EdisonScientific/glyph-datasets huggingface dataset:
SMILES: C1CC[C@@]2(C[C@@H]3CC[C@@H]([C@H]4[N+]3=C(N2)N[C@]5(C4)CCCCO5)O)OCC1
InChI: InChI=1S/C19H31N3O3/c23-16-7-6-14-12-18(8-2-1-4-10-24-18)20-17-21-19(9-3-5-11-25-19)13-15(16)22(14)17/h14-16,23H,1-13H2,(H,20,21)/p+1/t14-,15-,16-,18-,19+/m0/s1
SMILES: CCNC(=O)NC1=CC=C(C=C1)[C@H]2O[C@H]([C@H]([C@H](O2)C3=CC=C(C=C3)CO)C)CN4CCCCCCC4
InChI: InChI=1S/C29H41N3O4/c1-3-30-29(34)31-25-15-13-24(14-16-25)28-35-26(19-32-17-7-5-4-6-8-18-32)21(2)27(36-28)23-11-9-22(20-33)10-12-23/h9-16,21,26-28,33H,3-8,17-20H2,1-2H3,(H2,30,31,34)/t21-,26+,27+,28+/m1/s1
SMILES: CC1=C(C(=O)C[C@@H]2C1=CC[C@@H]3[C@]2(C(=O)C[C@]4([C@]3(C[C@H](C4[C@](C)(C(CC=C(C)C)O)O)O)C)C)C)OC5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
InChI: InChI=1S/C35H52O11/c1-16(2)8-11-24(39)35(7,44)30-21(38)13-32(4)23-10-9-18-17(3)29(46-31-28(43)27(42)26(41)22(15-36)45-31)20(37)12-19(18)34(23,6)25(40)14-33(30,32)5/h8-9,19,21-24,26-28,30-31,36,38-39,41-44H,10-15H2,1-7H3/t19-,21-,22-,23+,24?,26-,27+,28-,30?,31?,32+,33-,34+,35+/m1/s1
SMILES: C1=C2C(=CC(=C1Br)Cl)NC=C2OC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O
InChI: InChI=1S/C14H13BrClNO7/c15-5-1-4-7(2-6(5)16)17-3-8(4)23-14-11(20)9(18)10(19)12(24-14)13(21)22/h1-3,9-12,14,17-20H,(H,21,22)/t9-,10-,11+,12-,14?/m0/s1
SMILES: C1COC2(O1)[C@@H]3C=C[C@H]2[C@@H]4[C@H]3[C@H](C[C@@H]4O)O
InChI: InChI=1S/C12H16O4/c13-8-5-9(14)11-7-2-1-6(10(8)11)12(7)15-3-4-16-12/h1-2,6-11,13-14H,3-5H2/t6-,7+,8-,9-,10-,11+/m0/s1
SMILES: C1=CC=C(C=C1)C2=C(C(=O)[C@H]3C=CC=C[C@@H]3O2)OC(=O)C4=CN=CC=C4
InChI: InChI=1S/C21H15NO4/c23-18-16-10-4-5-11-17(16)25-19(14-7-2-1-3-8-14)20(18)26-21(24)15-9-6-12-22-13-15/h1-13,16-17H/t16-,17-/m0/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)CN2C(=O)C(=C(C(=N2)C)C)C#N
InChI: InChI=1S/C17H23N5O3/c1-10-6-4-5-7-14(10)19-17(25)20-15(23)9-22-16(24)13(8-18)11(2)12(3)21-22/h10,14H,4-7,9H2,1-3H3,(H2,19,20,23,25)/t10-,14-/m0/s1
SMILES: [3H]C(C1=C[C@H]2[C@H]3[C@](C3(C)C)([C@@H]([C@H]([C@@]2([C@@H]4C=C(C(=O)[C@]4(C1)O)C)O)C)OC(=O)CCC)O/C(=C/[N+]#N)/O)O
InChI: InChI=1S/C26H34N2O8/c1-6-7-18(30)35-22-14(3)25(34)16(20-23(4,5)26(20,22)36-19(31)11-28-27)9-15(12-29)10-24(33)17(25)8-13(2)21(24)32/h8-9,11,14,16-17,20,22,29,33-34H,6-7,10,12H2,1-5H3/p+1/b19-11+/t14-,16+,17-,20-,22-,24-,25-,26-/m1/s1/i12T/t12?,14-,16+,17-,20-,22-,24-,25-,26-
SMILES: CC(C)(C)OC(=O)[C@@H]1[C@H](NC(=S)NC1=C)C2=CC=CC=C2C(F)(F)F
InChI: InChI=1S/C17H19F3N2O2S/c1-9-12(14(23)24-16(2,3)4)13(22-15(25)21-9)10-7-5-6-8-11(10)17(18,19)20/h5-8,12-13H,1H2,2-4H3,(H2,21,22,25)/t12-,13+/m0/s1
SMILES: CC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3CC=C4[C@H]([C@H]3C2=O)C[C@H]5C(=O)N(C(=O)[C@]5([C@H]4C6=CC=C(C=C6)O)C)C7=CC=CC=C7
InChI: InChI=1S/C35H30N2O6/c1-19(38)20-8-12-23(13-9-20)36-31(40)26-17-16-25-27(29(26)33(36)42)18-28-32(41)37(22-6-4-3-5-7-22)34(43)35(28,2)30(25)21-10-14-24(39)15-11-21/h3-16,26-30,39H,17-18H2,1-2H3/t26-,27+,28-,29-,30-,35+/m0/s1
SMILES: C1C2C(C(S1)CCCCC(=O)NCCOCCOCCOC3=C(C=CC(=C3)C4(N=N4)C(F)(F)F)C(=O)N[C@@H]5[C@H]([C@H]([C@H](O[C@H]5O/C(=C\C6=CC=C(C=C6)O)/C(=O)O)CO)O)O)NC(=O)N2
