PDB_ID Component_ID InChI SMILES string 7BCE DMS InChI=1S/C2H6OS/c1-4(2)3/h1-2H3 CS(=O)C 7BCE LDV InChI=1S/C15H20N2/c1-12-6-8-17(9-7-12)11-13-10-16-15-5-3-2-4-14(13)15/h2-5,10,12,16H,6-9,11H2,1H3 CC1CCN(CC1)Cc2c[nH]c3c2cccc3 7BCE NAG InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O 8RXM CL InChI=1S/ClH/h1H/p-1 [Cl-] 8RXM MG InChI=1S/Mg/q+2 [Mg+2] 8RXM YNO InChI=1S/C18H16BrClN6O4S2/c1-29-16-14(26-5-10(24-25-26)17-23-13(20)7-31-17)15(28)11(6-27)30-18(16)32-12-2-8(19)4-22-9(12)3-21/h2,4-5,7,11,14-16,18,27-28H,6H2,1H3/t11-,14+,15+,16-,18-/m1/s1 CO[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1Sc2cc(cnc2C#N)Br)CO)O)n3cc(nn3)c4nc(cs4)Cl 8YY4 ADP InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N 8YY4 ALF InChI=1S/Al.4FH/h;4*1H/q+3;;;;/p-4 F[Al-](F)(F)F 8YY4 GDP InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N 8YY4 GTP InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N 8YY4 MG InChI=1S/Mg/q+2 [Mg+2] 8YY6 NAG InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O 9DKK NAG InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O 9DTH HEM InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-; Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O 9DTH O InChI=1S/H2O/h1H2 O 9DTI CL InChI=1S/ClH/h1H/p-1 [Cl-] 9DTI HEM InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-; Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O 9DTI PEG InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2 C(COCCO)O 9DVD BMA InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6-/m1/s1 C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O 9DVD NAG InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O 9DVS MG InChI=1S/Mg/q+2 [Mg+2] 9DVS ZN InChI=1S/Zn/q+2 [Zn+2] 9DVU MG InChI=1S/Mg/q+2 [Mg+2] 9DVU ZN InChI=1S/Zn/q+2 [Zn+2] 9DVY ADP InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N 9DVY ATP InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N 9DVY MG InChI=1S/Mg/q+2 [Mg+2] 9DW3 BO2 InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1 B([C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)c2cnccn2)(O)O 9E61 CPL InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/b16-14-,21-20-/t40-/m1/s1 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC 9E6I NNM InChI=1S/C40H69O4P/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-44-45(41,42)43/h40H,1,3-8,10-32H2,2,9H3,(H2,41,42,43)/t40-/m1/s1 C[C@H](CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)C)CCOP(=O)(O)O 9E6V CPL InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/b16-14-,21-20-/t40-/m1/s1 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC 9E6V MAN InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1 C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O 9E7A PEG InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2 C(COCCO)O 9E8A CA InChI=1S/Ca/q+2 [Ca+2] 9E8A MG InChI=1S/Mg/q+2 [Mg+2] 9E8A NAG InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O 9E8B CA InChI=1S/Ca/q+2 [Ca+2] 9E8B MG InChI=1S/Mg/q+2 [Mg+2] 9E8B NAG InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O 9E8C CA InChI=1S/Ca/q+2 [Ca+2] 9E8C MG InChI=1S/Mg/q+2 [Mg+2] 9E8C NAG InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O 9EVU CL InChI=1S/ClH/h1H/p-1 [Cl-] 9EVU EDO InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2 C(CO)O 9EVU NA InChI=1S/Na/q+1 [Na+] 9GVU GNP InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1 c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N 9GVU MG InChI=1S/Mg/q+2 [Mg+2] 9GWG A1IP1 InChI=1S/C33H30Cl2F3N3O6/c1-32(2,3)47-31(45)40-13-11-18(12-14-40)17-46-26-15-19(30(43)44)7-9-21(26)28-22-16-20(34)8-10-25(22)41(39-28)29(42)27-23(33(36,37)38)5-4-6-24(27)35/h4-10,15-16,18H,11-14,17H2,1-3H3,(H,43,44) CC(C)(C)OC(=O)N1CCC(CC1)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O 9GY2 CA InChI=1S/Ca/q+2 [Ca+2] 9GY5 ACT InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1 CC(=O)[O-] 9GY5 ZN InChI=1S/Zn/q+2 [Zn+2] 9GYE CA InChI=1S/Ca/q+2 [Ca+2] 9GYF PO4 InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3 [O-]P(=O)([O-])[O-] 9GYT ATP InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N 9GYT K InChI=1S/K/q+1 [K+] 9GYT MG InChI=1S/Mg/q+2 [Mg+2] 9GYT ZN InChI=1S/Zn/q+2 [Zn+2] 9GZ5 A1IRB InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h7-8H,2-6,9-11H2,1H3,(H,13,14)/b8-7+ CCCCCC/C=C/CCCC(=O)O 9GZ5 EDO InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2 C(CO)O 9GZ5 K InChI=1S/K/q+1 [K+] 9GZ5 ZN InChI=1S/Zn/q+2 [Zn+2] 9GZ7 A1IQ8 InChI=1S/C29H16Cl3F3N2O4/c30-17-7-4-15(5-8-17)14-41-24-12-16(28(39)40)6-10-19(24)26-20-13-18(31)9-11-23(20)37(36-26)27(38)25-21(29(33,34)35)2-1-3-22(25)32/h1-13H,14H2,(H,39,40) c1cc(c(c(c1)Cl)C(=O)n2c3ccc(cc3c(n2)c4ccc(cc4OCc5ccc(cc5)Cl)C(=O)O)Cl)C(F)(F)F 9GZ8 A1IQ7 InChI=1S/C30H19Cl2F3N2O4/c1-16(17-6-3-2-4-7-17)41-25-14-18(29(39)40)10-12-20(25)27-21-15-19(31)11-13-24(21)37(36-27)28(38)26-22(30(33,34)35)8-5-9-23(26)32/h2-16H,1H3,(H,39,40)/t16-/m0/s1 C[C@H](c1ccccc1)Oc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O 9GZ9 