PDB_ID	Component_ID	InChI	SMILES string
10KZ	A1C6O	InChI=1S/C23H20ClFN4O3/c24-17-7-8-18-19(20(17)25)23(32-22(31)27-18)9-4-10-28(14-23)21(30)16-11-26-29(13-16)12-15-5-2-1-3-6-15/h1-3,5-8,11,13H,4,9-10,12,14H2,(H,27,31)/t23-/m0/s1	c1ccc(cc1)Cn2cc(cn2)C(=O)N3CCC[C@]4(C3)c5c(ccc(c5F)Cl)NC(=O)O4
10LR	A1C6Q	InChI=1S/C23H21ClFN5O3/c24-16-7-8-17-18(19(16)25)23(33-22(32)28-17)9-4-10-29(13-23)21(31)15-11-27-30(20(15)26)12-14-5-2-1-3-6-14/h1-3,5-8,11H,4,9-10,12-13,26H2,(H,28,32)/t23-/m0/s1	c1ccc(cc1)Cn2c(c(cn2)C(=O)N3CCC[C@]4(C3)c5c(ccc(c5F)Cl)NC(=O)O4)N
10LR	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-]
10LR	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
10MU	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
10MW	A1C6Z	InChI=1S/C23H18ClF4N5O4/c24-13-6-7-14-17(18(13)25)22(37-21(35)31-14)8-3-9-32(11-22)20(34)12-10-30-33(19(12)29)15-4-1-2-5-16(15)36-23(26,27)28/h1-2,4-7,10H,3,8-9,11,29H2,(H,31,35)/t22-/m0/s1	c1ccc(c(c1)n2c(c(cn2)C(=O)N3CCC[C@]4(C3)c5c(ccc(c5F)Cl)NC(=O)O4)N)OC(F)(F)F
10MW	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-]
10MW	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
10PX	A1C9N	InChI=1S/C52H85BN4O17/c1-15-37-52(10)44(73-49(62)74-52)32(6)57(13)26-28(2)24-50(8,63)43(71-47-41(59)36(56(11)12)23-29(3)67-47)30(4)42(31(5)46(60)69-37)70-39-25-51(9,65-14)45(33(7)68-39)72-48(61)55-22-21-54-38(58)20-19-34-17-16-18-35-27-66-53(64)40(34)35/h16-18,28-33,36-37,39,41-45,47,59,63-64H,15,19-27H2,1-14H3,(H,54,58)(H,55,61)/t28-,29-,30+,31-,32-,33+,36-,37-,39+,41-,42+,43-,44-,45+,47+,50-,51-,52-/m1/s1	B1(c2c(cccc2CCC(=O)NCCNC(=O)O[C@H]3[C@@H](O[C@H](C[C@@]3(C)OC)O[C@H]4[C@@H]([C@H]([C@](C[C@H](CN([C@@H]([C@@H]5[C@@]([C@H](OC(=O)[C@@H]4C)CC)(OC(=O)O5)C)C)C)C)(C)O)O[C@H]6[C@@H]([C@@H](C[C@H](O6)C)N(C)C)O)C)C)CO1)O
10PX	K	InChI=1S/K/q+1	[K+]
10PX	MG	InChI=1S/Mg/q+2	[Mg+2]
10PX	SF4	InChI=1S/4Fe.4S	[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
10PX	ZN	InChI=1S/Zn/q+2	[Zn+2]
10QS	A1C7M	InChI=1S/C20H20ClF4N5O3/c1-2-13(20(23,24)25)30-16(26)10(8-27-30)17(31)29-7-3-6-19(9-29)14-12(28-18(32)33-19)5-4-11(21)15(14)22/h4-5,8,13H,2-3,6-7,9,26H2,1H3,(H,28,32)/t13-,19-/m0/s1	CC[C@@H](C(F)(F)F)n1c(c(cn1)C(=O)N2CCC[C@]3(C2)c4c(ccc(c4F)Cl)NC(=O)O3)N
10QS	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-]
10TU	TAS	InChI=1S/AsH3O3/c2-1(3)4/h2-4H	O[As](O)O
10UA	SBO	InChI=1S/3H2O.Sb/h3*1H2;/q;;;+3/p-3	O[Sb](O)O
11HY	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
11HY	PEF	InChI=1S/C37H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)/t35-/m1/s1	CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC
11IF	CA	InChI=1S/Ca/q+2	[Ca+2]
11IF	PEF	InChI=1S/C37H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)/t35-/m1/s1	CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC
21CN	CA	InChI=1S/Ca/q+2	[Ca+2]
21CQ	CA	InChI=1S/Ca/q+2	[Ca+2]