InChI: InChI=1S/C40H49F3N6O14S/c41-40(42,43)39(48-49-39)22-7-10-24(35(55)46-32-34(54)33(53)28(19-50)63-37(32)62-27(36(56)57)17-21-5-8-23(51)9-6-21)26(18-22)61-16-15-60-14-13-59-12-11-44-30(52)4-2-1-3-29-31-25(20-64-29)45-38(58)47-31/h5-10,17-18,25,28-29,31-34,37,50-51,53-54H,1-4,11-16,19-20H2,(H,44,52)(H,46,55)(H,56,57)(H2,45,47,58)/b27-17-/t25?,28-,29?,31?,32-,33+,34-,37-/m1/s1
SMILES: CCCCCCCCCCCCCCCCOCC(CO)(CO)COCCOCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI: InChI=1S/C39H70O15/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-47-28-39(26-40,27-41)29-48-22-21-46-23-24-49-38-37(53-33(5)45)36(52-32(4)44)35(51-31(3)43)34(54-38)25-50-30(2)42/h34-38,40-41H,6-29H2,1-5H3/t34-,35-,36+,37+,38+/m1/s1
SMILES: C[C@]12CCC3C(=CC(=O)C(O3)C(C)(C)O)[C@@]1(CC[C@@H]4[C@@]2(C5=C(C4)C6=C(N5)C=CC7=C6C[C@@H]8C(C7=O)C(OC8(C)C)(C)C)C)O
InChI: InChI=1S/C37H47NO6/c1-32(2,41)31-25(39)17-22-26(43-31)12-13-35(7)36(8)18(11-14-37(22,35)42)15-21-27-20-16-23-28(34(5,6)44-33(23,3)4)29(40)19(20)9-10-24(27)38-30(21)36/h9-10,17-18,23,26,28,31,38,41-42H,11-16H2,1-8H3/t18-,23+,26?,28?,31?,35+,36+,37+/m0/s1
SMILES: C1C[C@@H]2[C@H](C=C1)[C@@H]3[C@H]2[C@H]4CC[C@@H]3C4
InChI: InChI=1S/C13H18/c1-2-4-11-10(3-1)12-8-5-6-9(7-8)13(11)12/h1,3,8-13H,2,4-7H2/t8-,9+,10+,11-,12-,13+/m1/s1
SMILES: C[C@H](C1=CC=CC=C1)N2C[C@@H]([C@H](C2=O)S(=O)(=O)C3=CC=CC=C3)C(C)C(=O)OC
InChI: InChI=1S/C22H25NO5S/c1-15(22(25)28-3)19-14-23(16(2)17-10-6-4-7-11-17)21(24)20(19)29(26,27)18-12-8-5-9-13-18/h4-13,15-16,19-20H,14H2,1-3H3/t15?,16-,19-,20-/m1/s1
SMILES: C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)/C=C\[C@H](CCC/C=C/C(=O)OCC2=CC=CC=C2)O)C(C)(C)C3=CC=CC=C3
InChI: InChI=1S/C33H42O5/c1-25-19-21-29(33(2,3)27-15-9-5-10-16-27)30(23-25)38-32(36)22-20-28(34)17-11-6-12-18-31(35)37-24-26-13-7-4-8-14-26/h4-5,7-10,12-16,18,20,22,25,28-30,34H,6,11,17,19,21,23-24H2,1-3H3/b18-12+,22-20-/t25-,28+,29-,30-/m1/s1
SMILES: COC1=CC(=C(C(=C1)OC)C2=NO[C@@H]([C@H]2C(=O)OC)C(=O)OC)OC
InChI: InChI=1S/C16H19NO8/c1-20-8-6-9(21-2)11(10(7-8)22-3)13-12(15(18)23-4)14(25-17-13)16(19)24-5/h6-7,12,14H,1-5H3/t12-,14-/m0/s1
SMILES: CC[C@@H]1[C@@]2(C3[C@H](C(=NCCN3C(=O)O2)[C@@H]([C@@H]([C@@H]([C@@H]([C@H](C(=O)CC(=O)O1)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)C)OC/C=C/C5=C6C(=CC=C5)N=CC=N6)C)C)C
InChI: InChI=1S/C42H59N5O9/c1-10-32-42(7)39-26(5)34(45-18-19-47(39)41(51)56-42)25(4)37(52-20-12-14-28-13-11-15-29-35(28)44-17-16-43-29)27(6)38(24(3)31(48)22-33(49)54-32)55-40-36(50)30(46(8)9)21-23(2)53-40/h11-17,23-27,30,32,36-40,50H,10,18-22H2,1-9H3/b14-12+/t23-,24+,25+,26+,27+,30+,32-,36-,37+,38-,39?,40+,42-/m1/s1
SMILES: COC1=CC=C(C=C1)NC(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@H]3OC(=O)NC4=CC=C(C=C4)OC
InChI: InChI=1S/C22H25N3O7/c1-28-15-7-3-13(4-8-15)23-21(26)25-17-11-30-20-18(12-31-19(17)20)32-22(27)24-14-5-9-16(29-2)10-6-14/h3-10,17-20H,11-12H2,1-2H3,(H,24,27)(H2,23,25,26)/t17-,18+,19+,20+/m0/s1
SMILES: CCOC(=O)C1=CC=C(C=C1)NC(=O)C[C@H]2C(=O)N[C@H]3CCCC[C@@H]3[NH2+]2