A1IQ6 InChI=1S/C29H15Cl4F3N2O4/c30-16-6-9-23-18(12-16)26(37-38(23)27(39)25-19(29(34,35)36)2-1-3-21(25)32)17-7-5-15(28(40)41)11-24(17)42-13-14-4-8-20(31)22(33)10-14/h1-12H,13H2,(H,40,41) c1cc(c(c(c1)Cl)C(=O)n2c3ccc(cc3c(n2)c4ccc(cc4OCc5ccc(c(c5)Cl)Cl)C(=O)O)Cl)C(F)(F)F 9GZA A1IQ5 InChI=1S/C29H23Cl2F3N2O4/c30-18-10-12-23-20(14-18)26(35-36(23)27(37)25-21(29(32,33)34)7-4-8-22(25)31)19-11-9-17(28(38)39)13-24(19)40-15-16-5-2-1-3-6-16/h4,7-14,16H,1-3,5-6,15H2,(H,38,39) c1cc(c(c(c1)Cl)C(=O)n2c3ccc(cc3c(n2)c4ccc(cc4OCC5CCCCC5)C(=O)O)Cl)C(F)(F)F 9GZB A1IQ4 InChI=1S/C31H21Cl2F3N2O6/c1-42-19-10-16(11-20(14-19)43-2)15-44-26-12-17(30(40)41)6-8-21(26)28-22-13-18(32)7-9-25(22)38(37-28)29(39)27-23(31(34,35)36)4-3-5-24(27)33/h3-14H,15H2,1-2H3,(H,40,41) COc1cc(cc(c1)OC)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O 9GZC A1IQ3 InChI=1S/C30H19Cl2F3N2O5/c1-41-19-5-2-4-16(12-19)15-42-25-13-17(29(39)40)8-10-20(25)27-21-14-18(31)9-11-24(21)37(36-27)28(38)26-22(30(33,34)35)6-3-7-23(26)32/h2-14H,15H2,1H3,(H,39,40) COc1cccc(c1)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O 9GZE A1IRD InChI=1S/C27H15Cl2F3N4O4/c28-15-6-8-20-17(12-15)24(35-36(20)25(37)23-18(27(30,31)32)3-1-4-19(23)29)16-7-5-14(26(38)39)11-21(16)40-13-22-33-9-2-10-34-22/h1-12H,13H2,(H,38,39) c1cc(c(c(c1)Cl)C(=O)n2c3ccc(cc3c(n2)c4ccc(cc4OCc5ncccn5)C(=O)O)Cl)C(F)(F)F 9GZF A1IQ2 InChI=1S/C27H19ClN2O5S/c28-20-12-14-24-23(16-20)26(29-30(24)36(33,34)21-9-5-2-6-10-21)22-13-11-19(27(31)32)15-25(22)35-17-18-7-3-1-4-8-18/h1-16H,17H2,(H,31,32) c1ccc(cc1)COc2cc(ccc2c3c4cc(ccc4n(n3)S(=O)(=O)c5ccccc5)Cl)C(=O)O 9GZG 2PE InChI=1S/C18H38O10/c19-1-3-21-5-7-23-9-11-25-13-15-27-17-18-28-16-14-26-12-10-24-8-6-22-4-2-20/h19-20H,1-18H2 C(COCCOCCOCCOCCOCCOCCOCCOCCO)O 9GZG MLA InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7) C(C(=O)O)C(=O)O 9GZG PGE InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2 C(COCCOCCO)O 9GZI A1IRA InChI=1S/C30H19Cl2F3N2O6S/c1-44(41,42)19-9-5-16(6-10-19)15-43-25-13-17(29(39)40)7-11-20(25)27-21-14-18(31)8-12-24(21)37(36-27)28(38)26-22(30(33,34)35)3-2-4-23(26)32/h2-14H,15H2,1H3,(H,39,40) CS(=O)(=O)c1ccc(cc1)COc2cc(ccc2c3c4cc(ccc4n(n3)C(=O)c5c(cccc5Cl)C(F)(F)F)Cl)C(=O)O 9GZU CL InChI=1S/ClH/h1H/p-1 [Cl-] 9GZU NA InChI=1S/Na/q+1 [Na+] 9GZV A1IRF InChI=1S/C23H24N6O/c1-28-12-10-17(11-13-28)29-23-20(22(24)25-15-26-23)21(27-29)16-6-5-9-19(14-16)30-18-7-3-2-4-8-18/h2-9,14-15,17H,10-13H2,1H3,(H2,24,25,26) CN1CCC(CC1)n2c3c(c(n2)c4cccc(c4)Oc5ccccc5)c(ncn3)N 9GZV ACY InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4) CC(=O)O 9GZV DMS InChI=1S/C2H6OS/c1-4(2)3/h1-2H3 CS(=O)C 9GZV MG InChI=1S/Mg/q+2 [Mg+2] 9GZV PEG InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2 C(COCCO)O 9H02 01K InChI=1S/C31H53N10O19P3S/c1-17(42)40-18(27(33)47)6-4-5-8-34-21(44)13-64-11-10-35-20(43)7-9-36-29(48)25(46)31(2,3)14-57-63(54,55)60-62(52,53)56-12-19-24(59-61(49,50)51)23(45)30(58-19)41-16-39-22-26(32)37-15-38-28(22)41/h15-16,18-19,23-25,30,45-46H,4-14H2,1-3H3,(H2,33,47)(H,34,44)(H,35,43)(H,36,48)(H,40,42)(H,52,53)(H,54,55)(H2,32,37,38)(H2,49,50,51)/t18-,19-,23-,24-,25+,30-/m1/s1 CC(=O)N[C@H](CCCCNC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)C(=O)N 9H02 EDO InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2 C(CO)O 9H03 CA InChI=1S/Ca/q+2 [Ca+2] 9H03 DUC InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8) C1CNC(=O)NC1=O 9H0A A1IRI InChI=1S/C19H26N6O2S/c1-12(2)14-5-4-13(16(22-14)27-3)15-10-21-17-25(15)23-18(28-17)24-8-6-19(26,11-20)7-9-24/h4-5,10,12,26H,6-9,11,20H2,1-3H3 CC(C)c1ccc(c(n1)OC)c2cnc3n2nc(s3)N4CCC(CC4)(CN)O 9H0A CL InChI=1S/ClH/h1H/p-1 [Cl-] 9HGP DMS InChI=1S/C2H6OS/c1-4(2)3/h1-2H3 CS(=O)C 9HGP TRS InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2/p+1 C(C(CO)(CO)[NH3+])O 9HGP ZN InChI=1S/Zn/q+2 [Zn+2] 9HVX A1IYH InChI=1S/C28H23FN6O3/c29-18-12-17-15-34(28(38)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)25(17)33)23-24(27(37)31-26(23)36)21-14-30-22-6-2-5-9-35(21)22/h2,5-6,9-14,16H,1,3-4,7-8,15H2,(H,31,36,37) c1ccn2c(c1)ncc2C3=C(C(=O)NC3=O)c4cn5c6c4cc(cc6CN(C=C5)C(=O)N7CCCCC7)F 9HVX MG InChI=1S/Mg/q+2 [Mg+2] 9I1Q NAG InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O 9I1Q SCN InChI=1S/CHNS/c2-1-3/h3H/p-1 C(#N)[S-] 9I92 A1I1D InChI=1S/C12H18Cl3N3O3/c13-7-10(19)16-1-2-17(11(20)8-14)5-6-18(4-3-16)12(21)9-15/h1-9H2 C1CN(CCN(CCN1C(=O)CCl)C(=O)CCl)C(=O)CCl 9I92 LMT InChI=1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-23-21(31)19(29)22(16(14-26)34-23)35-24-20(30)18(28)17(27)15(13-25)33-24/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24-/m1/s1 CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O 9I93 KZ0 InChI=1S/C6H6Cl3N3/c7-1-4-10-5(2-8)12-6(3-9)11-4/h1-3H2 C(c1nc(nc(n1)CCl)CCl)Cl 9I93 LMT InChI=1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-23-21(31)19(29)22(16(14-26)34-23)35-24-20(30)18(28)17(27)15(13-25)33-24/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24-/m1/s1 CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O 9I94 KZ0 InChI=1S/C6H6Cl3N3/c7-1-4-10-5(2-8)12-6(3-9)11-4/h1-3H2 