21JX	A1MC7	InChI=1S/C16H20N4OS/c21-15(19-16-18-8-11-22-16)13-4-3-9-20(12-13)10-6-14-5-1-2-7-17-14/h1-2,5,7-8,11,13H,3-4,6,9-10,12H2,(H,18,19,21)/t13-/m0/s1	c1ccnc(c1)CCN2CCC[C@@H](C2)C(=O)Nc3nccs3
21LN	A1MC9	InChI=1S/C17H21N5O2S/c18-15(23)12-3-5-19-14(10-12)4-8-22-7-1-2-13(11-22)16(24)21-17-20-6-9-25-17/h3,5-6,9-10,13H,1-2,4,7-8,11H2,(H2,18,23)(H,20,21,24)/t13-/m0/s1	c1cnc(cc1C(=O)N)CCN2CCC[C@@H](C2)C(=O)Nc3nccs3
21NJ	A1MDA	InChI=1S/C20H22N4O2S/c25-19(22-16-7-3-8-17-18(16)27-20(26)23-17)14-5-4-11-24(13-14)12-9-15-6-1-2-10-21-15/h1-3,6-8,10,14H,4-5,9,11-13H2,(H,22,25)(H,23,26)/t14-/m0/s1	c1ccnc(c1)CCN2CCC[C@@H](C2)C(=O)Nc3cccc4c3SC(=O)N4
21NL	A1MDB	InChI=1S/C18H22N4O2S/c19-16(23)13-4-1-3-12(9-13)11-21-15-6-2-5-14(10-15)17(24)22-18-20-7-8-25-18/h1,3-4,7-9,14-15,21H,2,5-6,10-11H2,(H2,19,23)(H,20,22,24)/t14-,15+/m0/s1	c1cc(cc(c1)C(=O)N)CN[C@@H]2CCC[C@@H](C2)C(=O)Nc3nccs3
21TQ	A1E26	InChI=1S/C36H51NO11/c1-19-6-11-26-31(3,40)35(43)25(17-37(26)16-19)33(42)18-34-24(32(33,41)15-27(35)38)10-9-23-30(34,2)13-12-28(36(23,44)48-34)47-29(39)20-7-8-21(45-4)22(14-20)46-5/h7-8,14,19,23-28,38,40-44H,6,9-13,15-18H2,1-5H3/t19-,23-,24-,25-,26-,27-,28-,30-,31+,32+,33+,34+,35-,36-/m0/s1	C[C@H]1CC[C@H]2[C@@]([C@]3([C@H](C[C@]4([C@@H]5CC[C@H]6[C@]7([C@]5(C[C@]4([C@@H]3CN2C1)O)O[C@@]6([C@H](CC7)OC(=O)c8ccc(c(c8)OC)OC)O)C)O)O)O)(C)O
21TQ	LPE	InChI=1S/C26H56NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-31-24-26(28)25-33-34(29,30)32-23-21-27(2,3)4/h26,28H,5-25H2,1-4H3/p+1/t26-/m1/s1	CCCCCCCCCCCCCCCCCCOC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)O
21TQ	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
21TQ	P3X	InChI=1S/C35H68NO8P/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-35(38)44-33(32-43-45(39,40)42-30-29-36)31-41-34(37)27-25-23-21-19-17-14-12-10-8-6-4-2/h10,12,33H,3-9,11,13-32,36H2,1-2H3,(H,39,40)/b12-10+/t33-/m1/s1	CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC=CCCCC)COP(=O)(O)OCCN
21TQ	PCW	InChI=1S/C44H84NO8P/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/h20-23,42H,6-19,24-41H2,1-5H3/p+1/b22-20-,23-21-/t42-/m1/s1	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC
21TQ	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
22MJ	A1MDP	InChI=1S/C21H19NO3S/c1-13(2)18-16(14-9-5-3-6-10-14)17(21(24)25)20(26-18)22-19(23)15-11-7-4-8-12-15/h3-13H,1-2H3,(H,22,23)(H,24,25)	CC(C)c1c(c(c(s1)NC(=O)c2ccccc2)C(=O)O)c3ccccc3
22MJ	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
22MJ	MLI	InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2	C(C(=O)[O-])C(=O)[O-]
22TG	A1MDU	InChI=1S/C21H20N4O6S/c1-28-15-5-3-6-16(29-2)20(15)32(26,27)24-21-18-17(31-23-21)11-13(12-25-9-4-8-22-25)14-7-10-30-19(14)18/h3-6,8-9,11H,7,10,12H2,1-2H3,(H,23,24)	COc1cccc(c1S(=O)(=O)Nc2c3c(cc(c4c3OCC4)Cn5cccn5)on2)OC
22YZ	ACT	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	CC(=O)[O-]
22ZA	MG	InChI=1S/Mg/q+2	[Mg+2]
23SI	FER	InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+	COc1cc(ccc1O)\C=C\C(=O)O
23TZ	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
23VY	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
28MR	ACT	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	CC(=O)[O-]
28MR	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
28MR	FE	InChI=1S/Fe/q+3	[Fe+3]
28MR	MLI	InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2	C(C(=O)[O-])C(=O)[O-]
28MR	RU	InChI=1S/Ru/q+3	[Ru+3]
28MS	A1JZ3	InChI=1S/4C2H4O2.2H2O.2Rh/c4*1-2(3)4;;;;/h4*1H3,(H,3,4);2*1H2;;/q;;;;;;2*+5/p-6	CC1=[O+][Rh]234(=[Rh](O1)(OC(=[O+]2)C)([O+]=C(O3)C)([O+]=C(O4)C)O)O
28MS	ACT	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	CC(=O)[O-]
28MS	FE	InChI=1S/Fe/q+3	[Fe+3]
28MS	MLI	InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2	C(C(=O)[O-])C(=O)[O-]
28MS	PEG	InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2	C(COCCO)O
28TM	CA	InChI=1S/Ca/q+2	[Ca+2]
28TM	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
28TN	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
9CDQ	BCT	InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1	C(=O)(O)[O-]
9CDQ	FE	InChI=1S/Fe/q+3	[Fe+3]
9CLT	BCT	InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1	C(=O)(O)[O-]
9CLT	FE	InChI=1S/Fe/q+3	[Fe+3]
9E93	ZN	InChI=1S/Zn/q+2	[Zn+2]
9E9V	ZN	InChI=1S/Zn/q+2	[Zn+2]
9GK0	DMS	InChI=1S/C2H6OS/c1-4(2)3/h1-2H3	CS(=O)C
9GK0	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
9IGT	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
9IGT	FES	InChI=1S/2Fe.2S	S1[Fe]S[Fe]1
9IGT	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
9IGT	MG	InChI=1S/Mg/q+2	[Mg+2]
9IGT	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
9IGT	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
9IGT	ZN	InChI=1S/Zn/q+2	[Zn+2]
9IGU	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
9IGU	FES	InChI=1S/2Fe.2S	S1[Fe]S[Fe]1
9IGU	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
9IGU	MG	InChI=1S/Mg/q+2	[Mg+2]
9IGU	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
9IGU	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
9IGU	ZN	InChI=1S/Zn/q+2	[Zn+2]
9JBT	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
9JBU	AJP	InChI=1S/C56H92O29/c1-19-7-10-56(75-17-19)20(2)31-45(85-56)37(67)32-22-6-5-21-11-26(24(61)12-55(21,4)23(22)8-9-54(31,32)3)76-50-42(72)39(69)44(30(16-60)80-50)81-53-48(47(36(66)29(15-59)79-53)83-49-40(70)33(63)25(62)18-74-49)84-52-43(73)46(35(65)28(14-58)78-52)82-51-41(71)38(68)34(64)27(13-57)77-51/h19-53,57-73H,5-18H2,1-4H3/t19-,20+,21+,22-,23+,24-,25-,26-,27-,28-,29-,30-,31+,32-,33+,34-,35+,36-,37+,38+,39-,40-,41-,42-,43-,44+,45-,46+,47+,48-,49+,50-,51+,52+,53+,54-,55+,56-/m1/s1	C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)[C@H]([C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(C[C@H]([C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O)C)C)O)C)OC1