InChI: InChI=1S/C19H25N3O4/c1-2-26-19(25)12-7-9-13(10-8-12)20-17(23)11-16-18(24)22-15-6-4-3-5-14(15)21-16/h7-10,14-16,21H,2-6,11H2,1H3,(H,20,23)(H,22,24)/p+1/t14-,15-,16-/m0/s1
SMILES: CCCCC1=CC=C(C=C1)NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O
InChI: InChI=1S/C21H28N2O3/c1-2-3-6-15-9-11-16(12-10-15)22-19(24)13-14-23-20(25)17-7-4-5-8-18(17)21(23)26/h9-12,17-18H,2-8,13-14H2,1H3,(H,22,24)/t17-,18-/m1/s1
SMILES: CCOC(=O)C[C@@H]([C@@H]1[C@@H]([C@@H]2[C@H](O1)OC(O2)(C)C)OC)N(C)C
InChI: InChI=1S/C15H27NO6/c1-7-19-10(17)8-9(16(4)5)11-12(18-6)13-14(20-11)22-15(2,3)21-13/h9,11-14H,7-8H2,1-6H3/t9-,11+,12-,13+,14+/m0/s1
SMILES: CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H]2CCCN([C@@H]2C=C3[C@@H]1N(C4=CC=CC=C43)C(=O)OC)C(=O)OC
InChI: InChI=1S/C25H36N2O5Si/c1-25(2,3)33(6,7)32-22-17-12-10-14-26(23(28)30-4)20(17)15-18-16-11-8-9-13-19(16)27(21(18)22)24(29)31-5/h8-9,11,13,15,17,20-22H,10,12,14H2,1-7H3/t17-,20-,21+,22-/m1/s1
SMILES: C/C(=C\C1=CC=CC=C1)/C=N\N2[C@@H]([C@@H](C2=O)OCC3=CC=CC=C3)/C(=C/C4=CC=CC=C4)/C
InChI: InChI=1S/C29H28N2O2/c1-22(18-24-12-6-3-7-13-24)20-30-31-27(23(2)19-25-14-8-4-9-15-25)28(29(31)32)33-21-26-16-10-5-11-17-26/h3-20,27-28H,21H2,1-2H3/b22-18+,23-19+,30-20-/t27-,28+/m1/s1
SMILES: CC1=C(C[C@@H]([C@H](C1)C(=O)NC2=C(C=CC(=C2)OC)OC)C(=O)O)C
InChI: InChI=1S/C18H23NO5/c1-10-7-13(14(18(21)22)8-11(10)2)17(20)19-15-9-12(23-3)5-6-16(15)24-4/h5-6,9,13-14H,7-8H2,1-4H3,(H,19,20)(H,21,22)/t13-,14-/m0/s1
SMILES: CCCCCCCCCCCC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2CO)OC)N4)OC
InChI: InChI=1S/C25H38N2O5/c1-4-5-6-7-8-9-10-11-12-13-16-21(29)20-19(22(30)23(16)31-2)17(15-28)25(32-3)24-18(26-24)14-27(20)25/h17-18,24,26,28H,4-15H2,1-3H3/t17-,18+,24+,25-/m1/s1
SMILES: COC1([C@]2([C@@H]([C@H]([C@@]1(C(=C2Cl)Cl)Cl)CCO)CCO)Cl)OC
InChI: InChI=1S/C13H18Cl4O4/c1-20-13(21-2)11(16)7(3-5-18)8(4-6-19)12(13,17)10(15)9(11)14/h7-8,18-19H,3-6H2,1-2H3/t7-,8-,11-,12+/m1/s1
SMILES: CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3[C@@H]4[C@H]([C@@H](O3)N5C=CC(=O)NC5=O)N(C(=O)O4)OCC6=CC=CC=C6[N+](=O)[O-]
InChI: InChI=1S/C33H34N4O9Si/c1-33(2,3)47(23-13-6-4-7-14-23,24-15-8-5-9-16-24)44-21-26-29-28(30(45-26)35-19-18-27(38)34-31(35)39)36(32(40)46-29)43-20-22-12-10-11-17-25(22)37(41)42/h4-19,26,28-30H,20-21H2,1-3H3,(H,34,38,39)/t26-,28-,29-,30-/m1/s1
SMILES: C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)/C=C/C2=CC3=C(C=C2)OCO3
InChI: InChI=1S/C20H24N2O6/c1-13-4-2-3-5-15(13)21-20(25)22-18(23)11-26-19(24)9-7-14-6-8-16-17(10-14)28-12-27-16/h6-10,13,15H,2-5,11-12H2,1H3,(H2,21,22,23,25)/b9-7+/t13-,15-/m0/s1
SMILES: C[C@H]([C@]1(C[C@H]([C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)OC(=O)C)O)O
InChI: InChI=1S/C25H38O6/c1-14(26)25(29)13-21(31-16(3)28)22-19-7-6-17-12-18(30-15(2)27)8-10-23(17,4)20(19)9-11-24(22,25)5/h6,14,18-22,26,29H,7-13H2,1-5H3/t14-,18+,19-,20+,21-,22-,23+,24+,25+/m1/s1
SMILES: C1CC1C(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@H]3OC(=O)NC4=CC=CC=C4