C(c1nc(nc(n1)CCl)CCl)Cl 9I94 LMT InChI=1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-23-21(31)19(29)22(16(14-26)34-23)35-24-20(30)18(28)17(27)15(13-25)33-24/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24-/m1/s1 CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O 9I95 A1I1E InChI=1S/C14H18Cl3N3O3/c15-1-10(21)18-4-13-6-19(11(22)2-16)7-14(13,5-18)9-20(8-13)12(23)3-17/h1-9H2/t13-,14+ C1C23CN(CC2(CN1C(=O)CCl)CN(C3)C(=O)CCl)C(=O)CCl 9I95 LMT InChI=1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-23-21(31)19(29)22(16(14-26)34-23)35-24-20(30)18(28)17(27)15(13-25)33-24/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24-/m1/s1 CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O 9I96 LMT InChI=1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-23-21(31)19(29)22(16(14-26)34-23)35-24-20(30)18(28)17(27)15(13-25)33-24/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24-/m1/s1 CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O 9I96 R06 InChI=1S/C9H12Cl3N3O3/c10-1-7(16)13-4-14(8(17)2-11)6-15(5-13)9(18)3-12/h1-6H2 C1N(CN(CN1C(=O)CCl)C(=O)CCl)C(=O)CCl 9I97 A1I1D InChI=1S/C12H18Cl3N3O3/c13-7-10(19)16-1-2-17(11(20)8-14)5-6-18(4-3-16)12(21)9-15/h1-9H2 C1CN(CCN(CCN1C(=O)CCl)C(=O)CCl)C(=O)CCl 9I97 LMT InChI=1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-23-21(31)19(29)22(16(14-26)34-23)35-24-20(30)18(28)17(27)15(13-25)33-24/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24-/m1/s1 CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O 9I98 LMT InChI=1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-23-21(31)19(29)22(16(14-26)34-23)35-24-20(30)18(28)17(27)15(13-25)33-24/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24-/m1/s1 CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O 9I98 R06 InChI=1S/C9H12Cl3N3O3/c10-1-7(16)13-4-14(8(17)2-11)6-15(5-13)9(18)3-12/h1-6H2 C1N(CN(CN1C(=O)CCl)C(=O)CCl)C(=O)CCl 9I9I ADP InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N 9I9I MG InChI=1S/Mg/q+2 [Mg+2] 9I9J ADP InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N 9I9J MG InChI=1S/Mg/q+2 [Mg+2] 9I9K ADP InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N 9I9K MG InChI=1S/Mg/q+2 [Mg+2] 9IHO 3PE InChI=1S/C41H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39H,3-38,42H2,1-2H3,(H,45,46)/t39-/m1/s1 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC 9IHO CDL InChI=1S/C81H158O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h75-77,82H,5-74H2,1-4H3,(H,87,88)(H,89,90)/p-2/t76-,77-/m1/s1 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC 9IHO EHZ InChI=1S/C25H49N2O9PS/c1-4-5-6-7-8-9-10-11-12-13-20(28)18-22(30)38-17-16-26-21(29)14-15-27-24(32)23(31)25(2,3)19-36-37(33,34)35/h20,23,28,31H,4-19H2,1-3H3,(H,26,29)(H,27,32)(H2,33,34,35)/t20-,23-/m0/s1 CCCCCCCCCCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O)O 9IHO K InChI=1S/K/q+1 [K+] 9IHO NDP InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N 9IHO PLC InChI=1S/C32H64NO8P/c1-6-8-10-12-14-16-18-20-22-24-31(34)38-28-30(29-40-42(36,37)39-27-26-33(3,4)5)41-32(35)25-23-21-19-17-15-13-11-9-7-2/h30H,6-29H2,1-5H3/p+1/t30-/m1/s1 CCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC 9IHO SF4 InChI=1S/4Fe.4S [S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45 9IHO ZN InChI=1S/Zn/q+2 [Zn+2] 9IHP 3PE InChI=1S/C41H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39H,3-38,42H2,1-2H3,(H,45,46)/t39-/m1/s1 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC 9IHP CDL InChI=1S/C81H158O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h75-77,82H,5-74H2,1-4H3,(H,87,88)(H,89,90)/p-2/t76-,77-/m1/s1 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC 9IHP EHZ InChI=1S/C25H49N2O9PS/c1-4-5-6-7-8-9-10-11-12-13-20(28)18-22(30)38-17-16-26-21(29)14-15-27-24(32)23(31)25(2,3)19-36-37(33,34)35/h20,23,28,31H,4-19H2,1-3H3,(H,26,29)(H,27,32)(H2,33,34,35)/t20-,23-/m0/s1 CCCCCCCCCCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O)O 9IHP FES InChI=1S/2Fe.2S S1[Fe]S[Fe]1 9IHP FMN InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1 Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O 9IHP K InChI=1S/K/q+1 [K+] 9IHP NDP InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N 9IHP PLC InChI=1S/C32H64NO8P/c1-6-8-10-12-14-16-18-20-22-24-31(34)38-28-30(29-40-42(36,37)39-27-26-33(3,4)5)41-32(35)25-23-21-19-17-15-13-11-9-7-2/h30H,6-29H2,1-5H3/p+1/t30-/m1/s1 CCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC 9IHP SF4 InChI=1S/4Fe.4S [S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45 9IHP ZN InChI=1S/Zn/q+2 [Zn+2] 9IHQ 3PE InChI=1S/C41H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39H,3-38,42H2,1-2H3,(H,45,46)/t39-/m1/s1 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC 9IHQ CDL InChI=1S/C81H158O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h75-77,82H,5-74H2,1-4H3,(H,87,88)(H,89,90)/p-2/t76-,77-/m1/s1 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC 9IHQ EHZ InChI=1S/C25H49N2O9PS/c1-4-5-6-7-8-9-10-11-12-13-20(28)18-22(30)38-17-16-26-21(29)14-15-27-24(32)23(31)25(2,3)19-36-37(33,34)35/h20,23,28,31H,4-19H2,1-3H3,(H,26,29)(H,27,32)(H2,33,34,35)/t20-,23-/m0/s1 CCCCCCCCCCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O)O 9IHQ FES InChI=1S/2Fe.2S S1[Fe]S[Fe]1 9IHQ K InChI=1S/K/q+1 [K+] 9IHQ NDP InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N 9IHQ PLC InChI=1S/C32H64NO8P/c1-6-8-10-12-14-16-18-20-22-24-31(34)38-28-30(29-40-42(36,37)39-27-26-33(3,4)5)41-32(35)25-23-21-19-17-15-13-11-9-7-2/h30H,6-29H2,1-5H3/p+1/t30-/m1/s1 CCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC 9IHQ SF4 InChI=1S/4Fe.4S [S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45 9IHQ ZN InChI=1S/Zn/q+2 [Zn+2] 9IHR 3PE InChI=1S/C41H82NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39H,3-38,42H2,1-2H3,(H,45,46)/t39-/m1/s1 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC 9IHR CDL InChI=1S/C81H158O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h75-77,82H,5-74H2,1-4H3,(H,87,88)(H,89,90)/p-2/t76-,77-/m1/s1 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(COP(=O)([O-])OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC 9IHR EHZ InChI=1S/C25H49N2O9PS/c1-4-5-6-7-8-9-10-11-12-13-20(28)18-22(30)38-17-16-26-21(29)14-15-27-24(32)23(31)25(2,3)19-36-37(33,34)35/h20,23,28,31H,4-19H2,1-3H3,(H,26,29)(H,27,32)(H2,33,34,35)/t20-,23-/m0/s1 CCCCCCCCCCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O)O 9IHR FES InChI=1S/2Fe.2S S1[Fe]S[Fe]1 9IHR FMN InChI=1S/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,12+,14-/m0/s1 Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O 9IHR K InChI=1S/K/q+1 [K+] 9IHR NDP InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N 9IHR PLC InChI=1S/C32H64NO8P/c1-6-8-10-12-14-16-18-20-22-24-31(34)38-28-30(29-40-42(36,37)39-27-26-33(3,4)5)41-32(35)25-23-21-19-17-15-13-11-9-7-2/h30H,6-29H2,1-5H3/p+1/t30-/m1/s1 CCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC 9IHR SF4 InChI=1S/4Fe.4S [S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45 9IHR ZN InChI=1S/Zn/q+2 [Zn+2] 9JTZ 44E InChI=1S/C15H29O8P/c1-3-5-7-9-14(16)21-11-13(12-22-24(18,19)20)23-15(17)10-8-6-4-2/h13H,3-12H2,1-2H3,(H2,18,19,20)/t13-/m1/s1 CCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCC 9JTZ CA InChI=1S/Ca/q+2 [Ca+2] 9JTZ DW3 InChI=1S/C2H4O2/c3-1-2-4/h1,4H,2H2 C(C=O)O 9JUI ZN InChI=1S/Zn/q+2 [Zn+2] 9JVT ADP InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N 9JVT CA InChI=1S/Ca/q+2 [Ca+2] 9JW0 ATP InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N 9JW0 CA InChI=1S/Ca/q+2 [Ca+2] 9JW6 A1EDL InChI=1S/C23H16ClN3O4/c24-16-4-1-3-14(12-5-6-12)18(16)20(29)22-26-19(21-25-9-2-10-27(21)22)13-7-8-15(23(30)31)17(28)11-13/h1-4,7-12,28H,5-6H2,(H,30,31) c1cc(c(c(c1)Cl)C(=O)c2nc(c3n2cccn3)c4ccc(c(c4)O)C(=O)O)C5CC5 9JW6 A1EER InChI=1S/C33H64O16P2/c1-3-5-7-9-11-13-15-17-19-21-26(34)45-23-25(47-27(35)22-20-18-16-14-12-10-8-6-4-2)24-46-51(43,44)49-33-30(38)28(36)32(29(37)31(33)39)48-50(40,41)42/h25,28-33,36-39H,3-24H2,1-2H3,(H,43,44)(H2,40,41,42)/t25-,28-,29+,30-,31-,32-,33+/m1/s1 CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCCCCCC 9JW8 IOD InChI=1S/HI/h1H/p-1 [I-] 9JWJ A1L4X InChI=1S/C26H21N5O4S/c27-22-13-12-20(25-7-4-14-35-25)15-23(22)28-26(32)19-10-8-18(9-11-19)24-16-31(30-29-24)17-36(33,34)21-5-2-1-3-6-21/h1-16H,17,27H2,(H,28,32) c1ccc(cc1)S(=O)(=O)Cn2cc(nn2)c3ccc(cc3)C(=O)Nc4cc(ccc4N)c5ccco5 9JWJ CA InChI=1S/Ca/q+2 [Ca+2] 9JWJ EDO InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2 C(CO)O 9JWJ PEG InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2 C(COCCO)O 9JWJ PG4 InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2 C(COCCOCCOCCO)O 9JWJ PGE InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2 C(COCCOCCO)O 9JWJ ZN InChI=1S/Zn/q+2 [Zn+2] 9JWL ALL InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6-/m1/s1 C([C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O)O 9JWO CIT InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) C(C(=O)O)C(CC(=O)O)(C(=O)O)O 9JWT ALL InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6-/m1/s1 C([C@@H]1[C@H]([C@H]([C@H]([C@@H](O1)O)O)O)O)O 9JXV PC1 InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/t42-/m1/s1 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC 9JYS A1ED1 InChI=1S/C9H14N2/c1-11(2)9-5-3-8(7-10)4-6-9/h3-6H,7,10H2,1-2H3 CN(C)c1ccc(cc1)CN 9JYS PE8 InChI=1S/C16H34O9/c17-1-3-19-5-7-21-9-11-23-13-15-25-16-14-24-12-10-22-8-6-20-4-2-18/h17-18H,1-16H2 C(COCCOCCOCCOCCOCCOCCOCCO)O 9JYX PO4 InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3 [O-]P(=O)([O-])[O-] 9JZ1 CA InChI=1S/Ca/q+2 [Ca+2] 9JZ1 PO4 InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3 [O-]P(=O)([O-])[O-] 9JZP PEG InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2 C(COCCO)O 9JZT ZN InChI=1S/Zn/q+2 [Zn+2] 9JZX AMP InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N 9JZY CL InChI=1S/ClH/h1H/p-1 [Cl-] 9JZY ZN InChI=1S/Zn/q+2 [Zn+2] 9JZZ AMP InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N 9JZZ CL InChI=1S/ClH/h1H/p-1 [Cl-] 9JZZ ZN