/C20H25FO3/c1-19(2)6-4-7-20(3)11-9-12-10(5-8-23-12)13-14(11)15(16(19)20)17(21)24-18(13)22/h5,8,11,13-17H,4,6-7,9H2,1-3H3/t11-,13+,14+,15-,16-,17-,20+/m0/s1
SMILES: CC1=NO[C@]2([C@H]1[N+](=O)[O-])C[C@H](CC(=O)C2)C3=CC=CC=C3
InChI: InChI=1S/C15H16N2O4/c1-10-14(17(19)20)15(21-16-10)8-12(7-13(18)9-15)11-5-3-2-4-6-11/h2-6,12,14H,7-9H2,1H3/t12-,14-,15+/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1N2C(=O)C(=O)N(C2=O)CC(=O)C3=CC=CC=C3
InChI: InChI=1S/C18H20N2O4/c1-12-7-5-6-10-14(12)20-17(23)16(22)19(18(20)24)11-15(21)13-8-3-2-4-9-13/h2-4,8-9,12,14H,5-7,10-11H2,1H3/t12-,14-/m0/s1
SMILES: CC1=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(=C(C=C6)F)Cl)C)C(=O)N(C4=O)C)O
InChI: InChI=1S/C29H26ClFN2O5/c1-13-10-14(4-9-22(13)34)24-16-6-7-17-23(27(37)32(3)25(17)35)18(16)12-19-26(36)33(28(38)29(19,24)2)15-5-8-21(31)20(30)11-15/h4-6,8-11,17-19,23-24,34H,7,12H2,1-3H3/t17-,18+,19-,23-,24-,29+/m0/s1
SMILES: CCOC(=O)C1=NN[C@@H]2[C@@H]1C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC
InChI: InChI=1S/C16H15N3O6/c1-3-25-16(23)12-10-11(17-18-12)14(21)19(13(10)20)9-6-4-8(5-7-9)15(22)24-2/h4-7,10-11,17H,3H2,1-2H3/t10-,11+/m0/s1
SMILES: CCC[C@@H]1[C@@H]2[C@H](/C=C/CC[C@@H](C(=O)O1)OCOC)OC(O2)(C)C
InChI: InChI=1S/C17H28O6/c1-5-8-12-15-13(22-17(2,3)23-15)9-6-7-10-14(16(18)21-12)20-11-19-4/h6,9,12-15H,5,7-8,10-11H2,1-4H3/b9-6+/t12-,13+,14+,15-/m1/s1
SMILES: CC1=NN(C(=O)[C@]12[C@@H](O2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI: InChI=1S/C17H13ClN2O2/c1-11-17(15(22-17)12-7-9-13(18)10-8-12)16(21)20(19-11)14-5-3-2-4-6-14/h2-10,15H,1H3/t15-,17+/m0/s1
SMILES: CC(C1[C@H]([C@@H]([C@@H](O1)OC2=C(C=C(C=C2)/C=C(/C)\C(=O)N[C@@H]3[C@@H]([C@H]([C@@H]4[C@H]([C@@H]3O)OCO4)O)O)O)O)O)OCC5=CC(=C(C=C5)Cl)Cl
InChI: InChI=1S/C30H35Cl2NO12/c1-12(29(40)33-20-21(35)23(37)28-27(22(20)36)42-11-43-28)7-14-4-6-19(18(34)9-14)44-30-25(39)24(38)26(45-30)13(2)41-10-15-3-5-16(31)17(32)8-15/h3-9,13,20-28,30,34-39H,10-11H2,1-2H3,(H,33,40)/b12-7-/t13?,20-,21+,22-,23-,24+,25+,26?,27+,28-,30-/m1/s1
SMILES: CC1([C@@H]2C[C@@H]([C@]3([C@H]1C(=O)N(C3)[C@@H](CO)C4=CC=CC=C4)O2)O)C
InChI: InChI=1S/C18H23NO4/c1-17(2)14-8-13(21)18(23-14)10-19(16(22)15(17)18)12(9-20)11-6-4-3-5-7-11/h3-7,12-15,20-21H,8-10H2,1-2H3/t12-,13-,14-,15-,18+/m0/s1
SMILES: C[C@]1([C@]2([C@@]1(C(N=C2N)(OC)OC)C#N)C#N)C3=CC=C(C=C3)C4=CC=CC=C4
InChI: InChI=1S/C22H20N4O2/c1-19(17-11-9-16(10-12-17)15-7-5-4-6-8-15)20(13-23)18(25)26-22(27-2,28-3)21(19,20)14-24/h4-12H,1-3H3,(H2,25,26)/t19-,20+,21-/m1/s1
SMILES: CC(C)[C@@H](C(=O)OC)NC(=O)N1C2=C(C=C(C=C2)C#CCNC(=O)N)[C@@]3(C1=O)[C@H]([C@@H]4C(=O)O[C@H]([C@H](N4[C@H]3C5=CC=CC=C5OCCO)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)NC8=CC=C(C=C8)N9CCOCC9