InChI: InChI=1S/C17H20N2O5/c20-16(10-6-7-10)19-12-8-22-15-13(9-23-14(12)15)24-17(21)18-11-4-2-1-3-5-11/h1-5,10,12-15H,6-9H2,(H,18,21)(H,19,20)/t12-,13+,14+,15+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)C[C@@H](C(=O)OCC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5)OC(=O)C)OC(=O)C
InChI: InChI=1S/C34H35N5O11/c1-20(40)45-17-27-29(48-21(2)41)30(49-22(3)42)32(50-27)39-19-37-28-25(35-18-36-31(28)39)14-26(33(43)46-15-23-10-6-4-7-11-23)38-34(44)47-16-24-12-8-5-9-13-24/h4-13,18-19,26-27,29-30,32H,14-17H2,1-3H3,(H,38,44)/t26-,27+,29+,30+,32+/m0/s1
SMILES: C[C@H]1[C@@H]([C@@H]2[C@H]([C@H](O1)OC)OC(O2)(C)C)O
InChI: InChI=1S/C10H18O5/c1-5-6(11)7-8(9(12-4)13-5)15-10(2,3)14-7/h5-9,11H,1-4H3/t5-,6-,7+,8+,9-/m0/s1
SMILES: CC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2C[C@H]([C@H]4[C@]3(C[C@@H]([C@@H]4[C@](C)(C/C=C/C(C)(C)O)O)O)C)O)C)C
InChI: InChI=1S/C32H54O6/c1-19(33)38-24-12-15-29(6)22(28(24,4)5)11-16-30(7)23(29)17-20(34)25-26(21(35)18-31(25,30)8)32(9,37)14-10-13-27(2,3)36/h10,13,20-26,34-37H,11-12,14-18H2,1-9H3/b13-10+/t20-,21+,22+,23-,24+,25-,26+,29+,30-,31-,32+/m1/s1
SMILES: COC1=CC=C(C=C1)[C@@H]2[C@H](C(=O)NC3=C(S2)C=C(C=C3)OC)O
InChI: InChI=1S/C17H17NO4S/c1-21-11-5-3-10(4-6-11)16-15(19)17(20)18-13-8-7-12(22-2)9-14(13)23-16/h3-9,15-16,19H,1-2H3,(H,18,20)/t15-,16-/m1/s1
SMILES: C[C@H]1[C@H](O[C@H](O[C@H]1C2=CC=C(C=C2)CO)C3=CC=CC(=C3)C4=CC=CC(=C4)CNC(=O)[C@@H]5CCCN5C(=O)C(F)(F)F)CSC6=NC(=C(O6)C7=CC=CC=C7)C8=CC=CC=C8
InChI: InChI=1S/C48H44F3N3O6S/c1-30-40(29-61-47-53-41(33-12-4-2-5-13-33)43(60-47)34-14-6-3-7-15-34)58-45(59-42(30)35-22-20-31(28-55)21-23-35)38-18-9-17-37(26-38)36-16-8-11-32(25-36)27-52-44(56)39-19-10-24-54(39)46(57)48(49,50)51/h2-9,11-18,20-23,25-26,30,39-40,42,45,55H,10,19,24,27-29H2,1H3,(H,52,56)/t30-,39-,40+,42+,45+/m0/s1
SMILES: CC1=CC(=NO1)N2C(=O)[C@H]3[C@@H]4C[C@H]([C@H]3C2=O)C=C4
InChI: InChI=1S/C13H12N2O3/c1-6-4-9(14-18-6)15-12(16)10-7-2-3-8(5-7)11(10)13(15)17/h2-4,7-8,10-11H,5H2,1H3/t7-,8+,10-,11+
SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CCC(=O)NCC3=CC(=CC=C3)Cl
InChI: InChI=1S/C18H21ClN2O3/c19-13-5-3-4-12(10-13)11-20-16(22)8-9-21-17(23)14-6-1-2-7-15(14)18(21)24/h3-5,10,14-15H,1-2,6-9,11H2,(H,20,22)/t14-,15-/m0/s1
SMILES: C=C1[C@H]([C@H](NC(=O)N1)C2=CC=CC=C2[N+](=O)[O-])C(=O)C3=CC=CC=C3
InChI: InChI=1S/C18H15N3O4/c1-11-15(17(22)12-7-3-2-4-8-12)16(20-18(23)19-11)13-9-5-6-10-14(13)21(24)25/h2-10,15-16H,1H2,(H2,19,20,23)/t15-,16-/m1/s1
SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)OC(=O)NC2=CC=CC=C2)OC(=O)OCC=C)OC(=O)OCC=C
InChI: InChI=1S/C22H27NO11/c1-4-11-29-21(26)33-17-16(32-20(25)23-14-9-7-6-8-10-14)15(13-24)31-19(28-3)18(17)34-22(27)30-12-5-2/h4-10,15-19,24H,1-2,11-13H2,3H3,(H,23,25)/t15-,16-,17+,18-,19+/m1/s1
SMILES: C1CCC(C1)SC2=NN=NN2[C@H]3CO[C@H]4[C@@H]3OC[C@H]4OC(=O)NC5=CC=CC(=C5)C(F)(F)F
InChI: InChI=1S/C20H22F3N5O4S/c21-20(22,23)11-4-3-5-12(8-11)24-19(29)32-15-10-31-16-14(9-30-17(15)16)28-18(25-26-27-28)33-13-6-1-2-7-13/h3-5,8,13-17H,1-2,6-7,9-10H2,(H,24,29)/t14-,15+,16+,17+/m0/s1
SMILES: COC1=CC=C(C=C1)CO[C@H]2[C@@H]([C@H]([C@H](CO2)O)O)O
InChI: InChI=1S/C13H18O6/c1-17-9-4-2-8(3-5-9)6-18-13-12(16)11(15)10(14)7-19-13/h2-5,10-16H,6-7H2,1H3/t10-,11-,12+,13+/m0/s1
