PDB_ID	Component_ID	InChI	SMILES string
10AJ	A1C4J	InChI=1S/C18H21N5O2S/c1-21-14-19-20-18(21)15-8-12-23(13-9-15)26(24,25)17-6-4-16(5-7-17)22-10-2-3-11-22/h2-7,10-11,14-15H,8-9,12-13H2,1H3	Cn1cnnc1C2CCN(CC2)S(=O)(=O)c3ccc(cc3)n4cccc4
10AJ	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
10AJ	ZN	InChI=1S/Zn/q+2	[Zn+2]
10AK	A1C4L	InChI=1S/C23H24N2O3S/c26-23(16-19-8-10-21(11-9-19)24-13-4-5-14-24)25(17-20-6-2-1-3-7-20)22-12-15-29(27,28)18-22/h1-11,13-14,22H,12,15-18H2/t22-/m1/s1	c1ccc(cc1)CN([C@@H]2CCS(=O)(=O)C2)C(=O)Cc3ccc(cc3)n4cccc4
10AK	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
10AK	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
10AK	ZN	InChI=1S/Zn/q+2	[Zn+2]
10AP	A1C4O	InChI=1S/C28H29F3N2O5S/c1-28(2,35)25-12-17(8-10-32-25)15-33(20-9-11-39(36,37)16-20)27(34)26(38-3)21-6-4-18(13-23(21)30)19-5-7-22(29)24(31)14-19/h4-8,10,12-14,20,26,35H,9,11,15-16H2,1-3H3/t20-,26-/m1/s1	CC(C)(c1cc(ccn1)CN([C@@H]2CCS(=O)(=O)C2)C(=O)[C@@H](c3ccc(cc3F)c4ccc(c(c4)F)F)OC)O
10AP	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
10AP	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
10AP	ZN	InChI=1S/Zn/q+2	[Zn+2]
11GI	MG	InChI=1S/Mg/q+2	[Mg+2]
11GJ	MG	InChI=1S/Mg/q+2	[Mg+2]
11GK	MG	InChI=1S/Mg/q+2	[Mg+2]
11HK	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
11HL	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
11HW	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
11KR	ACT	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	CC(=O)[O-]
11KR	NA	InChI=1S/Na/q+1	[Na+]
11KR	ZN	InChI=1S/Zn/q+2	[Zn+2]
12CI	K	InChI=1S/K/q+1	[K+]
12CI	LDP	InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2	c1cc(c(cc1CCN)O)O
12CI	NCO	InChI=1S/Co.6H3N/h;6*1H3/q+3;;;;;;	[NH3][Co+3]([NH3])([NH3])([NH3])([NH3])[NH3]
12CJ	SR	InChI=1S/Sr/q+2	[Sr+2]
13BB	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
13BB	MG	InChI=1S/Mg/q+2	[Mg+2]
13BB	TPP	InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1	Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO[P@](=O)(O)OP(=O)(O)O
13BV	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
13BV	MG	InChI=1S/Mg/q+2	[Mg+2]
13BV	MYR	InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)	CCCCCCCCCCCCCC(=O)O
13FR	CLR	InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1	CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
13FT	PG4	InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2	C(COCCOCCOCCO)O
13GO	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
13GO	ZN	InChI=1S/Zn/q+2	[Zn+2]
21VV	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
21VV	BEF	InChI=1S/Be.3FH/h;3*1H/q+2;;;/p-3	[Be-](F)(F)F
21VV	MG	InChI=1S/Mg/q+2	[Mg+2]
21WA	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
21WA	BEF	InChI=1S/Be.3FH/h;3*1H/q+2;;;/p-3	[Be-](F)(F)F
21WA	MG	InChI=1S/Mg/q+2	[Mg+2]
21WC	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
21WC	BEF	InChI=1S/Be.3FH/h;3*1H/q+2;;;/p-3	[Be-](F)(F)F
21WC	MG	InChI=1S/Mg/q+2	[Mg+2]
23FC	AGS	InChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4-,6-,7-,10-/m1/s1	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
23FC	MG	InChI=1S/Mg/q+2	[Mg+2]
23FC	ZN	InChI=1S/Zn/q+2	[Zn+2]
26AE	SAM	InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1	C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
26AY	A1E80	InChI=1S/C22H28O6/c1-11-7-13-9-15(23)19(25-3)21(27-5)17(13)18-14(8-12(11)2)10-16(24)20(26-4)22(18)28-6/h9-12,23-24H,7-8H2,1-6H3/t11-,12+	C[C@@H]1Cc2cc(c(c(c2-c3c(cc(c(c3OC)OC)O)C[C@@H]1C)OC)OC)O
26AY	SAM	InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1	C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
26EE	PO4	InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3	[O-]P(=O)([O-])[O-]
28VY	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
28VY	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
28VY	MG	InChI=1S/Mg/q+2	[Mg+2]
28VY	ZN	InChI=1S/Zn/q+2	[Zn+2]
29KI	FES	InChI=1S/2Fe.2S	S1[Fe]S[Fe]1
29LW	9O9	InChI=1S/C18H22N3O9P/c1-8-3-10-5-11-16(19-18(26)20-17(11)25)21(12(10)4-9(8)2)6-13(22)15(24)14(23)7-30-31(27,28)29/h3-5,13-15,22-24H,6-7H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t13-,14+,15-/m0/s1	Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=C2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
29LX	5DD	InChI=1S/C18H24N3O9P/c1-8-3-10-5-11-16(19-18(26)20-17(11)25)21(12(10)4-9(8)2)6-13(22)15(24)14(23)7-30-31(27,28)29/h3-4,11,13-15,22-24H,5-7H2,1-2H3,(H,20,25,26)(H2,27,28,29)/t11-,13+,14-,15+/m1/s1	Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@@H]3C2)C[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
30ID	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9E9P	A1BGG	InChI=1S/C15H17NO2/c1-10-8-15(12(3)17)11(2)16(10)13-6-5-7-14(9-13)18-4/h5-9H,1-4H3	Cc1cc(c(n1c2cccc(c2)OC)C)C(=O)C
9H55	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
9H55	FES	InChI=1S/2Fe.2S	S1[Fe]S[Fe]1
9H55	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
9H55	K	InChI=1S/K/q+1	[K+]
9H55	MG	InChI=1S/Mg/q+2	[Mg+2]
9H55	ZN	InChI=1S/Zn/q+2	[Zn+2]