9JCW	PEF	InChI=1S/C37H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)/t35-/m1/s1	CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC
9JF6	1PG	InChI=1S/C11H24O6/c1-13-4-5-15-8-9-17-11-10-16-7-6-14-3-2-12/h12H,2-11H2,1H3	COCCOCCOCCOCCOCCO
9JF6	A1EBR	InChI=1S/C18H19NO5S2/c1-24-18(21)7-6-17(20)19(14-8-9-26(22,23)12-14)11-15-10-13-4-2-3-5-16(13)25-15/h2-7,10,14H,8-9,11-12H2,1H3/t14-/m1/s1	COC(=O)/C=C\C(=O)N(Cc1cc2ccccc2s1)[C@H]3CCS(=O)(=O)C3
9JFH	A1EBS	InChI=1S/C11H15F2NO3/c1-17-10(16)3-2-9(15)14-8-4-6-11(12,13)7-5-8/h2-3,8H,4-7H2,1H3,(H,14,15)/b3-2-	COC(=O)/C=C\C(=O)NC1CCC(CC1)(F)F
9JFH	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
9JGS	YDL	InChI=1S/C21H32F3N5O5/c1-20(2,3)15(28-19(33)34-4)18(32)29-10-12(21(22,23)24)8-14(29)17(31)27-13(9-25)7-11-5-6-26-16(11)30/h9,11-15,25H,5-8,10H2,1-4H3,(H,26,30)(H,27,31)(H,28,33)/t11-,12+,13-,14-,15+/m0/s1	CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=N)C(F)(F)F)NC(=O)OC
9JGT	YDL	InChI=1S/C21H32F3N5O5/c1-20(2,3)15(28-19(33)34-4)18(32)29-10-12(21(22,23)24)8-14(29)17(31)27-13(9-25)7-11-5-6-26-16(11)30/h9,11-15,25H,5-8,10H2,1-4H3,(H,26,30)(H,27,31)(H,28,33)/t11-,12+,13-,14-,15+/m0/s1	CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=N)C(F)(F)F)NC(=O)OC
9JGU	YDL	InChI=1S/C21H32F3N5O5/c1-20(2,3)15(28-19(33)34-4)18(32)29-10-12(21(22,23)24)8-14(29)17(31)27-13(9-25)7-11-5-6-26-16(11)30/h9,11-15,25H,5-8,10H2,1-4H3,(H,26,30)(H,27,31)(H,28,33)/t11-,12+,13-,14-,15+/m0/s1	CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=N)C(F)(F)F)NC(=O)OC
9JGV	YDL	InChI=1S/C21H32F3N5O5/c1-20(2,3)15(28-19(33)34-4)18(32)29-10-12(21(22,23)24)8-14(29)17(31)27-13(9-25)7-11-5-6-26-16(11)30/h9,11-15,25H,5-8,10H2,1-4H3,(H,26,30)(H,27,31)(H,28,33)/t11-,12+,13-,14-,15+/m0/s1	CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=N)C(F)(F)F)NC(=O)OC
9JGW	YDL	InChI=1S/C21H32F3N5O5/c1-20(2,3)15(28-19(33)34-4)18(32)29-10-12(21(22,23)24)8-14(29)17(31)27-13(9-25)7-11-5-6-26-16(11)30/h9,11-15,25H,5-8,10H2,1-4H3,(H,26,30)(H,27,31)(H,28,33)/t11-,12+,13-,14-,15+/m0/s1	CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=N)C(F)(F)F)NC(=O)OC
9JGX	YDL	InChI=1S/C21H32F3N5O5/c1-20(2,3)15(28-19(33)34-4)18(32)29-10-12(21(22,23)24)8-14(29)17(31)27-13(9-25)7-11-5-6-26-16(11)30/h9,11-15,25H,5-8,10H2,1-4H3,(H,26,30)(H,27,31)(H,28,33)/t11-,12+,13-,14-,15+/m0/s1	CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=N)C(F)(F)F)NC(=O)OC
9JGY	YDL	InChI=1S/C21H32F3N5O5/c1-20(2,3)15(28-19(33)34-4)18(32)29-10-12(21(22,23)24)8-14(29)17(31)27-13(9-25)7-11-5-6-26-16(11)30/h9,11-15,25H,5-8,10H2,1-4H3,(H,26,30)(H,27,31)(H,28,33)/t11-,12+,13-,14-,15+/m0/s1	CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=N)C(F)(F)F)NC(=O)OC
9JPM	MG	InChI=1S/Mg/q+2	[Mg+2]
9JPM	ZN	InChI=1S/Zn/q+2	[Zn+2]
9JPO	MG	InChI=1S/Mg/q+2	[Mg+2]
9JPO	ZN	InChI=1S/Zn/q+2	[Zn+2]
9JPP	MG	InChI=1S/Mg/q+2	[Mg+2]
9JPP	ZN	InChI=1S/Zn/q+2	[Zn+2]
9JQ2	MG	InChI=1S/Mg/q+2	[Mg+2]
9JQ2	ZN	InChI=1S/Zn/q+2	[Zn+2]