SMILES: CC1([C@@H]2C[C@H]([C@@H]([C@H]1C2)C/C=C/CCCC(=O)O)CNC(=O)C3=CC=C(S3)S(=O)(=O)N4C=CC=C4)C
InChI: InChI=1S/C26H34N2O5S2/c1-26(2)19-15-18(20(21(26)16-19)9-5-3-4-6-10-23(29)30)17-27-25(31)22-11-12-24(34-22)35(32,33)28-13-7-8-14-28/h3,5,7-8,11-14,18-21H,4,6,9-10,15-17H2,1-2H3,(H,27,31)(H,29,30)/b5-3+/t18-,19+,20-,21+/m0/s1
SMILES: C1CC2CCC1[C@@H]([C@@H]2C(=O)[O-])C(=O)NCC3=CC=C(C=C3)F
InChI: InChI=1S/C17H20FNO3/c18-13-7-1-10(2-8-13)9-19-16(20)14-11-3-5-12(6-4-11)15(14)17(21)22/h1-2,7-8,11-12,14-15H,3-6,9H2,(H,19,20)(H,21,22)/p-1/t11?,12?,14-,15+/m0/s1
SMILES: CC(C)OC(=O)[C@@H]1C[C@@](C(=O)[C@@H]([C@@H]1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC(C)C)(C)O
InChI: InChI=1S/C21H27NO8/c1-11(2)29-19(24)15-10-21(5,26)18(23)17(20(25)30-12(3)4)16(15)13-6-8-14(9-7-13)22(27)28/h6-9,11-12,15-17,26H,10H2,1-5H3/t15-,16-,17-,21-/m1/s1
SMILES: CCO[C@@H]1C[C@@]1(C#CC2=C(C(=O)C3=CC=CC=C32)C)C4=CC=CC=C4
InChI: InChI=1S/C23H20O2/c1-3-25-21-15-23(21,17-9-5-4-6-10-17)14-13-18-16(2)22(24)20-12-8-7-11-19(18)20/h4-12,21H,3,15H2,1-2H3/t21-,23+/m1/s1
SMILES: CSCC[C@H]1[C@@H]2[C@@H](C(=O)N(C2=O)CC3=CC=CC=C3)[C@@]4(N1)C5=CC=CC=C5N(C4=O)CC6=CC=CC7=CC=CC=C76
InChI: InChI=1S/C34H31N3O3S/c1-41-19-18-27-29-30(32(39)37(31(29)38)20-22-10-3-2-4-11-22)34(35-27)26-16-7-8-17-28(26)36(33(34)40)21-24-14-9-13-23-12-5-6-15-25(23)24/h2-17,27,29-30,35H,18-21H2,1H3/t27-,29+,30-,34-/m0/s1
SMILES: C1=CC=C(C=C1)CN2C(=O)[C@@H]3[C@H](N(O[C@@H]3C2=O)C4=CC=CC=C4)C5=CC=CO5
InChI: InChI=1S/C22H18N2O4/c25-21-18-19(17-12-7-13-27-17)24(16-10-5-2-6-11-16)28-20(18)22(26)23(21)14-15-8-3-1-4-9-15/h1-13,18-20H,14H2/t18-,19-,20+/m1/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)OP(=O)(O)O)O)O)O)O
InChI: InChI=1S/C12H23O14P/c13-1-3-5(15)7(17)9(19)11(23-3)25-12-10(26-27(20,21)22)8(18)6(16)4(2-14)24-12/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1
SMILES: C1[C@H]([C@@H]([C@H]([C@H](O1)S[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)OC3=CC=C(C=C3)[N+](=O)[O-])O)O)O
InChI: InChI=1S/C16H21NO10S/c18-9-5-26-16(14(22)11(9)19)28-10-6-25-15(13(21)12(10)20)27-8-3-1-7(2-4-8)17(23)24/h1-4,9-16,18-22H,5-6H2/t9-,10-,11+,12+,13-,14-,15+,16-/m1/s1
SMILES: CCN(CC)CC(=O)[C@@H]1[C@H](C(=O)N1[Si](C)(C)C(C)(C)C)CCO
InChI: InChI=1S/C17H34N2O3Si/c1-8-18(9-2)12-14(21)15-13(10-11-20)16(22)19(15)23(6,7)17(3,4)5/h13,15,20H,8-12H2,1-7H3/t13-,15+/m1/s1
SMILES: C[C@@H](C[C@H](C(C)(C)OCOC)O)[C@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3([C@H](C[C@@H](C4)OC(=O)OC)OC(=O)OC)C)C
InChI: InChI=1S/C34H54O9/c1-20(16-28(35)32(3,4)41-19-38-7)21(2)25-12-13-26-24-11-10-22-17-23(42-30(36)39-8)18-29(43-31(37)40-9)34(22,6)27(24)14-15-33(25,26)5/h10-11,20-21,23,25-29,35H,12-19H2,1-9H3/t20-,21-,23+,25+,26-,27-,28+,29-,33+,34-/m0/s1
SMILES: CN(C)CCOC1=CC=C(C=C1)C2=C(C3=C(N2)N=CN=C3NC[C@H]4CC[C@@H]4OC)C5=CC=CC=C5
InChI: InChI=1S/C28H33N5O2/c1-33(2)15-16-35-22-12-9-20(10-13-22)26-24(19-7-5-4-6-8-19)25-27(30-18-31-28(25)32-26)29-17-21-11-14-23(21)34-3/h4-10,12-13,18,21,23H,11,14-17H2,1-3H3,(H2,29,30,31,32)/t21-,23+/m1/s1