9H8W	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9H8W	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
9K9X	PO4	InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3	[O-]P(=O)([O-])[O-]
9K9Y	FPS	InChI=1S/C15H28O6P2S/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-24-23(19,20)21-22(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+	CC(=CCC/C(=C/CC/C(=C/CS[P@@](=O)(O)OP(=O)(O)O)/C)/C)C
9K9Y	MG	InChI=1S/Mg/q+2	[Mg+2]
9KDT	MG	InChI=1S/Mg/q+2	[Mg+2]
9KDT	ZN	InChI=1S/Zn/q+2	[Zn+2]
9KDU	MG	InChI=1S/Mg/q+2	[Mg+2]
9KDU	ZN	InChI=1S/Zn/q+2	[Zn+2]
9KDV	MG	InChI=1S/Mg/q+2	[Mg+2]
9KDV	ZN	InChI=1S/Zn/q+2	[Zn+2]
9KDW	MG	InChI=1S/Mg/q+2	[Mg+2]
9KDW	ZN	InChI=1S/Zn/q+2	[Zn+2]
9L36	97U	InChI=1S/C20H18ClNO6/c1-10-7-12-14(21)9-13(17(23)16(12)20(27)28-10)18(24)22-15(19(25)26)8-11-5-3-2-4-6-11/h2-6,9-10,15,23H,7-8H2,1H3,(H,22,24)(H,25,26)/t10-,15+/m1/s1	C[C@@H]1Cc2c(cc(c(c2C(=O)O1)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)O)Cl
9L36	ZN	InChI=1S/Zn/q+2	[Zn+2]
9MLE	CA	InChI=1S/Ca/q+2	[Ca+2]
9MLE	MES	InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)	C1COCC[NH+]1CCS(=O)(=O)[O-]
9NI4	A1AZD	InChI=1S/C29H32FN5O5S/c1-29(2,3)40-28(37)32-11-12-38-13-14-39-23-7-5-4-6-19(23)25-26-20(10-15-41-26)27(35-34-25)33-22-9-8-18(16-21(22)30)17-24(31)36/h4-10,15-16H,11-14,17H2,1-3H3,(H2,31,36)(H,32,37)(H,33,35)	CC(C)(C)OC(=O)NCCOCCOc1ccccc1c2c3c(ccs3)c(nn2)Nc4ccc(cc4F)CC(=O)N
9NI4	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
9NI4	MG	InChI=1S/Mg/q+2	[Mg+2]
9NI5	A1AZD	InChI=1S/C29H32FN5O5S/c1-29(2,3)40-28(37)32-11-12-38-13-14-39-23-7-5-4-6-19(23)25-26-20(10-15-41-26)27(35-34-25)33-22-9-8-18(16-21(22)30)17-24(31)36/h4-10,15-16H,11-14,17H2,1-3H3,(H2,31,36)(H,32,37)(H,33,35)	CC(C)(C)OC(=O)NCCOCCOc1ccccc1c2c3c(ccs3)c(nn2)Nc4ccc(cc4F)CC(=O)N
9NI5	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
9NI5	MG	InChI=1S/Mg/q+2	[Mg+2]
9NI6	A1AZD	InChI=1S/C29H32FN5O5S/c1-29(2,3)40-28(37)32-11-12-38-13-14-39-23-7-5-4-6-19(23)25-26-20(10-15-41-26)27(35-34-25)33-22-9-8-18(16-21(22)30)17-24(31)36/h4-10,15-16H,11-14,17H2,1-3H3,(H2,31,36)(H,32,37)(H,33,35)	CC(C)(C)OC(=O)NCCOCCOc1ccccc1c2c3c(ccs3)c(nn2)Nc4ccc(cc4F)CC(=O)N
9NI6	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
9NI6	MG	InChI=1S/Mg/q+2	[Mg+2]
9NID	A1AZD	InChI=1S/C29H32FN5O5S/c1-29(2,3)40-28(37)32-11-12-38-13-14-39-23-7-5-4-6-19(23)25-26-20(10-15-41-26)27(35-34-25)33-22-9-8-18(16-21(22)30)17-24(31)36/h4-10,15-16H,11-14,17H2,1-3H3,(H2,31,36)(H,32,37)(H,33,35)	CC(C)(C)OC(=O)NCCOCCOc1ccccc1c2c3c(ccs3)c(nn2)Nc4ccc(cc4F)CC(=O)N
9NID	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
9NID	MG	InChI=1S/Mg/q+2	[Mg+2]
9NIE	A1AZD	InChI=1S/C29H32FN5O5S/c1-29(2,3)40-28(37)32-11-12-38-13-14-39-23-7-5-4-6-19(23)25-26-20(10-15-41-26)27(35-34-25)33-22-9-8-18(16-21(22)30)17-24(31)36/h4-10,15-16H,11-14,17H2,1-3H3,(H2,31,36)(H,32,37)(H,33,35)	CC(C)(C)OC(=O)NCCOCCOc1ccccc1c2c3c(ccs3)c(nn2)Nc4ccc(cc4F)CC(=O)N
9NIE	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
9NIE	MG	InChI=1S/Mg/q+2	[Mg+2]
9NLC	A1AZD	InChI=1S/C29H32FN5O5S/c1-29(2,3)40-28(37)32-11-12-38-13-14-39-23-7-5-4-6-19(23)25-26-20(10-15-41-26)27(35-34-25)33-22-9-8-18(16-21(22)30)17-24(31)36/h4-10,15-16H,11-14,17H2,1-3H3,(H2,31,36)(H,32,37)(H,33,35)	CC(C)(C)OC(=O)NCCOCCOc1ccccc1c2c3c(ccs3)c(nn2)Nc4ccc(cc4F)CC(=O)N
9NLC	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
9NLC	MG	InChI=1S/Mg/q+2	[Mg+2]
9NS2	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
9NS2	POP	InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2	O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
9NS3	CTP	InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1	C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O
9NS3	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
9NS3	MG	InChI=1S/Mg/q+2	[Mg+2]
9NS4	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
9O37	A1B7X	InChI=1S/C36H42ClN9O4/c37-28-12-10-26(11-13-28)27-9-4-8-25(18-27)19-39-14-5-16-45(17-15-40-36(49)41-20-24-6-2-1-3-7-24)21-29-31(47)32(48)35(50-29)46-23-44-30-33(38)42-22-43-34(30)46/h1-4,6-13,18,22-23,29,31-32,35,39,47-48H,5,14-17,19-21H2,(H2,38,42,43)(H2,40,41,49)/t29-,31-,32-,35-/m1/s1	c1ccc(cc1)CNC(=O)NCCN(CCCNCc2cccc(c2)c3ccc(cc3)Cl)C[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O
9O37	CA	InChI=1S/Ca/q+2	[Ca+2]
9O37	EPE	InChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)	C1CN(CCN1CCO)CCS(=O)(=O)O
9O6H	A1B9W	InChI=1S/C26H29ClN6O3S/c27-19-7-5-17(6-8-19)18-4-1-3-16(11-18)12-29-9-2-10-37-13-20-22(34)23(35)26(36-20)33-15-32-21-24(28)30-14-31-25(21)33/h1,3-8,11,14-15,20,22-23,26,29,34-35H,2,9-10,12-13H2,(H2,28,30,31)/t20-,22-,23-,26-/m1/s1	c1cc(cc(c1)c2ccc(cc2)Cl)CNCCCSC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O
9OFS	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9OFS	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
9OH4	ZN	InChI=1S/Zn/q+2	[Zn+2]
9OPQ	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
9P3J	MN	InChI=1S/Mn/q+2	[Mn+2]
9P3K	MN	InChI=1S/Mn/q+2	[Mn+2]