InChI=1S/Zn/q+2 [Zn+2] 9K01 ADP InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N 9K02 ADP InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N 9K02 MG InChI=1S/Mg/q+2 [Mg+2] 9K03 ANP InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N 9K03 K InChI=1S/K/q+1 [K+] 9K03 MN InChI=1S/Mn/q+2 [Mn+2] 9K04 ADP InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N 9K04 K InChI=1S/K/q+1 [K+] 9K04 MN InChI=1S/Mn/q+2 [Mn+2] 9K04 PO4 InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3 [O-]P(=O)([O-])[O-] 9K05 AMP InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N 9K05 FGR InChI=1S/C8H15N2O9P/c11-3-9-1-5(12)10-8-7(14)6(13)4(19-8)2-18-20(15,16)17/h3-4,6-8,13-14H,1-2H2,(H,9,11)(H,10,12)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1 C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CNC=O)O)O)OP(=O)(O)O 9K06 FLC InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3 C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O 9K0G A1L47 InChI=1S/C22H19N5O3S/c23-19-8-4-5-9-20(19)24-22(28)17-12-10-16(11-13-17)21-14-27(26-25-21)15-31(29,30)18-6-2-1-3-7-18/h1-14H,15,23H2,(H,24,28) c1ccc(cc1)S(=O)(=O)Cn2cc(nn2)c3ccc(cc3)C(=O)Nc4ccccc4N 9K0G CA InChI=1S/Ca/q+2 [Ca+2] 9K0G EDO InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2 C(CO)O 9K0G PEG InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2 C(COCCO)O 9K0G PG4 InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2 C(COCCOCCOCCO)O 9K0G PGE InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2 C(COCCOCCO)O 9K0G ZN InChI=1S/Zn/q+2 [Zn+2] 9KB6 NAG InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O 9KB8 NAG InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O 9KB9 NAG InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O 9KMR ADP InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N 9KOX ADP InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N 9KQN ADP InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N 9KVX MN InChI=1S/Mn/q+2 [Mn+2] 9KVY MN InChI=1S/Mn/q+2 [Mn+2] 9L0N CA InChI=1S/Ca/q+2 [Ca+2] 9L5X EDO InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2 C(CO)O 9L5X NAD InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N 9L5X TCL InChI=1S/C12H7Cl3O2/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16/h1-6,16H c1cc(c(cc1Cl)O)Oc2ccc(cc2Cl)Cl 9LJX A1EKB InChI=1S/C17H15F2N3O2S/c18-11-5-4-8-14-15(11)17(21-25(14,23)24)20-13-7-3-6-12(19)16(13)22-9-1-2-10-22/h3-8H,1-2,9-10H2,(H,20,21) c1cc(c(c(c1)F)N2CCCC2)NC3=NS(=O)(=O)c4c3c(ccc4)F 9LJY A1EJ9 InChI=1S/C17H16ClN3O2S/c18-12-6-5-9-15-16(12)17(20-24(15,22)23)19-13-7-1-2-8-14(13)21-10-3-4-11-21/h1-2,5-9H,3-4,10-11H2,(H,19,20) c1ccc(c(c1)NC2=NS(=O)(=O)c3c2c(ccc3)Cl)N4CCCC4 9LOH A1EJ8 InChI=1S/C17H16FN3O2S/c18-12-6-5-9-15-16(12)17(20-24(15,22)23)19-13-7-1-2-8-14(13)21-10-3-4-11-21/h1-2,5-9H,3-4,10-11H2,(H,19,20) c1ccc(c(c1)NC2=NS(=O)(=O)c3c2c(ccc3)F)N4CCCC4 9LOI A1EKA InChI=1S/C17H16ClN3O2S/c18-12-7-8-13-16(11-12)24(22,23)20-17(13)19-14-5-1-2-6-15(14)21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10H2,(H,19,20) c1ccc(c(c1)NC2=NS(=O)(=O)c3c2ccc(c3)Cl)N4CCCC4 9LRA NAG InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O 9LRF NAG InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O 9LRH NAG InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O 9M0O ACT InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1 CC(=O)[O-] 9M0O GTP InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N 9M0O MG InChI=1S/Mg/q+2 [Mg+2] 9N07 ADP InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N 9N07 BEF InChI=1S/Be.3FH/h;3*1H/q+2;;;/p-3 [Be-](F)(F)F 9N07 MG InChI=1S/Mg/q+2 [Mg+2] 9N07 ZN InChI=1S/Zn/q+2 [Zn+2] 9N11 MG InChI=1S/Mg/q+2 [Mg+2] 9N11 ZN InChI=1S/Zn/q+2 [Zn+2] 9N7K EDO InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2 C(CO)O 9NTQ NAG InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O 9O0U 324 InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22) CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)Cl)F 9O0U ANP InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N 9O0U CHU InChI=1S/C21H18FN5O5S/c1-12-15-5-4-14(31-21-25-7-3-8-26-21)11-17(15)32-20(28)16(12)10-13-6-9-24-19(18(13)22)27-33(29,30)23-2/h3-9,11,23H,10H2,1-2H3,(H,24,27) CC1=C(C(=O)Oc2c1ccc(c2)Oc3ncccn3)Cc4ccnc(c4F)NS(=O)(=O)NC 9O0V 324 InChI=1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22) CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)c2c[nH]c3c2cc(cn3)Cl)F 9O0V ANP InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N 9O0V CHU InChI=1S/C21H18FN5O5S/c1-12-15-5-4-14(31-21-25-7-3-8-26-21)11-17(15)32-20(28)16(12)10-13-6-9-24-19(18(13)22)27-33(29,30)23-2/h3-9,11,23H,10H2,1-2H3,(H,24,27) CC1=C(C(=O)Oc2c1ccc(c2)Oc3ncccn3)Cc4ccnc(c4F)NS(=O)(=O)NC 9O9Y ADP InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N 9O9Y MG InChI=1S/Mg/q+2 [Mg+2] 9O9Y UNL 9O9Y VO4 InChI=1S/4O.V/q;3*-1; [O-][V](=O)([O-])[O-] 9OOZ CL InChI=1S/ClH/h1H/p-1 [Cl-] 9OOZ PQQ InChI=1S/C14H6N2O8/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18/h1-2,15H,(H,19,20)(H,21,22)(H,23,24) c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O 