SMILES: CC1(CC[C@@H]([C@@]23[C@@H]1[C@@H](C(C45[C@H]2CCC([C@H]4O)C(=C)C5=O)(OC3)O)O)O)C
InChI: InChI=1S/C20H28O6/c1-9-10-4-5-11-18-8-26-20(25,19(11,14(9)22)15(10)23)16(24)13(18)17(2,3)7-6-12(18)21/h10-13,15-16,21,23-25H,1,4-8H2,2-3H3/t10?,11-,12-,13+,15+,16-,18-,19?,20?/m0/s1
SMILES: CC(=O)O[C@H]1[C@H]2CC(/C(=C/CC3(OCCO3)C)/[C@]2([C@@H]4[C@]1(C=CC(=O)C4)C)O)(C)C
InChI: InChI=1S/C23H32O6/c1-14(24)29-19-16-13-20(2,3)17(7-9-22(5)27-10-11-28-22)23(16,26)18-12-15(25)6-8-21(18,19)4/h6-8,16,18-19,26H,9-13H2,1-5H3/b17-7-/t16-,18+,19+,21-,23-/m1/s1
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](OC([C@@H]([C@H]4O)O)O)CO)CO)CO)O)O)O)O
InChI: InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21?,22+,23+,24+/m1/s1
SMILES: C1=C(C=C(C2(C1[N+](=O)[O-])O[C@@H]3[C@H](O[C@H]([C@@H]3O2)N4C=NC5=C(N=CN=C54)N)COP(=O)(O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChI: InChI=1S/C16H15N8O13P/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(35-15)3-34-38(31,32)33)36-16(37-12)8(23(27)28)1-6(22(25)26)2-9(16)24(29)30/h1-2,4-5,7-8,11-12,15H,3H2,(H2,17,18,19)(H2,31,32,33)/p-1/t7-,8?,11-,12-,15-,16?/m1/s1
SMILES: CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O
InChI: InChI=1S/C18H20N2O3S/c1-11-6-8-12(9-7-11)15-10-24-18(19-15)20-16(21)13-4-2-3-5-14(13)17(22)23/h6-10,13-14H,2-5H2,1H3,(H,22,23)(H,19,20,21)/t13-,14+/m1/s1
SMILES: CN(C)C(=O)C=CC1=CC=CC=C1C(=O)O[C@@H]2CC(=C[C@@H]3[C@H]2OC4(O3)CC5=CC=CC=C5C4)C(=O)NCCC(=O)NCCO
InChI: InChI=1S/C33H37N3O8/c1-36(2)29(39)12-11-21-7-5-6-10-25(21)32(41)42-26-17-24(31(40)35-14-13-28(38)34-15-16-37)18-27-30(26)44-33(43-27)19-22-8-3-4-9-23(22)20-33/h3-12,18,26-27,30,37H,13-17,19-20H2,1-2H3,(H,34,38)(H,35,40)/t26-,27-,30+/m1/s1
SMILES: CC(=O)[C@@H]1[C@H]2[C@@H]3[C@H]4[C@@H]1[C@]5(O[C@@H]2O[C@@H]3O[C@@H]4O5)C
InChI: InChI=1S/C12H14O5/c1-3(13)4-5-6-7-8(4)12(2)16-10(5)14-9(6)15-11(7)17-12/h4-11H,1-2H3/t4-,5+,6-,7+,8-,9-,10+,11-,12+/m1/s1
SMILES: CN1CC[C@]23[C@]1(CCC4=C2C(=C(C=C4)OC)OCOC)C[C@H](C5(C3)OCCO5)O
InChI: InChI=1S/C22H31NO6/c1-23-9-8-20-13-22(28-10-11-29-22)17(24)12-21(20,23)7-6-15-4-5-16(26-3)19(18(15)20)27-14-25-2/h4-5,17,24H,6-14H2,1-3H3/t17-,20-,21+/m1/s1
SMILES: CC(C)(CCCNC(=O)CCC(=O)OC)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC5=C(C=C4)OCO5
InChI: InChI=1S/C36H49N3O12S/c1-36(2,15-7-16-37-32(41)12-13-33(42)46-3)22-39(52(44,45)25-10-11-29-30(19-25)50-23-49-29)20-28(40)27(18-24-8-5-4-6-9-24)38-35(43)51-31-21-48-34-26(31)14-17-47-34/h4-6,8-11,19,26-28,31,34,40H,7,12-18,20-23H2,1-3H3,(H,37,41)(H,38,43)/t26-,27-,28+,31-,34+/m0/s1
SMILES: C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CC[C@](O3)(OO4)C)SC5=CC=C(C=C5)C(=O)OC)C
InChI: InChI=1S/C23H30O6S/c1-13-5-10-18-14(2)20(30-16-8-6-15(7-9-16)19(24)25-4)26-21-23(18)17(13)11-12-22(3,27-21)28-29-23/h6-9,13-14,17-18,20-21H,5,10-12H2,1-4H3/t13-,14-,17+,18+,20-,21-,22-,23-/m1/s1
SMILES: C[C@@H]([C@H](C(=O)N[C@@H](CCC(=O)OC(C)(C)C)CO)NC(=O)[C@]12C[C@@H]3[C@H]4[C@@H]([C@H]1ON([C@H]2C(=O)O3)CC5=CC=CC=C5C=COCCO)OC(O4)(C6CC6)C7CC7)O