9L3Q	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
9LHP	A1LYG	InChI=1S/C13H16O4/c1-7-3-9(12(17-2)6-11(7)14)4-8-5-10(8)13(15)16/h3,6,8,10,14H,4-5H2,1-2H3,(H,15,16)/t8-,10+/m1/s1	Cc1cc(c(cc1O)OC)C[C@@H]2C[C@@H]2C(=O)O
9LRO	A1ELI	InChI=1S/C15H18BrN7/c1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9/h6-9,18H,2-5,17H2,1H3/t9-/m0/s1	Cn1cc(cn1)c2cnn3c2nc(c(c3N)Br)[C@H]4CCCNC4
9LRO	MG	InChI=1S/Mg/q+2	[Mg+2]
9LRO	ZN	InChI=1S/Zn/q+2	[Zn+2]
9LRP	A1ELB	InChI=1S/C14H17BrN8O2/c1-22-7-8(5-18-22)9-6-19-23-12(16)11(15)13(20-14(9)23)17-4-2-3-10(24)21-25/h5-7,25H,2-4,16H2,1H3,(H,17,20)(H,21,24)	Cn1cc(cn1)c2cnn3c2nc(c(c3N)Br)NCCCC(=O)NO
9LRP	MG	InChI=1S/Mg/q+2	[Mg+2]
9LRP	ZN	InChI=1S/Zn/q+2	[Zn+2]
9M3Q	SPD	InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2	C(CCNCCCN)CN
9M3S	HSM	InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)	c1c(nc[nH]1)CCN
9M40	AG2	InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)	C(CCNC(=N)N)CN
9M5C	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
9M5C	MG	InChI=1S/Mg/q+2	[Mg+2]
9M5I	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
9M5I	NA	InChI=1S/Na/q+1	[Na+]
9M5J	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
9M5J	NA	InChI=1S/Na/q+1	[Na+]
9M5W	MTA	InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1	CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
9M5W	PEG	InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2	C(COCCO)O
9M5W	PO4	InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3	[O-]P(=O)([O-])[O-]
9M5Z	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
9M5Z	MG	InChI=1S/Mg/q+2	[Mg+2]
9M62	CU	InChI=1S/Cu/q+2	[Cu+2]
9M62	PO4	InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3	[O-]P(=O)([O-])[O-]
9M6N	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
9M6N	NA	InChI=1S/Na/q+1	[Na+]
9M6W	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
9M6W	MG	InChI=1S/Mg/q+2	[Mg+2]
9M6Z	NI	InChI=1S/Ni/q+2	[Ni+2]
9M6Z	OXN	InChI=1S/C34H62O11/c1-33(2,3)30-34(4,5)31-6-8-32(9-7-31)45-29-28-44-27-26-43-25-24-42-23-22-41-21-20-40-19-18-39-17-16-38-15-14-37-13-12-36-11-10-35/h6-9,35H,10-30H2,1-5H3	CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
9M70	ZN	InChI=1S/Zn/q+2	[Zn+2]
9M76	ZN	InChI=1S/Zn/q+2	[Zn+2]
9M77	ZN	InChI=1S/Zn/q+2	[Zn+2]
9M7A	CYS	InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1	C([C@@H](C(=O)O)N)S
9MAS	A1ENM	InChI=1S/C13H14BN2O6/c1-8-4-15-16(5-8)6-9-2-3-10-12(11(9)13(17)18)22-14(19,20)7-21-10/h2-5,19-20H,6-7H2,1H3,(H,17,18)/q-1	[B-]1(COc2ccc(c(c2O1)C(=O)O)Cn3cc(cn3)C)(O)O
9MAS	FMT	InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)	C(=O)O
9MAS	ZN	InChI=1S/Zn/q+2	[Zn+2]
9MB4	A1ENL	InChI=1S/C15H13BN3O6S/c20-15(21)13-9(3-4-11-14(13)25-16(22,23)8-24-11)6-19-7-10(17-18-19)12-2-1-5-26-12/h1-5,7,22-23H,6,8H2,(H,20,21)/q-1	[B-]1(COc2ccc(c(c2O1)C(=O)O)Cn3cc(nn3)c4cccs4)(O)O
9MB4	ZN	InChI=1S/Zn/q+2	[Zn+2]