9P3K	UDP	InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1	C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O
9PC1	A1CHQ	InChI=1S/C26H25N5O/c32-26(18-7-8-22(29-16-18)20-9-11-27-25-21(20)10-12-28-25)30-24-19-6-2-1-5-17(19)15-23(24)31-13-3-4-14-31/h1-2,5-12,16,23-24H,3-4,13-15H2,(H,27,28)(H,30,32)/t23-,24-/m1/s1	c1ccc2c(c1)C[C@H]([C@@H]2NC(=O)c3ccc(nc3)c4ccnc5c4cc[nH]5)N6CCCC6
9PC1	MPD	InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1	C[C@@H](CC(C)(C)O)O
9PIH	DXT	InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31)/t7-,10+,14+,15-,17-,22-/m0/s1	C[C@H]1c2cccc(c2C(=O)C3=C([C@]4([C@@H]([C@H]([C@H]13)O)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O
9PIH	K	InChI=1S/K/q+1	[K+]
9PIH	MG	InChI=1S/Mg/q+2	[Mg+2]
9PIH	ZN	InChI=1S/Zn/q+2	[Zn+2]
9PII	K	InChI=1S/K/q+1	[K+]
9PII	MG	InChI=1S/Mg/q+2	[Mg+2]
9PII	V7A	InChI=1S/C24H29N3O8/c1-26(2)18-13-8-11-7-12-10(9-27(3)35-4)5-6-14(28)16(12)19(29)15(11)21(31)24(13,34)22(32)17(20(18)30)23(25)33/h5-6,11,13,18,28,30-31,34H,7-9H2,1-4H3,(H2,25,33)/t11-,13-,18-,24-/m0/s1	CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)CN(C)OC
9PII	ZN	InChI=1S/Zn/q+2	[Zn+2]
9PIJ	K	InChI=1S/K/q+1	[K+]
9PIJ	MG	InChI=1S/Mg/q+2	[Mg+2]
9PIJ	MIY	InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1	CN(C)c1ccc(c2c1C[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=C3C2=O)O)O)C(=O)N)O)N(C)C)O
9PIJ	ZN	InChI=1S/Zn/q+2	[Zn+2]
9PJ7	DXT	InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31)/t7-,10+,14+,15-,17-,22-/m0/s1	C[C@H]1c2cccc(c2C(=O)C3=C([C@]4([C@@H]([C@H]([C@H]13)O)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O
9PJ7	MG	InChI=1S/Mg/q+2	[Mg+2]
9PJ7	ZN	InChI=1S/Zn/q+2	[Zn+2]
9PJ8	MG	InChI=1S/Mg/q+2	[Mg+2]
9PJ8	V7A	InChI=1S/C24H29N3O8/c1-26(2)18-13-8-11-7-12-10(9-27(3)35-4)5-6-14(28)16(12)19(29)15(11)21(31)24(13,34)22(32)17(20(18)30)23(25)33/h5-6,11,13,18,28,30-31,34H,7-9H2,1-4H3,(H2,25,33)/t11-,13-,18-,24-/m0/s1	CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)CN(C)OC
9PJ8	ZN	InChI=1S/Zn/q+2	[Zn+2]
9PJ9	MG	InChI=1S/Mg/q+2	[Mg+2]
9PJ9	MIY	InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1	CN(C)c1ccc(c2c1C[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=C3C2=O)O)O)C(=O)N)O)N(C)C)O
9PJ9	ZN	InChI=1S/Zn/q+2	[Zn+2]
9PYU	PO4	InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3	[O-]P(=O)([O-])[O-]
9QC6	A1I5O	InChI=1S/C30H37F4N3O3/c1-19(38)36(2)16-20-6-4-7-21(12-20)23-13-25-24(26(14-23)30(32,33)34)8-5-9-28(25)37(3)29(39)18-40-17-22-10-11-35-15-27(22)31/h4,6-7,12-14,22,27-28,35H,5,8-11,15-18H2,1-3H3/t22-,27-,28-/m0/s1	CC(=O)N(C)Cc1cccc(c1)c2cc3c(c(c2)C(F)(F)F)CCC[C@@H]3N(C)C(=O)COC[C@@H]4CCNC[C@@H]4F
9R3D	IHP	InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-	C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
9R3N	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9R3N	NA	InChI=1S/Na/q+1	[Na+]
9R3N	PA5	InChI=1S/C5H11O9P/c6-2(1-14-15(11,12)13)3(7)4(8)5(9)10/h2-4,6-8H,1H2,(H,9,10)(H2,11,12,13)/t2-,3-,4+/m1/s1	C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)OP(=O)(O)O
9R3N	XKD	InChI=1S/C4H10N2O/c1-3(5)4(7)6-2/h3H,5H2,1-2H3,(H,6,7)/t3-/m1/s1	C[C@H](C(=O)NC)N
9R3P	CYN	InChI=1S/CN/c1-2/q-1	[C-]#N
9R3P	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
9R3P	PO4	InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3	[O-]P(=O)([O-])[O-]
9R3Q	PA5	InChI=1S/C5H11O9P/c6-2(1-14-15(11,12)13)3(7)4(8)5(9)10/h2-4,6-8H,1H2,(H,9,10)(H2,11,12,13)/t2-,3-,4+/m1/s1	C([C@H]([C@H]([C@@H](C(=O)O)O)O)O)OP(=O)(O)O
9R8W	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
9RGQ	PO4	InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3	[O-]P(=O)([O-])[O-]
9RGR	3HC	InChI=1S/C25H42N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-14,18-20,24,33,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41)/t13-,14+,18+,19+,20-,24+/m0/s1	CC(CC(=O)SCCNC(=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)O
9RGS	3H9	InChI=1S/C27H46N7O18P3S/c1-4-5-15(35)10-18(37)56-9-8-29-17(36)6-7-30-25(40)22(39)27(2,3)12-49-55(46,47)52-54(44,45)48-11-16-21(51-53(41,42)43)20(38)26(50-16)34-14-33-19-23(28)31-13-32-24(19)34/h13-16,20-22,26,35,38-39H,4-12H2,1-3H3,(H,29,36)(H,30,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/p-4/t15-,16+,20+,21+,22-,26+/m0/s1	CCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O
9RGT	HSC	InChI=1S/C31H54N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-20,24-26,30,39,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/p-4/t19-,20+,24+,25+,26-,30+/m0/s1	CCCCCCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O
9RGU	A1JF6	InChI=1S/C17H32N2O6S/c1-4-5-12(21)10-14(23)26-9-8-18-13(22)6-7-19-16(25)15(24)17(2,3)11-20/h12,15,20-21,24H,4-11H2,1-3H3,(H,18,22)(H,19,25)/t12-,15-/m0/s1	CCC[C@@H](CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O)O
9RGU	A3P	InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/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)OP(=O)(O)O)O)N
9RGU	COA	InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1	CC(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)[C@H](C(=O)NCCC(=O)NCCS)O