InChI: InChI=1S/C40H55N3O13/c1-22(46)30(35(48)41-27(21-45)13-14-29(47)53-38(2,3)4)42-37(50)39-19-28-31-32(55-40(54-31,25-9-10-25)26-11-12-26)34(39)56-43(33(39)36(49)52-28)20-24-8-6-5-7-23(24)15-17-51-18-16-44/h5-8,15,17,22,25-28,30-34,44-46H,9-14,16,18-21H2,1-4H3,(H,41,48)(H,42,50)/t22-,27-,28+,30+,31-,32-,33-,34+,39-/m0/s1
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC=C4[C@@]3(CCC(=C4)P(=O)(O)O)C
InChI: InChI=1S/C19H29O4P/c1-18-9-7-13(24(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h3,11,14-17,20H,4-10H2,1-2H3,(H2,21,22,23)/t14-,15-,16-,17-,18-,19-/m0/s1
SMILES: C[C@H]1CCC[C@]2([C@@]13[C@@H](O3)[C@H]4[C@@H](C2)OC(=O)[C@H]4CN5CCN(CC5)CC6=CC=CC=C6)C
InChI: InChI=1S/C26H36N2O3/c1-18-7-6-10-25(2)15-21-22(23-26(18,25)31-23)20(24(29)30-21)17-28-13-11-27(12-14-28)16-19-8-4-3-5-9-19/h3-5,8-9,18,20-23H,6-7,10-17H2,1-2H3/t18-,20-,21+,22+,23-,25+,26-/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)Cl)Br)O
InChI: InChI=1S/C39H27BrCl3F3N4O6/c1-56-29-13-17(12-27(40)32(29)51)31-23-10-11-24-30(36(54)49(34(24)52)22-8-6-21(42)7-9-22)25(23)15-26-35(53)50(37(55)38(26,31)18-2-4-20(41)5-3-18)48-33-28(43)14-19(16-47-33)39(44,45)46/h2-10,12-14,16,24-26,30-31,51H,11,15H2,1H3,(H,47,48)/t24-,25+,26-,30-,31-,38+/m0/s1
SMILES: CC1(O[C@H]2CO[C@@H]([C@@H]([C@H]2O1)O[Si](C)(C)C(C)(C)C)OC)C
InChI: InChI=1S/C15H30O5Si/c1-14(2,3)21(7,8)20-12-11-10(9-17-13(12)16-6)18-15(4,5)19-11/h10-13H,9H2,1-8H3/t10-,11-,12+,13-/m0/s1
SMILES: C1[C@@H]([C@H]([C@H](C2=C1NC(=N2)N)C3=CN=C(N3)N)CNC(=O)C4=CC(=C(N4)Br)Br)CNC(=O)C5=CC(=C(N5)Br)Br
InChI: InChI=1S/C22H22Br4N10O2/c23-9-2-12(32-17(9)25)19(37)29-4-7-1-11-16(36-22(28)34-11)15(14-6-31-21(27)35-14)8(7)5-30-20(38)13-3-10(24)18(26)33-13/h2-3,6-8,15,32-33H,1,4-5H2,(H,29,37)(H,30,38)(H3,27,31,35)(H3,28,34,36)/t7-,8-,15+/m1/s1
SMILES: C[C@H](CCCC(C)(C)OCOC)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@](C3=C)(C)OCOC)OCOC)C
InChI: InChI=1S/C34H58O6/c1-25(12-10-18-32(3,4)39-23-36-8)30-16-17-31-27(13-11-19-33(30,31)5)14-15-28-20-29(38-22-35-7)21-34(6,26(28)2)40-24-37-9/h14-15,25,29-31H,2,10-13,16-24H2,1,3-9H3/b27-14+,28-15-/t25-,29-,30-,31+,33-,34+/m1/s1
SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=S)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
InChI: InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-30(23,31)27-29(21,22)26-28(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,31)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-,30?/m1/s1
SMILES: CC1(O[C@H]2C[C@H](CCC([C@@H]2O1)O)NC(=O)OCC3=CC=CC=C3)C
InChI: InChI=1S/C18H25NO5/c1-18(2)23-15-10-13(8-9-14(20)16(15)24-18)19-17(21)22-11-12-6-4-3-5-7-12/h3-7,13-16,20H,8-11H2,1-2H3,(H,19,21)/t13-,14?,15-,16-/m0/s1
SMILES: CCO[C@H]1[C@H](O[C@H]2[C@@H]1OC(O2)(C)C)[C@H]3COC(O3)(C)C
InChI: InChI=1S/C14H24O6/c1-6-15-10-9(8-7-16-13(2,3)18-8)17-12-11(10)19-14(4,5)20-12/h8-12H,6-7H2,1-5H3/t8-,9-,10+,11-,12-/m1/s1
SMILES: CC(=O)O[C@H]1[C@@H]([C@@H]([C@@H](C[C@@]1(COCC2=CC=CC=C2)OC(=O)C)O)O)OCC3=CC=CC=C3
InChI: InChI=1S/C25H30O8/c1-17(26)32-24-23(31-15-20-11-7-4-8-12-20)22(29)21(28)13-25(24,33-18(2)27)16-30-14-19-9-5-3-6-10-19/h3-12,21-24,28-29H,13-16H2,1-2H3/t21-,22-,23-,24+,25+/m1/s1