InChI: InChI=1S/C56H57N7O11/c1-34(2)45(51(66)71-3)60-55(70)62-42-25-20-35(13-12-26-58-54(57)69)33-41(42)56(53(62)68)44(50(65)59-38-21-23-39(24-22-38)61-27-30-72-31-28-61)47-52(67)74-48(37-16-8-5-9-17-37)46(36-14-6-4-7-15-36)63(47)49(56)40-18-10-11-19-43(40)73-32-29-64/h4-11,14-25,33-34,44-49,64H,26-32H2,1-3H3,(H,59,65)(H,60,70)(H3,57,58,69)/t44-,45+,46-,47-,48+,49+,56-/m1/s1
SMILES: CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1C2=CC=C(C=C2)OC)C(=O)OCC)C3=CC4=C(C=C3)OCC4
InChI: InChI=1S/C32H44N2O5/c1-5-8-17-33(18-9-6-2)29(35)22-34-21-27(24-12-15-28-25(20-24)16-19-39-28)30(32(36)38-7-3)31(34)23-10-13-26(37-4)14-11-23/h10-15,20,27,30-31H,5-9,16-19,21-22H2,1-4H3/t27-,30-,31+/m1/s1
SMILES: CCCCCCCCCCCC12O[C@@H]3[C@@H]4[C@H]5[C@](O5)([C@H]([C@]6([C@H]([C@@]4(O1)[C@@H](C[C@@]3(O2)C(=C)C)C)C=C(C6=O)C)O)O)CO
InChI: InChI=1S/C32H48O8/c1-6-7-8-9-10-11-12-13-14-15-30-38-25-23-26-29(18-33,37-26)27(35)31(36)22(16-20(4)24(31)34)32(23,40-30)21(5)17-28(25,39-30)19(2)3/h16,21-23,25-27,33,35-36H,2,6-15,17-18H2,1,3-5H3/t21-,22-,23-,25-,26+,27-,28-,29+,30?,31-,32+/m1/s1
SMILES: CC1=C2[C@H](C([C@@]3([C@H](C[C@@H]4[C@](C3C(C2(CC1O)C(C)(C)O)OC(=O)C)(CO4)OC(=O)C)OC(=O)C5=CC=CC=C5)C)O)O
InChI: InChI=1S/C31H40O11/c1-15-19(34)13-30(28(4,5)38)22(15)23(35)25(36)29(6)20(41-27(37)18-10-8-7-9-11-18)12-21-31(14-39-21,42-17(3)33)24(29)26(30)40-16(2)32/h7-11,19-21,23-26,34-36,38H,12-14H2,1-6H3/t19?,20-,21+,23+,24?,25?,26?,29+,30?,31-/m0/s1
SMILES: CC(C)(C)C1=C[C@@H]2[C@@H]3C=C/C(=C/C=C/C4=CC=CC=C4)/[C@@H]3[C@H]1C(=O)C2=O
InChI: InChI=1S/C24H24O2/c1-24(2,3)19-14-18-17-13-12-16(20(17)21(19)23(26)22(18)25)11-7-10-15-8-5-4-6-9-15/h4-14,17-18,20-21H,1-3H3/b10-7+,16-11-/t17-,18+,20-,21-/m0/s1
SMILES: CC(C)(C)OC(=O)N1CC[C@H]2CC(=O)[C@H]([C@H]3[C@]2(C1)C[C@@H]4N3CCCCCC4=O)CCC#CCCCC(=O)OC5=C(C(=C(C(=C5F)F)F)F)F
InChI: InChI=1S/C36H43F5N2O6/c1-35(2,3)49-34(47)42-17-15-21-18-25(45)22(33-36(21,20-42)19-23-24(44)13-9-7-11-16-43(23)33)12-8-5-4-6-10-14-26(46)48-32-30(40)28(38)27(37)29(39)31(32)41/h21-23,33H,6-20H2,1-3H3/t21-,22+,23-,33-,36-/m0/s1
SMILES: C1CO[C@@H]([C@H]([C@@H]1OC(=O)N2CCC(CC2)C(=O)NCC3=CC=CC(=C3)CN)OCC4=CC=CC=C4)COC(=O)N5CCC(CC5)C(=O)NCC6=CC=CC(=C6)CN
InChI: InChI=1S/C43H56N6O8/c44-24-31-8-4-10-33(22-31)26-46-40(50)35-12-17-48(18-13-35)42(52)56-29-38-39(55-28-30-6-2-1-3-7-30)37(16-21-54-38)57-43(53)49-19-14-36(15-20-49)41(51)47-27-34-11-5-9-32(23-34)25-45/h1-11,22-23,35-39H,12-21,24-29,44-45H2,(H,46,50)(H,47,51)/t37-,38-,39+/m1/s1
SMILES: C[C@@H](C(=O)NC(=O)[C@H](C)NC1[C@H]2[C@@H]1CN(C2)C3=C(C=C4C(=O)C(=CN(C4=N3)C5=C(C=C(C=C5)F)F)C(=O)O)F)N
InChI: InChI=1S/C26H25F3N6O5/c1-10(30)24(37)33-25(38)11(2)31-20-14-7-34(8-15(14)20)23-18(29)6-13-21(36)16(26(39)40)9-35(22(13)32-23)19-4-3-12(27)5-17(19)28/h3-6,9-11,14-15,20,31H,7-8,30H2,1-2H3,(H,39,40)(H,33,37,38)/t10-,11-,14-,15+,20?/m0/s1