9OZ5 CL InChI=1S/ClH/h1H/p-1 [Cl-] 9OZW CA InChI=1S/Ca/q+2 [Ca+2] 9OZY CA InChI=1S/Ca/q+2 [Ca+2] 9OZY DMS InChI=1S/C2H6OS/c1-4(2)3/h1-2H3 CS(=O)C 9OZY LYS InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1/t5-/m0/s1 C(CC[NH3+])C[C@@H](C(=O)O)N 9OZY VAL InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1 CC(C)[C@@H](C(=O)O)N 9OZY ZN InChI=1S/Zn/q+2 [Zn+2] 9PRR FE2 InChI=1S/Fe/q+2 [Fe+2] 9PRR ILE InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1 CC[C@H](C)[C@@H](C(=O)O)N 9PRR ZN InChI=1S/Zn/q+2 [Zn+2] 9Q03 A1CM7 InChI=1S/C36H43ClN10O4/c1-36(2,51)14-17-47-29-18-21(6-10-27(29)44(4)35(47)50)39-32-26(37)20-38-34(41-32)43(3)22-12-15-46(16-13-22)23-7-8-24-28(19-23)45(5)42-31(24)25-9-11-30(48)40-33(25)49/h6-8,10,18-20,22,25,51H,9,11-17H2,1-5H3,(H,38,39,41)(H,40,48,49)/t25-/m1/s1 CC(C)(CCN1c2cc(ccc2N(C1=O)C)Nc3c(cnc(n3)N(C)C4CCN(CC4)c5ccc6c(c5)n(nc6[C@H]7CCC(=O)NC7=O)C)Cl)O 9Q03 ZN InChI=1S/Zn/q+2 [Zn+2] 9Q8N A1I4O InChI=1S/C9H18Cl3N3O6S3/c10-1-4-22(16,17)13-7-14(23(18,19)5-2-11)9-15(8-13)24(20,21)6-3-12/h1-9H2 C1N(CN(CN1S(=O)(=O)CCCl)S(=O)(=O)CCCl)S(=O)(=O)CCCl 9Q8N LMT InChI=1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-23-21(31)19(29)22(16(14-26)34-23)35-24-20(30)18(28)17(27)15(13-25)33-24/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24-/m1/s1 CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O 9Q8N PLM InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18) CCCCCCCCCCCCCCCC(=O)O 9Q8N Z41 InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m0/s1 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCC 9QCV ANP InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N 9QCV MG InChI=1S/Mg/q+2 [Mg+2] 9QE3 CA InChI=1S/Ca/q+2 [Ca+2] 9QE3 HEM InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-; Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O 9QE3 NAG InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O 9QE3 SEK InChI=1S/CHNSe/c2-1-3/h3H/p-1 C(#N)[Se-] 9QEX CA InChI=1S/Ca/q+2 [Ca+2] 9QEX HEM InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-; Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O 9QEX NAG InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O 9QEX SCN InChI=1S/CHNS/c2-1-3/h3H/p-1 C(#N)[S-] 9QGA BR InChI=1S/BrH/h1H/p-1 [Br-] 9QGA CA InChI=1S/Ca/q+2 [Ca+2] 9QGA HEM InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-; Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O 9QGA NAG InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O 9QJ3 CA InChI=1S/Ca/q+2 [Ca+2] 9QJ3 HEM InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-; Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O 9QJ3 IOD InChI=1S/HI/h1H/p-1 [I-] 9QJO BR InChI=1S/BrH/h1H/p-1 [Br-] 9QJO CA InChI=1S/Ca/q+2 [Ca+2] 9QJO HEM InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-; Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O 9QJO NAG InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O 9QXN A1JBI InChI=1S/C24H25ClN4O5/c1-31-23-16(25)3-2-4-18(23)29-22-20-17(6-8-27-24(20)30)28-21(22)15-5-7-26-11-19(15)34-13-14-12-32-9-10-33-14/h2-5,7,11,14,28-29H,6,8-10,12-13H2,1H3,(H,27,30)/t14-/m0/s1 COc1c(cccc1Cl)Nc2c3c([nH]c2c4ccncc4OC[C@@H]5COCCO5)CCNC3=O 9QXN CL InChI=1S/ClH/h1H/p-1 [Cl-] 9QXN DMS InChI=1S/C2H6OS/c1-4(2)3/h1-2H3 CS(=O)C 9QXN EDO InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2 C(CO)O 9QXN SIN InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8) C(CC(=O)O)C(=O)O 9R6U AP5 InChI=1S/C20H29N10O22P5/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(47-19)1-45-53(35,36)49-55(39,40)51-57(43,44)52-56(41,42)50-54(37,38)46-2-8-12(32)14(34)20(48-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N 9R6U NA InChI=1S/Na/q+1 [Na+] 9R71 AP5 InChI=1S/C20H29N10O22P5/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(47-19)1-45-53(35,36)49-55(39,40)51-57(43,44)52-56(41,42)50-54(37,38)46-2-8-12(32)14(34)20(48-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)N 9R72 CL InChI=1S/ClH/h1H/p-1 [Cl-] 9RPX DMS InChI=1S/C2H6OS/c1-4(2)3/h1-2H3 CS(=O)C 9RPX EDO InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2 C(CO)O 9RPX MN InChI=1S/Mn/q+2 [Mn+2] 9RPX R8P InChI=1S/C8H9NO3/c1-6(10)7-2-4-8(5-3-7)9(11)12/h2-6,10H,1H3/t6-/m0/s1 C[C@@H](c1ccc(cc1)[N+](=O)[O-])O 9RPY DMS InChI=1S/C2H6OS/c1-4(2)3/h1-2H3 CS(=O)C 9RPY EDO InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2 C(CO)O 9RPY MN InChI=1S/Mn/q+2 [Mn+2] 9RPY UIS InChI=1S/C12H18N2O/c1-4-14(5-2)12-8-6-7-11(9-12)13-10(3)15/h6-9H,4-5H2,1-3H3,(H,13,15) CCN(CC)c1cccc(c1)NC(=O)C 9RPZ DMS InChI=1S/C2H6OS/c1-4(2)3/h1-2H3 CS(=O)C 9RPZ EDO InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2 C(CO)O 9RPZ MN InChI=1S/Mn/q+2 [Mn+2] 9RPZ PBC InChI=1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H B(c1ccccc1)(O)O 9RQ1 DMS InChI=1S/C2H6OS/c1-4(2)3/h1-2H3 CS(=O)C 9RQ1 EDO InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2 C(CO)O 9RQ1 MN InChI=1S/Mn/q+2 [Mn+2] 9RQ1 R8V