SMILES: C[C@H]1C[C@@]12[C@H](C(=O)[C@]3(C4=C(C(=O)C(=C3C2=O)O)C(C[C@@H](C4)OC(=O)C)(C)C)C)OC(=O)C
InChI: InChI=1S/C24H28O8/c1-10-8-24(10)19(29)16-18(28)17(27)15-14(7-13(31-11(2)25)9-22(15,4)5)23(16,6)20(30)21(24)32-12(3)26/h10,13,21,28H,7-9H2,1-6H3/t10-,13+,21-,23-,24+/m0/s1
SMILES: CC[C@H](C)C[C@H](C)/C=C/C(=O)O[C@@H]1[C@H]([C@]2(O[C@@H]([C@]([C@@]1(O2)C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)O)C(=O)OC(C)(C)C)CCC(=C)[C@H]([C@H](C)CC3=CC=CC=C3)OC(=O)C)O[Si](CC)(CC)CC
InChI: InChI=1S/C53H84O14Si/c1-19-34(5)32-35(6)28-29-40(55)61-43-42(66-68(20-2,21-3)22-4)51(31-30-36(7)41(60-38(9)54)37(8)33-39-26-24-23-25-27-39)62-44(45(56)63-48(10,11)12)52(59,46(57)64-49(13,14)15)53(43,67-51)47(58)65-50(16,17)18/h23-29,34-35,37,41-44,59H,7,19-22,30-33H2,1-6,8-18H3/b29-28+/t34-,35+,37+,41+,42+,43+,44+,51-,52+,53-/m0/s1
SMILES: COC1=CC=C(C=C1)N2C(=O)[C@H]3[C@H](C2=O)C4(C5=CC=CC=C5C3C6=CC=CC=C64)[N+](=O)[O-]
InChI: InChI=1S/C25H18N2O5/c1-32-15-12-10-14(11-13-15)26-23(28)21-20-16-6-2-4-8-18(16)25(27(30)31,22(21)24(26)29)19-9-5-3-7-17(19)20/h2-13,20-22H,1H3/t20?,21-,22-,25?/m1/s1
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)F)O
InChI: InChI=1S/C16H17FN2O7S/c1-9-2-4-10(5-3-9)27(23,24)25-8-13-12(20)6-14(26-13)19-7-11(17)15(21)18-16(19)22/h2-5,7,12-14,20H,6,8H2,1H3,(H,18,21,22)/t12-,13+,14+/m0/s1
SMILES: C[C@]12CC[C@@H]3[C@@H]([C@H]1CC[C@H]2C(=O)C[N+]4=CC=CC=C4)CC=C5[C@@]3(CC[C@@H](C5)O)C
InChI: InChI=1S/C26H36NO2/c1-25-12-10-19(28)16-18(25)6-7-20-21-8-9-23(26(21,2)13-11-22(20)25)24(29)17-27-14-4-3-5-15-27/h3-6,14-15,19-23,28H,7-13,16-17H2,1-2H3/q+1/t19-,20+,21+,22+,23-,25-,26-/m0/s1
SMILES: CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@](C3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)OC)O)C)OC(=O)C
InChI: InChI=1S/C47H51NO15/c1-25-30(61-42(55)35(51)34(27-16-10-7-11-17-27)48-40(53)28-18-12-8-13-19-28)23-47(57)39(62-41(54)29-20-14-9-15-21-29)37-45(5,38(52)36(60-26(2)49)33(25)44(47,3)4)31(50)22-32-46(37,24-59-32)63-43(56)58-6/h7-21,30-32,34-37,39,50-51,57H,22-24H2,1-6H3,(H,48,53)/t30-,31-,32+,34-,35+,36+,37?,39-,45+,46-,47+/m0/s1
SMILES: CCOC(=O)C1=NN[C@@H]2[C@H]1C(=O)N(C2=O)N(C)C3=C(C=C(C=N3)C(F)(F)F)Cl
InChI: InChI=1S/C15H13ClF3N5O4/c1-3-28-14(27)10-8-9(21-22-10)13(26)24(12(8)25)23(2)11-7(16)4-6(5-20-11)15(17,18)19/h4-5,8-9,21H,3H2,1-2H3/t8-,9-/m1/s1
SMILES: C1COCCN1CCCNC(=O)CC2=CC=C(C=C2)NC3=N[C@@H]4CS(=O)(=O)C[C@H]4S3
InChI: InChI=1S/C20H28N4O4S2/c25-19(21-6-1-7-24-8-10-28-11-9-24)12-15-2-4-16(5-3-15)22-20-23-17-13-30(26,27)14-18(17)29-20/h2-5,17-18H,1,6-14H2,(H,21,25)(H,22,23)/t17-,18-/m1/s1
SMILES: CC(C)OC1=CC=CC=C1[C@@H]2[C@H](CCC(=O)N2)[N+](=O)[O-]
InChI: InChI=1S/C14H18N2O4/c1-9(2)20-12-6-4-3-5-10(12)14-11(16(18)19)7-8-13(17)15-14/h3-6,9,11,14H,7-8H2,1-2H3,(H,15,17)/t11-,14+/m0/s1
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)N2C(=O)C3=CC=CC=C3C2=O)OC(=O)C)OC(=O)C
InChI: InChI=1S/C20H21NO10/c1-9(22)28-8-14-16(29-10(2)23)17(30-11(3)24)15(20(27)31-14)21-18(25)12-6-4-5-7-13(12)19(21)26/h4-7,14-17,20,27H,8H2,1-3H3/t14-,15-,16+,17-,20-/m1/s1