9RHI	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
9RHI	MG	InChI=1S/Mg/q+2	[Mg+2]
9RHI	ZN	InChI=1S/Zn/q+2	[Zn+2]
9RHJ	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
9RHJ	MG	InChI=1S/Mg/q+2	[Mg+2]
9RHJ	ZN	InChI=1S/Zn/q+2	[Zn+2]
9RHL	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
9RHL	MG	InChI=1S/Mg/q+2	[Mg+2]
9RHL	ZN	InChI=1S/Zn/q+2	[Zn+2]
9RHM	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
9RHM	MG	InChI=1S/Mg/q+2	[Mg+2]
9RHM	ZN	InChI=1S/Zn/q+2	[Zn+2]
9RQP	DMS	InChI=1S/C2H6OS/c1-4(2)3/h1-2H3	CS(=O)C
9RQP	PEG	InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2	C(COCCO)O
9RQP	PGR	InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1	C[C@H](CO)O
9RQP	URF	InChI=1S/C4H3FN2O2/c5-2-1-6-4(9)7-3(2)8/h1H,(H2,6,7,8,9)	C1=C(C(=O)NC(=O)N1)F
9RRF	CA	InChI=1S/Ca/q+2	[Ca+2]
9RRF	PTY	InChI=1S/C40H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h38H,3-37,41H2,1-2H3,(H,44,45)/t38-/m1/s1	CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN
9RRF	Y01	InChI=1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1	CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C
9RRF	YZY	InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,35,38H,3-16,19-34H2,1-2H3/b18-17-/t35-/m0/s1	CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCCC
9RRF	ZN	InChI=1S/Zn/q+2	[Zn+2]
9RRM	A1L55	InChI=1S/C26H34O6/c1-16(2)26-14-20(30-22(29)15-27)25(4,32-26)19-12-10-17(3)23(19)24(26)31-21(28)13-11-18-8-6-5-7-9-18/h5-9,11,13,16-17,19-20,23-24,27H,10,12,14-15H2,1-4H3/b13-11+/t17-,19-,20-,23-,24+,25+,26-/m1/s1	C[C@@H]1CC[C@@H]2[C@@H]1[C@@H]([C@@]3(C[C@H]([C@]2(O3)C)OC(=O)CO)C(C)C)OC(=O)/C=C/c4ccccc4
9RRM	CA	InChI=1S/Ca/q+2	[Ca+2]
9RRM	PTY	InChI=1S/C40H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h38H,3-37,41H2,1-2H3,(H,44,45)/t38-/m1/s1	CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN
9RRM	Y01	InChI=1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1	CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C
9RRM	ZN	InChI=1S/Zn/q+2	[Zn+2]
9RRN	A1L55	InChI=1S/C26H34O6/c1-16(2)26-14-20(30-22(29)15-27)25(4,32-26)19-12-10-17(3)23(19)24(26)31-21(28)13-11-18-8-6-5-7-9-18/h5-9,11,13,16-17,19-20,23-24,27H,10,12,14-15H2,1-4H3/b13-11+/t17-,19-,20-,23-,24+,25+,26-/m1/s1	C[C@@H]1CC[C@@H]2[C@@H]1[C@@H]([C@@]3(C[C@H]([C@]2(O3)C)OC(=O)CO)C(C)C)OC(=O)/C=C/c4ccccc4
9RRN	PTY	InChI=1S/C40H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h38H,3-37,41H2,1-2H3,(H,44,45)/t38-/m1/s1	CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN
9RRN	Y01	InChI=1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1	CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C
9RRN	ZN	InChI=1S/Zn/q+2	[Zn+2]
9RRO	A1L55	InChI=1S/C26H34O6/c1-16(2)26-14-20(30-22(29)15-27)25(4,32-26)19-12-10-17(3)23(19)24(26)31-21(28)13-11-18-8-6-5-7-9-18/h5-9,11,13,16-17,19-20,23-24,27H,10,12,14-15H2,1-4H3/b13-11+/t17-,19-,20-,23-,24+,25+,26-/m1/s1	C[C@@H]1CC[C@@H]2[C@@H]1[C@@H]([C@@]3(C[C@H]([C@]2(O3)C)OC(=O)CO)C(C)C)OC(=O)/C=C/c4ccccc4
9RRO	CA	InChI=1S/Ca/q+2	[Ca+2]
9RRO	PTY	InChI=1S/C40H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h38H,3-37,41H2,1-2H3,(H,44,45)/t38-/m1/s1	CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN
9RRO	Y01	InChI=1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1	CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C
9RRO	ZN	InChI=1S/Zn/q+2	[Zn+2]
9RRQ	A1L55	InChI=1S/C26H34O6/c1-16(2)26-14-20(30-22(29)15-27)25(4,32-26)19-12-10-17(3)23(19)24(26)31-21(28)13-11-18-8-6-5-7-9-18/h5-9,11,13,16-17,19-20,23-24,27H,10,12,14-15H2,1-4H3/b13-11+/t17-,19-,20-,23-,24+,25+,26-/m1/s1	C[C@@H]1CC[C@@H]2[C@@H]1[C@@H]([C@@]3(C[C@H]([C@]2(O3)C)OC(=O)CO)C(C)C)OC(=O)/C=C/c4ccccc4
9RRQ	CA	InChI=1S/Ca/q+2	[Ca+2]
9RRQ	PTY	InChI=1S/C40H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h38H,3-37,41H2,1-2H3,(H,44,45)/t38-/m1/s1	CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN
9RRQ	Y01	InChI=1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1	CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C
9RRQ	YZY	InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,35,38H,3-16,19-34H2,1-2H3/b18-17-/t35-/m0/s1	CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCCC
9RRQ	ZN	InChI=1S/Zn/q+2	[Zn+2]
9RRU	ZN	InChI=1S/Zn/q+2	[Zn+2]
9RSG	ZN	InChI=1S/Zn/q+2	[Zn+2]
9RSH	ZN	InChI=1S/Zn/q+2	[Zn+2]
9RU7	C	InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1	C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
9RU7	HYG	InChI=1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3/t5-,6+,7+,8-,9+,10-,11+,12-,13-,14+,15-,16+,17-,18-,19+,20-/m1/s1	CN[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]2[C@H]3[C@H](C([C@H](O2)CO)O)O[C@@]4(O3)[C@@H]([C@@H]([C@H]([C@@H](O4)[C@H](CO)N)O)O)O)O)N
9RU7	K	InChI=1S/K/q+1	[K+]
9RU7	MG	InChI=1S/Mg/q+2	[Mg+2]
9RU7	NA	InChI=1S/Na/q+1	[Na+]
9RU7	ZN	InChI=1S/Zn/q+2	[Zn+2]
9RUC	HYG	InChI=1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3/t5-,6+,7+,8-,9+,10-,11+,12-,13-,14+,15-,16+,17-,18-,19+,20-/m1/s1	CN[C@H]1C[C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]2[C@H]3[C@H](C([C@H](O2)CO)O)O[C@@]4(O3)[C@@H]([C@@H]([C@H]([C@@H](O4)[C@H](CO)N)O)O)O)O)N