9MCS	OAA	InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)/p-1	C(C(=O)C(=O)O)C(=O)[O-]
9MCT	AKG	InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)	C(CC(=O)O)C(=O)C(=O)O
9MCU	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
9MCV	LMR	InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1	C([C@@H](C(=O)O)O)C(=O)O
9MCV	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
9MIM	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9MIM	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
9MIM	OW4	InChI=1S/C8H9NO2/c1-9-7-4-2-3-6(5-7)8(10)11/h2-5,9H,1H3,(H,10,11)	CNc1cccc(c1)C(=O)O
9MIO	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9MIO	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
9MIO	OW4	InChI=1S/C8H9NO2/c1-9-7-4-2-3-6(5-7)8(10)11/h2-5,9H,1H3,(H,10,11)	CNc1cccc(c1)C(=O)O
9MJE	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9MJE	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
9MJE	OW4	InChI=1S/C8H9NO2/c1-9-7-4-2-3-6(5-7)8(10)11/h2-5,9H,1H3,(H,10,11)	CNc1cccc(c1)C(=O)O
9MJF	ANN	InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)	COc1ccc(cc1)C(=O)O
9MJF	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9MJF	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
9MJJ	ANN	InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)	COc1ccc(cc1)C(=O)O
9MJJ	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9MJJ	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
9MJK	ANN	InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)	COc1ccc(cc1)C(=O)O
9MJK	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
9NCY	PEG	InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2	C(COCCO)O
9NDR	ACT	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	CC(=O)[O-]
9NDR	CA	InChI=1S/Ca/q+2	[Ca+2]
9NDR	CU	InChI=1S/Cu/q+2	[Cu+2]
9NDU	FE	InChI=1S/Fe/q+3	[Fe+3]
9NDU	HLZ	InChI=1S/C8H8N4/c9-11-8-7-4-2-1-3-6(7)5-10-12-8/h1-5H,9H2,(H,11,12)	c1ccc2c(c1)cnnc2NN
9NEH	ACT	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	CC(=O)[O-]
9NEH	CA	InChI=1S/Ca/q+2	[Ca+2]
9NEH	CU	InChI=1S/Cu/q+2	[Cu+2]
9NEQ	UQ4	InChI=1S/C9H8N4O5/c14-7(15)3-4-10-5-1-2-6(13(16)17)9-8(5)11-18-12-9/h1-2,10H,3-4H2,(H,14,15)	c1cc(c2c(c1NCCC(=O)O)non2)N(=O)=O
9NJ0	A1BYH	InChI=1S/C18H28O2/c19-16-12-7-5-3-1-2-4-6-8-13-17-20-18-14-10-9-11-15-18/h7,9-12,14-15,19H,1-6,8,13,16-17H2	c1ccc(cc1)OCCCCCCCCC/C=C/CO
9NJ0	MG	InChI=1S/Mg/q+2	[Mg+2]
9NJ0	TRT	InChI=1S/C21H36O4/c1-20(2,3)17-21(4,5)18-7-9-19(10-8-18)25-16-15-24-14-13-23-12-11-22-6/h7-10H,11-17H2,1-6H3	CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC
9NJ1	A1BYH	InChI=1S/C18H28O2/c19-16-12-7-5-3-1-2-4-6-8-13-17-20-18-14-10-9-11-15-18/h7,9-12,14-15,19H,1-6,8,13,16-17H2	c1ccc(cc1)OCCCCCCCCC/C=C/CO
9NJ1	MG	InChI=1S/Mg/q+2	[Mg+2]
9NJ1	TON	InChI=1S/C18H30O3/c1-17(2,3)14-18(4,5)15-6-8-16(9-7-15)21-13-12-20-11-10-19/h6-9,19H,10-14H2,1-5H3	CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCO
9NJ1	TRT	InChI=1S/C21H36O4/c1-20(2,3)17-21(4,5)18-7-9-19(10-8-18)25-16-15-24-14-13-23-12-11-22-6/h7-10H,11-17H2,1-6H3	CC(C)(C)CC(C)(C)c1ccc(cc1)OCCOCCOCCOC
9NJ2	CA	InChI=1S/Ca/q+2	[Ca+2]
9NJ2	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
9NJ3	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
9NJ6	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
9NJ9	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
9NJA	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
9NLR	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
9NLR	MN	InChI=1S/Mn/q+2	[Mn+2]
9NLR	NA	InChI=1S/Na/q+1	[Na+]
9NLR	PO4	InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3	[O-]P(=O)([O-])[O-]
9NM5	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
9NM5	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9NM5	MN	InChI=1S/Mn/q+2	[Mn+2]
9NM5	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
9NM5	P3P	InChI=1S/C5H13NO7P2/c1-14(9,13-15(10,11)12)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H2,10,11,12)/t4-,14+/m0/s1	C[P@](=O)(CC[C@@H](C(=O)O)N)OP(=O)(O)O
9NNC	OXL	InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)/p-2	C(=O)(C(=O)[O-])[O-]
9NPP	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
9NPP	FE	InChI=1S/Fe/q+3	[Fe+3]
9OHC	TUD	InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1	C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
9OHD	A1CBA	InChI=1S/C25H42O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-21,23,26-28H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1	C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
9ORO	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9OZD	FMT	InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)	C(=O)O
9OZD	NA	InChI=1S/Na/q+1	[Na+]
9OZL	CA	InChI=1S/Ca/q+2	[Ca+2]
9P25	AE3	InChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3	CCOCCOCCO
9P25	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9P25	P4G	InChI=1S/C8H18O3/c1-3-9-5-7-11-8-6-10-4-2/h3-8H2,1-2H3	CCOCCOCCOCC
9P25	PEG	InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2	C(COCCO)O
9P25	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
9P26	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9P26	MG	InChI=1S/Mg/q+2	[Mg+2]
9P26	PO4	InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3	[O-]P(=O)([O-])[O-]
9P27	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
9P27	IOD	InChI=1S/HI/h1H/p-1	[I-]
9P27	PEG	InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2	C(COCCO)O
9P27	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
9P28	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
9P28	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9P29	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9P29	PEG	InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2	C(COCCO)O