InChI=1S/C9H9NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5,8,11H,1H3/t8-/m0/s1 CN1[C@H](c2ccccc2C1=O)O 9RQ2 A1JH9 InChI=1S/C9H11NO2/c1-11-7-2-3-9-8(6-7)10-4-5-12-9/h2-3,6,10H,4-5H2,1H3 COc1ccc2c(c1)NCCO2 9RQ2 DMS InChI=1S/C2H6OS/c1-4(2)3/h1-2H3 CS(=O)C 9RQ2 EDO InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2 C(CO)O 9RQ2 MN InChI=1S/Mn/q+2 [Mn+2] 9RQ3 DMS InChI=1S/C2H6OS/c1-4(2)3/h1-2H3 CS(=O)C 9RQ3 EDO InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2 C(CO)O 9RQ3 MN InChI=1S/Mn/q+2 [Mn+2] 9RQ3 TJV InChI=1S/C8H7NO2S/c9-8(12)5-1-2-6-7(3-5)11-4-10-6/h1-3H,4H2,(H2,9,12) c1cc2c(cc1C(=S)N)OCO2 9RQ4 DMS InChI=1S/C2H6OS/c1-4(2)3/h1-2H3 CS(=O)C 9RQ4 EDO InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2 C(CO)O 9RQ4 MN InChI=1S/Mn/q+2 [Mn+2] 9RQ4 R9G InChI=1S/C12H15NO2/c1-15-11-6-4-5-10(9-11)12(14)13-7-2-3-8-13/h4-6,9H,2-3,7-8H2,1H3 COc1cccc(c1)C(=O)N2CCCC2 9RQ5 BR InChI=1S/BrH/h1H/p-1 [Br-] 9RQ5 DMS InChI=1S/C2H6OS/c1-4(2)3/h1-2H3 CS(=O)C 9RQ5 EDO InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2 C(CO)O 9RQ5 MN InChI=1S/Mn/q+2 [Mn+2] 9RQ5 SYJ InChI=1S/C11H10FNO3S/c12-10-5-1-2-6-11(10)17(14,15)13-8-9-4-3-7-16-9/h1-7,13H,8H2 c1ccc(c(c1)F)S(=O)(=O)NCc2ccco2 9RQ6 A1JH8 InChI=1S/C11H14O4/c1-13-9-5-4-8(6-11(12)15-3)10(7-9)14-2/h4-5,7H,6H2,1-3H3 COc1ccc(c(c1)OC)CC(=O)OC 9RQ6 DMS InChI=1S/C2H6OS/c1-4(2)3/h1-2H3 CS(=O)C 9RQ6 EDO InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2 C(CO)O 9RQ6 MN InChI=1S/Mn/q+2 [Mn+2] 9RQ7 DMS InChI=1S/C2H6OS/c1-4(2)3/h1-2H3 CS(=O)C 9RQ7 EDO InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2 C(CO)O 9RQ7 MN InChI=1S/Mn/q+2 [Mn+2] 9RQ7 T9Y InChI=1S/C7H7F3N2O2/c1-2-14-6(13)4-3-11-12-5(4)7(8,9)10/h3H,2H2,1H3,(H,11,12) CCOC(=O)c1cn[nH]c1C(F)(F)F 9RQ9 DMS InChI=1S/C2H6OS/c1-4(2)3/h1-2H3 CS(=O)C 9RQ9 EDO InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2 C(CO)O 9RQ9 MN InChI=1S/Mn/q+2 [Mn+2] 9RQ9 RBJ InChI=1S/C8H11NO/c1-9-6-7-2-4-8(10)5-3-7/h2-5,9-10H,6H2,1H3 CNCc1ccc(cc1)O 9RQA DMS InChI=1S/C2H6OS/c1-4(2)3/h1-2H3 CS(=O)C 9RQA EDO InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2 C(CO)O 9RQA MN InChI=1S/Mn/q+2 [Mn+2] 9RQA UI4 InChI=1S/C11H9NO/c13-10-6-4-9(5-7-10)11-3-1-2-8-12-11/h1-8,13H c1ccnc(c1)c2ccc(cc2)O 9RQB A1JH7 InChI=1S/C12H16FNO/c1-8(14)10-4-5-12(11(13)6-10)15-7-9-2-3-9/h4-6,8-9H,2-3,7,14H2,1H3/t8-/m0/s1 C[C@@H](c1ccc(c(c1)F)OCC2CC2)N 9RQB DMS InChI=1S/C2H6OS/c1-4(2)3/h1-2H3 CS(=O)C 9RQB EDO InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2 C(CO)O 9RQB MN InChI=1S/Mn/q+2 [Mn+2] 9RQD DMS InChI=1S/C2H6OS/c1-4(2)3/h1-2H3 CS(=O)C 9RQD EDO InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2 C(CO)O 9RQD MN InChI=1S/Mn/q+2 [Mn+2] 9RQD RD4 InChI=1S/C9H12N2O/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3,(H3,10,11) [H]/N=C(\c1cccc(c1)OCC)/N 9RQE DMS InChI=1S/C2H6OS/c1-4(2)3/h1-2H3 CS(=O)C 9RQE EDO InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2 C(CO)O 9RQE MN InChI=1S/Mn/q+2 [Mn+2] 9RQE UI7 InChI=1S/C9H11NO2/c1-7(12)10-9-4-2-3-8(5-9)6-11/h2-5,11H,6H2,1H3,(H,10,12) CC(=O)Nc1cccc(c1)CO 9RQF DMS InChI=1S/C2H6OS/c1-4(2)3/h1-2H3 CS(=O)C 9RQF EDO InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2 C(CO)O 9RQF MN InChI=1S/Mn/q+2 [Mn+2] 9RQF UID InChI=1S/C11H13NO2/c1-2-14-11(13)8-5-9-3-6-10(12)7-4-9/h3-8H,2,12H2,1H3/b8-5+ CCOC(=O)/C=C/c1ccc(cc1)N 9RQG DMS InChI=1S/C2H6OS/c1-4(2)3/h1-2H3 CS(=O)C 9RQG EDO InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2 C(CO)O 9RQG MN InChI=1S/Mn/q+2 [Mn+2] 9RQG U8X InChI=1S/C11H11N3O2/c15-10-4-2-9(3-5-10)13-11(16)8-14-7-1-6-12-14/h1-7,15H,8H2,(H,13,16) c1cnn(c1)CC(=O)Nc2ccc(cc2)O 9RQH DMS InChI=1S/C2H6OS/c1-4(2)3/h1-2H3 CS(=O)C 9RQH EDO InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2 C(CO)O 9RQH MN InChI=1S/Mn/q+2 [Mn+2] 9RQH SZA InChI=1S/C12H12N2OS/c15-12(10-3-6-13-7-4-10)14-8-5-11-2-1-9-16-11/h1-4,6-7,9H,5,8H2,(H,14,15) c1cc(sc1)CCNC(=O)c2ccncc2 9RZZ A1JKN InChI=1S/C4H9NO3S/c6-9(7,8)5-3-1-2-4-5/h1-4H2,(H,6,7,8) C1CCN(C1)S(=O)(=O)O 9RZZ EDO InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2 C(CO)O 9S01 EDO InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2 C(CO)O 9S01 TLA InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1 [C@@H]([C@H](C(=O)O)O)(C(=O)O)O 9S02 DMS InChI=1S/C2H6OS/c1-4(2)3/h1-2H3 CS(=O)C 9S02 EDO InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2 C(CO)O 9S02 R9M InChI=1S/C6H7NO2S/c8-6(9)2-1-5-7-3-4-10-5/h3-4H,1-2H2,(H,8,9) c1csc(n1)CCC(=O)O 9S04 A1JKQ InChI=1S/C10H7F2N3O/c11-7-1-2-8(9(12)3-7)10(16)4-15-6-13-5-14-15/h1-3,5-6H,4H2 c1cc(c(cc1F)F)C(=O)Cn2cncn2 9S04 EDO InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2 C(CO)O 9S04 TLA InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1 [C@@H]([C@H](C(=O)O)O)(C(=O)O)O 9SDS CA InChI=1S/Ca/q+2 [Ca+2] 9SDS CL InChI=1S/ClH/h1H/p-1 [Cl-] 9SDS HEM InChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-; Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O 9SDS IOD InChI=1S/HI/h1H/p-1 [I-] 9SDS NAG InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O 9SKQ ANP InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N 9SKQ MG InChI=1S/Mg/q+2 [Mg+2] 9SMQ A1JOT InChI=1S/C19H15F3N2O2/c20-19(21,22)14-7-4-8-16(11-14)24-17(13-5-2-1-3-6-13)12-15(23-24)9-10-18(25)26/h1-8,11-12H,9-10H2,(H,25,26) c1ccc(cc1)c2cc(nn2c3cccc(c3)C(F)(F)F)CCC(=O)O 9SMQ PO4 InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3 [O-]P(=O)([O-])[O-] 9SSP THH InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12-,13-/m0/s1 CN1c2c(nc(nc2O)N)NC[C@@H]1CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O 9SSR THH InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12-,13-/m0/s1 CN1c2c(nc(nc2O)N)NC[C@@H]1CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O 9SSS B12 InChI=1S/C62H90N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-37,41,52-53,56-57,72,76,84H,12-19,22,24-27H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86);/q;+2/b42-23-,50-32-,55-33-;/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;/m1./s1 Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O 9SST B12 InChI=1S/C62H90N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-37,41,52-53,56-57,72,76,84H,12-19,22,24-27H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86);/q;+2/b42-23-,50-32-,55-33-;/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;/m1./s1 Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=[N]6[Co+2]89[N]5=C4C(=C1[NH]8C(=CC2=[N]9C(=C7C)C(C2CCC(=O)N)(C)CC(=O)N)C(C1CCC(=O)N)(C)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O 9U8E OLC InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-/t20-/m1/s1 CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](CO)O 9U8H OLC InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-/t20-/m1/s1 CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](CO)O 9UYW CL InChI=1S/ClH/h1H/p-1 [Cl-] 9UYW NA InChI=1S/Na/q+1 [Na+] 9VAR CU InChI=1S/Cu/q+2 [Cu+2] 9VAR NA InChI=1S/Na/q+1 [Na+] 9VD2 A1L99 InChI=1S/C35H34Cl2FN3O6/c1-45-23-11-35(12-23)16-40(17-35)22-7-27(36)31(28(37)8-22)33(42)39-13-19-3-2-4-24(32(19)47-18-39)25-10-30(26(34(43)44)9-29(25)38)41-20-5-6-21(41)15-46-14-20/h2-4,7-10,20-21,23H,5-6,11-18H2,1H3,(H,43,44)/t20-,21+ COC1CC2(C1)CN(C2)c3cc(c(c(c3)Cl)C(=O)N4Cc5cccc(c5OC4)c6cc(c(cc6F)C(=O)O)N7[C@@H]8CC[C@H]7COC8)Cl 9VD2 ACT InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1 CC(=O)[O-] 9VD2 DMS InChI=1S/C2H6OS/c1-4(2)3/h1-2H3 CS(=O)C 9W4F BGC InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O 9WSC MG InChI=1S/Mg/q+2 [Mg+2] 9XZ1 A1CRY InChI=1S/C57H66ClN13O6/c1-4-50(74)70-28-27-69(34-41(70)15-19-59)53-42-18-22-68(47-10-6-8-38-7-5-9-45(58)51(38)47)35-46(42)61-57(62-53)77-30-29-65-23-25-67(26-24-65)56(76)39-16-20-66(21-17-39)33-37-11-13-40(14-12-37)71-54(63-64-55(71)52(60)75)44-31-43(36(2)3)48(72)32-49(44)73/h5-14,31-32,36,39,41,72-73H,4,15-18,20-30,33-35H2,1-3H3,(H2,60,75)/t41-/m0/s1 CCC(=O)N1CCN(C[C@@H]1CC#N)c2c3c(nc(n2)OCCN4CCN(CC4)C(=O)C5CCN(CC5)Cc6ccc(cc6)n7c(nnc7C(=O)N)c8cc(c(cc8O)O)C(C)C)CN(CC3)c9cccc1c9c(ccc1)Cl 9XZ1 BTB InChI=1S/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2 C(CO)N(CCO)C(CO)(CO)CO 9XZ1 CA InChI=1S/Ca/q+2 [Ca+2] 9XZ1 GDP InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N 9XZ1 MG InChI=1S/Mg/q+2 [Mg+2] 9Y5Q A1B92 InChI=1S/C18H24F2N6O/c1-13-4-7-26(24-13)17-22-15(21-14-2-5-18(19,20)6-3-14)12-16(23-17)25-8-10-27-11-9-25/h4,7,12,14H,2-3,5-6,8-11H2,1H3,(H,21,22,23) Cc1ccn(n1)c2nc(cc(n2)N3CCOCC3)NC4CCC(CC4)(F)F 9Y5Q CA InChI=1S/Ca/q+2 [Ca+2] 9Y5Q K InChI=1S/K/q+1 [K+] 9Y76 A1CSX InChI=1S/C29H28Cl2F2N6O3/c30-19-2-3-20(24(33)12-19)27-21(29(41)37-25(13-26(34)40)17-1-4-23(32)22(31)11-17)15-35-28(27)18-14-36-39(16-18)6-5-38-7-9-42-10-8-38/h1-4,11-12,14-16,25,35H,5-10,13H2,(H2,34,40)(H,37,41)/t25-/m0/s1 c1cc(c(cc1[C@H](CC(=O)N)NC(=O)c2c[nH]c(c2c3ccc(cc3F)Cl)c4cnn(c4)CCN5CCOCC5)Cl)F 9Y76 UNX * 9Y7D A1AF4 InChI=1S/C28H30FN5O5/c29-21-12-17(14-32-15-19(16-32)33-8-10-39-11-9-33)4-5-18(21)13-30-22-3-1-2-20-25(22)28(38)34(27(20)37)23-6-7-24(35)31-26(23)36/h1-5,12,19,23,30H,6-11,13-16H2,(H,31,35,36)/t23-/m0/s1 c1cc2c(c(c1)NCc3ccc(cc3F)CN4CC(C4)N5CCOCC5)C(=O)N(C2=O)[C@H]6CCC(=O)NC6=O 9Y7D ZN InChI=1S/Zn/q+2 [Zn+2] 9YD8 MG InChI=1S/Mg/q+2 [Mg+2] 9YGX EDO InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2 C(CO)O 9YH8 CL InChI=1S/ClH/h1H/p-1 [Cl-] 9YH8 EDO InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2 C(CO)O 9YIC A1CXF InChI=1S/C29H38N4O3S/c1-29(2)25(30-16-17-37-29)28(36)31-19-20-10-9-13-22(18-20)26(34)33-24(21-11-5-3-6-12-21)27(35)32-23-14-7-4-8-15-23/h4,7-10,13-15,18,21,24-25,30H,3,5-6,11-12,16-17,19H2,1-2H3,(H,31,36)(H,32,35)(H,33,34)/t24-,25-/m0/s1 CC1([C@@H](NCCS1)C(=O)NCc2cccc(c2)C(=O)N[C@@H](C3CCCCC3)C(=O)Nc4ccccc4)C 9YIS NA InChI=1S/Na/q+1 [Na+] 9YIS PG4 InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2 C(COCCOCCOCCO)O 9YIS PGE InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2 C(COCCOCCO)O 9YIT NAP InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N 9YIT PG4 InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2 C(COCCOCCOCCO)O

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