9RUC	K	InChI=1S/K/q+1	[K+]
9RUC	MG	InChI=1S/Mg/q+2	[Mg+2]
9RUC	NA	InChI=1S/Na/q+1	[Na+]
9RUC	SPD	InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2	C(CCNCCCN)CN
9RUC	ZN	InChI=1S/Zn/q+2	[Zn+2]
9RVV	A1L55	InChI=1S/C26H34O6/c1-16(2)26-14-20(30-22(29)15-27)25(4,32-26)19-12-10-17(3)23(19)24(26)31-21(28)13-11-18-8-6-5-7-9-18/h5-9,11,13,16-17,19-20,23-24,27H,10,12,14-15H2,1-4H3/b13-11+/t17-,19-,20-,23-,24+,25+,26-/m1/s1	C[C@@H]1CC[C@@H]2[C@@H]1[C@@H]([C@@]3(C[C@H]([C@]2(O3)C)OC(=O)CO)C(C)C)OC(=O)/C=C/c4ccccc4
9RVV	CA	InChI=1S/Ca/q+2	[Ca+2]
9RVV	Y01	InChI=1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1	CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C
9RVV	YZY	InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,35,38H,3-16,19-34H2,1-2H3/b18-17-/t35-/m0/s1	CCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCCC
9RVV	ZN	InChI=1S/Zn/q+2	[Zn+2]
9S2X	ACT	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	CC(=O)[O-]
9S2X	CA	InChI=1S/Ca/q+2	[Ca+2]
9S2X	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9S2X	NA	InChI=1S/Na/q+1	[Na+]
9S2X	ZN	InChI=1S/Zn/q+2	[Zn+2]
9SGF	PO4	InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3	[O-]P(=O)([O-])[O-]
9SGF	U56	InChI=1S/C9H13N3O6/c13-3-4-6(14)7(15)8(18-4)12-2-1-5(11-17)10-9(12)16/h1-2,4,6-8,13-15,17H,3H2,(H,10,11,16)/t4-,6-,7-,8-/m1/s1	C1=CN(C(=O)N=C1NO)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
9SGG	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
9SGG	MG	InChI=1S/Mg/q+2	[Mg+2]
9SGG	U56	InChI=1S/C9H13N3O6/c13-3-4-6(14)7(15)8(18-4)12-2-1-5(11-17)10-9(12)16/h1-2,4,6-8,13-15,17H,3H2,(H,10,11,16)/t4-,6-,7-,8-/m1/s1	C1=CN(C(=O)N=C1NO)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
9SIG	FE	InChI=1S/Fe/q+3	[Fe+3]
9SIH	FE2	InChI=1S/Fe/q+2	[Fe+2]
9SJP	2AN	InChI=1S/C16H13NO3S/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13/h1-11,17H,(H,18,19,20)	c1ccc(cc1)Nc2cccc3c2c(ccc3)S(=O)(=O)O
9SJP	ANL	InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2	c1ccc(cc1)N
9SMX	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
9SQ2	BCN	InChI=1S/C6H13NO4/c8-3-1-7(2-4-9)5-6(10)11/h8-9H,1-5H2,(H,10,11)	C(CO)N(CCO)CC(=O)O
9SQ2	URA	InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)	C1=CNC(=O)NC1=O
9SRD	MG	InChI=1S/Mg/q+2	[Mg+2]
9SRD	ZN	InChI=1S/Zn/q+2	[Zn+2]
9ST8	MG	InChI=1S/Mg/q+2	[Mg+2]
9ST8	PEG	InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2	C(COCCO)O
9SZW	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
9T46	ACT	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	CC(=O)[O-]
9T54	FEC	InChI=1S/C36H38N4O8.Fe/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29;/h13-16H,5-12H2,1-4H3,(H6,37,38,39,40,41,42,43,44,45,46,47,48);/q;+4/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;	Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe@]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)CCC(=O)O)C)C(=C3C)CCC(=O)O
9TCD	FE	InChI=1S/Fe/q+3	[Fe+3]
9TCE	FE2	InChI=1S/Fe/q+2	[Fe+2]
9TEW	ZN	InChI=1S/Zn/q+2	[Zn+2]
9TEX	ZN	InChI=1S/Zn/q+2	[Zn+2]
9TEZ	MG	InChI=1S/Mg/q+2	[Mg+2]
9TEZ	SPM	InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2	C(CCNCCCN)CNCCCN
9TEZ	ZN	InChI=1S/Zn/q+2	[Zn+2]
9THX	PEG	InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2	C(COCCO)O
9TIA	CA	InChI=1S/Ca/q+2	[Ca+2]
9TIA	PGE	InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2	C(COCCOCCO)O
9TJQ	CA	InChI=1S/Ca/q+2	[Ca+2]
9TJQ	PGE	InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2	C(COCCOCCO)O
9TNG	ACT	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	CC(=O)[O-]
9TSM	8VI	InChI=1S/C24H31N5O3/c1-6-28(23(30)17-9-7-8-10-22(17)32-5)20-13-18-19(27(4)24(31)26(18)3)14-21(20)29-12-11-25-15-16(29)2/h7-10,13-14,16,25H,6,11-12,15H2,1-5H3/t16-/m1/s1	CCN(c1cc2c(cc1N3CCNC[C@H]3C)N(C(=O)N2C)C)C(=O)c4ccccc4OC
9TSM	BU3	InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1	C[C@H]([C@@H](C)O)O
9TSM	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
9TSN	BU3	InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1	C[C@H]([C@@H](C)O)O
9TSN	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
9TSN	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
9TXE	FES	InChI=1S/2Fe.2S	S1[Fe]S[Fe]1
9TXO	FES	InChI=1S/2Fe.2S	S1[Fe]S[Fe]1
9TXQ	FES	InChI=1S/2Fe.2S	S1[Fe]S[Fe]1
9TYE	A1JX9	InChI=1S/C9H9O4P/c1-12-8-3-2-7-4-5-14(10,11)13-9(7)6-8/h2-6H,1H3,(H,10,11)	COc1ccc2c(c1)OP(=O)(C=C2)O
9TYE	ZN	InChI=1S/Zn/q+2	[Zn+2]
9UFB	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
9UFB	CU	InChI=1S/Cu/q+2	[Cu+2]
9UFB	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
9UFB	HEO	InChI=1S/C49H60N4O5.Fe/c1-10-35-31(6)40-26-45-49(46(54)19-13-18-30(5)17-12-16-29(4)15-11-14-28(2)3)34(9)41(53-45)24-38-32(7)36(20-22-47(55)56)43(51-38)27-44-37(21-23-48(57)58)33(8)39(52-44)25-42(35)50-40;/h10,14,16,18,24-27,46,54H,1,11-13,15,17,19-23H2,2-9H3,(H4,50,51,52,53,55,56,57,58);/q;+4/p-2/b29-16+,30-18-,38-24-,39-25-,40-26-,41-24-,42-25-,43-27-,44-27-,45-26-;/t46-;/m0./s1	Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C=C)C)C(=C3C)[C@H](CC/C=C(/C)\CCC=C(C)CCC=C(C)C)O
9UFB	UQ8	InChI=1S/C49H74O4/c1-36(2)20-13-21-37(3)22-14-23-38(4)24-15-25-39(5)26-16-27-40(6)28-17-29-41(7)30-18-31-42(8)32-19-33-43(9)34-35-45-44(10)46(50)48(52-11)49(53-12)47(45)51/h20,22,24,26,28,30,32,34H,13-19,21,23,25,27,29,31,33,35H2,1-12H3/b37-22+,38-24+,39-26+,40-28+,41-30+,42-32+,43-34+	CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C
9UFV	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
9UFV	CU	InChI=1S/Cu/q+2	[Cu+2]
9UFV	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
9UFV	HEO	InChI=1S/C49H60N4O5.Fe/c1-10-35-31(6)40-26-45-49(46(54)19-13-18-30(5)17-12-16-29(4)15-11-14-28(2)3)34(9)41(53-45)24-38-32(7)36(20-22-47(55)56)43(51-38)27-44-37(21-23-48(57)58)33(8)39(52-44)25-42(35)50-40;/h10,14,16,18,24-27,46,54H,1,11-13,15,17,19-23H2,2-9H3,(H4,50,51,52,53,55,56,57,58);/q;+4/p-2/b29-16+,30-18-,38-24-,39-25-,40-26-,41-24-,42-25-,43-27-,44-27-,45-26-;/t46-;/m0./s1	Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C=C)C)C(=C3C)[C@H](CC/C=C(/C)\CCC=C(C)CCC=C(C)C)O
9UFV	LMG	InChI=1S/C45H86O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39,42-46,49-51H,3-37H2,1-2H3/t38-,39-,42+,43+,44-,45-/m1/s1	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC
9UFV	UQ8	InChI=1S/C49H74O4/c1-36(2)20-13-21-37(3)22-14-23-38(4)24-15-25-39(5)26-16-27-40(6)28-17-29-41(7)30-18-31-42(8)32-19-33-43(9)34-35-45-44(10)46(50)48(52-11)49(53-12)47(45)51/h20,22,24,26,28,30,32,34H,13-19,21,23,25,27,29,31,33,35H2,1-12H3/b37-22+,38-24+,39-26+,40-28+,41-30+,42-32+,43-34+	CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C
9UFW	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
9UFW	CU	InChI=1S/Cu/q+2	[Cu+2]
9UFW	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
9UFW	HEO	InChI=1S/C49H60N4O5.Fe/c1-10-35-31(6)40-26-45-49(46(54)19-13-18-30(5)17-12-16-29(4)15-11-14-28(2)3)34(9)41(53-45)24-38-32(7)36(20-22-47(55)56)43(51-38)27-44-37(21-23-48(57)58)33(8)39(52-44)25-42(35)50-40;/h10,14,16,18,24-27,46,54H,1,11-13,15,17,19-23H2,2-9H3,(H4,50,51,52,53,55,56,57,58);/q;+4/p-2/b29-16+,30-18-,38-24-,39-25-,40-26-,41-24-,42-25-,43-27-,44-27-,45-26-;/t46-;/m0./s1	Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C=C)C)C(=C3C)[C@H](CC/C=C(/C)\CCC=C(C)CCC=C(C)C)O
9UFW	LMG	InChI=1S/C45H86O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39,42-46,49-51H,3-37H2,1-2H3/t38-,39-,42+,43+,44-,45-/m1/s1	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC
9UFW	UQ8	InChI=1S/C49H74O4/c1-36(2)20-13-21-37(3)22-14-23-38(4)24-15-25-39(5)26-16-27-40(6)28-17-29-41(7)30-18-31-42(8)32-19-33-43(9)34-35-45-44(10)46(50)48(52-11)49(53-12)47(45)51/h20,22,24,26,28,30,32,34H,13-19,21,23,25,27,29,31,33,35H2,1-12H3/b37-22+,38-24+,39-26+,40-28+,41-30+,42-32+,43-34+	CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C
9UFZ	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
9UFZ	CU	InChI=1S/Cu/q+2	[Cu+2]
9UFZ	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
9UFZ	HEO	InChI=1S/C49H60N4O5.Fe/c1-10-35-31(6)40-26-45-49(46(54)19-13-18-30(5)17-12-16-29(4)15-11-14-28(2)3)34(9)41(53-45)24-38-32(7)36(20-22-47(55)56)43(51-38)27-44-37(21-23-48(57)58)33(8)39(52-44)25-42(35)50-40;/h10,14,16,18,24-27,46,54H,1,11-13,15,17,19-23H2,2-9H3,(H4,50,51,52,53,55,56,57,58);/q;+4/p-2/b29-16+,30-18-,38-24-,39-25-,40-26-,41-24-,42-25-,43-27-,44-27-,45-26-;/t46-;/m0./s1	Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C=C)C)C(=C3C)[C@H](CC/C=C(/C)\CCC=C(C)CCC=C(C)C)O
9UFZ	LMG	InChI=1S/C45H86O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39,42-46,49-51H,3-37H2,1-2H3/t38-,39-,42+,43+,44-,45-/m1/s1	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC
9UFZ	UQ8	InChI=1S/C49H74O4/c1-36(2)20-13-21-37(3)22-14-23-38(4)24-15-25-39(5)26-16-27-40(6)28-17-29-41(7)30-18-31-42(8)32-19-33-43(9)34-35-45-44(10)46(50)48(52-11)49(53-12)47(45)51/h20,22,24,26,28,30,32,34H,13-19,21,23,25,27,29,31,33,35H2,1-12H3/b37-22+,38-24+,39-26+,40-28+,41-30+,42-32+,43-34+	CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C
9UUW	MET	InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1	CSCC[C@@H](C(=O)O)N
9UVK	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
9UVN	U5P	InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1	C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
9UVO	PO4	InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3	[O-]P(=O)([O-])[O-]
9UVO	UDP	InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1	C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O
9UVP	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
9UVP	PO4	InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3	[O-]P(=O)([O-])[O-]
9UVP	U5P	InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1	C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
9UYA	CA	InChI=1S/Ca/q+2	[Ca+2]
9UYA	FE	InChI=1S/Fe/q+3	[Fe+3]
9UYA	PO4	InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3	[O-]P(=O)([O-])[O-]
9VA1	TRP	InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1	c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N
9VA2	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
9VA2	PHE	InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1	c1ccc(cc1)C[C@@H](C(=O)O)N
9VFZ	G1P	InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1	C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)O)O
9VFZ	MG	InChI=1S/Mg/q+2	[Mg+2]
9VG2	PO4	InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3	[O-]P(=O)([O-])[O-]
9VG8	MG	InChI=1S/Mg/q+2	[Mg+2]
9VGA	MN	InChI=1S/Mn/q+2	[Mn+2]
9VMG	SPM	InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2	C(CCNCCCN)CNCCCN
9VPG	A1ETZ	InChI=1S/C20H19N3O3/c1-12(2)21-17(25)11-8-13-4-3-5-16-18(13)22-19(23-20(16)26)14-6-9-15(24)10-7-14/h3-12,24H,1-2H3,(H,21,25)(H,22,23,26)/b11-8+	CC(C)NC(=O)/C=C/c1cccc2c1N=C(NC2=O)c3ccc(cc3)O
9VQ4	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
9VQ4	DGL	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1	C(CC(=O)O)[C@H](C(=O)O)N
9VQ4	ZN	InChI=1S/Zn/q+2	[Zn+2]
9VQJ	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
9VQJ	GLU	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	C(CC(=O)O)[C@@H](C(=O)O)N
9VQJ	ZN	InChI=1S/Zn/q+2	[Zn+2]
9VR2	A1BX4	InChI=1S/C6H14N2O3/c7-5(6(9)10)3-1-2-4-8-11/h5,8,11H,1-4,7H2,(H,9,10)/t5-/m0/s1	C(CCNO)C[C@@H](C(=O)O)N
9VR2	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
9VR2	GLU	InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1	C(CC(=O)O)[C@@H](C(=O)O)N
9VR2	ZN	InChI=1S/Zn/q+2	[Zn+2]
9VS4	SVR	InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)	Cc1ccc(cc1NC(=O)c2cccc(c2)NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6c5c(cc(c6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)Nc7ccc(c8c7c(cc(c8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O
9W1E	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
9W1E	MG	InChI=1S/Mg/q+2	[Mg+2]
9W1E	ZN	InChI=1S/Zn/q+2	[Zn+2]
9W1F	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
9W1F	MG	InChI=1S/Mg/q+2	[Mg+2]
9W1F	ZN	InChI=1S/Zn/q+2	[Zn+2]
9W1G	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
9W1G	MG	InChI=1S/Mg/q+2	[Mg+2]
9W1G	ZN	InChI=1S/Zn/q+2	[Zn+2]
9W1H	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
9W1H	MG	InChI=1S/Mg/q+2	[Mg+2]
9W1H	ZN	InChI=1S/Zn/q+2	[Zn+2]
9W1I	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
9W1I	MG	InChI=1S/Mg/q+2	[Mg+2]
9W1I	ZN	InChI=1S/Zn/q+2	[Zn+2]
9WMH	CA	InChI=1S/Ca/q+2	[Ca+2]
9Y0T	ACT	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	CC(=O)[O-]
9Y0T	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9Y0T	NA	InChI=1S/Na/q+1	[Na+]
9Y0T	Q87	InChI=1S/C12H18N4O7/c1-5(18)2-13-8-10(15-12(23)16-11(8)22)14-3-6(19)9(21)7(20)4-17/h2,6-7,9,17,19-21H,3-4H2,1H3,(H3,14,15,16,22,23)/b13-2+/t6-,7+,9-/m0/s1	CC(=O)/C=N/C1=C(NC(=O)NC1=O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O
9Y0U	ACY	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)	CC(=O)O
9Y0U	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9Y0U	NA	InChI=1S/Na/q+1	[Na+]
9Y0U	Q87	InChI=1S/C12H18N4O7/c1-5(18)2-13-8-10(15-12(23)16-11(8)22)14-3-6(19)9(21)7(20)4-17/h2,6-7,9,17,19-21H,3-4H2,1H3,(H3,14,15,16,22,23)/b13-2+/t6-,7+,9-/m0/s1	CC(=O)/C=N/C1=C(NC(=O)NC1=O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O
9Y0W	NA	InChI=1S/Na/q+1	[Na+]
9Y0W	Q87	InChI=1S/C12H18N4O7/c1-5(18)2-13-8-10(15-12(23)16-11(8)22)14-3-6(19)9(21)7(20)4-17/h2,6-7,9,17,19-21H,3-4H2,1H3,(H3,14,15,16,22,23)/b13-2+/t6-,7+,9-/m0/s1	CC(=O)/C=N/C1=C(NC(=O)NC1=O)NC[C@@H]([C@@H]([C@@H](CO)O)O)O
9YKR	A1CXM	InChI=1S/C20H24FN5O/c1-12-10-16(22-2)26-20(24-12)25-15-11-14-6-9-27-19(14)17(18(15)21)13-4-3-7-23-8-5-13/h5,10-11,23H,3-4,6-9H2,1-2H3,(H2,22,24,25,26)	Cc1cc(nc(n1)Nc2cc3c(c(c2F)C4=CCNCCC4)OCC3)NC
9YKR	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
9YKR	PEG	InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2	C(COCCO)O
9YKR	SAM	InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1	C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
9YKR	ZN	InChI=1S/Zn/q+2	[Zn+2]
9YKS	A1CXM	InChI=1S/C20H24FN5O/c1-12-10-16(22-2)26-20(24-12)25-15-11-14-6-9-27-19(14)17(18(15)21)13-4-3-7-23-8-5-13/h5,10-11,23H,3-4,6-9H2,1-2H3,(H2,22,24,25,26)	Cc1cc(nc(n1)Nc2cc3c(c(c2F)C4=CCNCCC4)OCC3)NC
9YKS	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
9YKS	SAM	InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1	C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
9YKS	ZN	InChI=1S/Zn/q+2	[Zn+2]
9YRS	PO4	InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3	[O-]P(=O)([O-])[O-]
9YYU	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
9YYV	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
9Z1M	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
9Z3K	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
9ZDV	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZF2	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZF3	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZF5	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZF9	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZFC	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZFD	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZGM	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZGN	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZGO	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZGP	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZGQ	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZGR	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZGS	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZGT	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZGU	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZGV	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZGW	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZGX	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZGY	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZGZ	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZH0	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZH1	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZH2	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZH5	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZH7	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZH9	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZHA	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZHB	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZHC	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZHD	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZHE	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZHF	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZHG	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZHI	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZHJ	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZHK	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZHL	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZHO	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZHP	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZHR	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZHS	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZHT	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZHU	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZHV	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZHW	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZHX	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZHZ	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZI0	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZI2	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZI3	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZI4	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZI5	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZI6	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZI7	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZI8	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZI9	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZIB	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZIC	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZID	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZIE	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZIF	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZIG	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZIH	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZII	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZIJ	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZIK	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZIL	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZIM	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZIN	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZIU	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZIV	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZIW	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZIX	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZIY	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZIZ	MG	InChI=1S/Mg/q+2	[Mg+2]
9ZSC	ZN	InChI=1S/Zn/q+2	[Zn+2]
9ZSH	COA	InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1	CC(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)[C@H](C(=O)NCCC(=O)NCCS)O
9ZSH	ZN	InChI=1S/Zn/q+2	[Zn+2]
9ZSN	A1C39	InChI=1S/C6H9O7P/c1-3(7)5(6(9)10)4(8)2-14(11,12)13/h5H,2H2,1H3,(H,9,10)(H2,11,12,13)/t5-/m1/s1	CC(=O)[C@H](C(=O)CP(=O)(O)O)C(=O)O
9ZSN	COA	InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1	CC(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)[C@H](C(=O)NCCC(=O)NCCS)O
9ZSN	ZN	InChI=1S/Zn/q+2	[Zn+2]
9ZSV	A1C39	InChI=1S/C6H9O7P/c1-3(7)5(6(9)10)4(8)2-14(11,12)13/h5H,2H2,1H3,(H,9,10)(H2,11,12,13)/t5-/m1/s1	CC(=O)[C@H](C(=O)CP(=O)(O)O)C(=O)O
9ZSV	COA	InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1	CC(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)[C@H](C(=O)NCCC(=O)NCCS)O
9ZSV	ZN	InChI=1S/Zn/q+2	[Zn+2]
9ZW5	MN	InChI=1S/Mn/q+2	[Mn+2]
9ZW5	PO4	InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3	[O-]P(=O)([O-])[O-]