9P2A	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9P2B	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9P2C	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9P2D	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9P2D	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
9P2E	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
9P2E	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9P2F	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9P2F	PEG	InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2	C(COCCO)O
9P2G	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9P2H	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9P2I	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9P2J	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9P2J	PG4	InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2	C(COCCOCCOCCO)O
9P2J	PO4	InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3	[O-]P(=O)([O-])[O-]
9P2K	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
9P2K	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9P2L	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9P2L	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
9P2L	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
9P2M	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9P2M	MG	InChI=1S/Mg/q+2	[Mg+2]
9P2M	PEG	InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2	C(COCCO)O
9P9N	ACT	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	CC(=O)[O-]
9P9N	MG	InChI=1S/Mg/q+2	[Mg+2]
9P9O	FE	InChI=1S/Fe/q+3	[Fe+3]
9P9O	VY9	InChI=1S/C12H23NO4/c1-2-3-4-5-6-7-10(8-11(14)15)13-9-12(16)17/h10,13H,2-9H2,1H3,(H,14,15)(H,16,17)/t10-/m1/s1	CCCCCCC[C@H](CC(=O)O)NCC(=O)O
9P9P	ACT	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	CC(=O)[O-]
9P9P	MG	InChI=1S/Mg/q+2	[Mg+2]
9PAS	ACT	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	CC(=O)[O-]
9PAS	VVO	InChI=1S/O.V/q;+2	O=[V+2]
9PAS	VY9	InChI=1S/C12H23NO4/c1-2-3-4-5-6-7-10(8-11(14)15)13-9-12(16)17/h10,13H,2-9H2,1H3,(H,14,15)(H,16,17)/t10-/m1/s1	CCCCCCC[C@H](CC(=O)O)NCC(=O)O
9PAU	7UC	InChI=1S/C6H11NO4/c1-4(2-5(8)9)7-3-6(10)11/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m1/s1	C[C@H](CC(=O)O)NCC(=O)O
9PAU	ACT	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	CC(=O)[O-]
9PAU	VVO	InChI=1S/O.V/q;+2	O=[V+2]
9PAX	ACT	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	CC(=O)[O-]
9PAX	MG	InChI=1S/Mg/q+2	[Mg+2]
9PAY	ACT	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	CC(=O)[O-]
9PAY	VVO	InChI=1S/O.V/q;+2	O=[V+2]
9PAY	VY9	InChI=1S/C12H23NO4/c1-2-3-4-5-6-7-10(8-11(14)15)13-9-12(16)17/h10,13H,2-9H2,1H3,(H,14,15)(H,16,17)/t10-/m1/s1	CCCCCCC[C@H](CC(=O)O)NCC(=O)O
9PBJ	ACT	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	CC(=O)[O-]
9PBJ	MG	InChI=1S/Mg/q+2	[Mg+2]
9PBN	ACT	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	CC(=O)[O-]
9PBN	VVO	InChI=1S/O.V/q;+2	O=[V+2]
9PBN	VY9	InChI=1S/C12H23NO4/c1-2-3-4-5-6-7-10(8-11(14)15)13-9-12(16)17/h10,13H,2-9H2,1H3,(H,14,15)(H,16,17)/t10-/m1/s1	CCCCCCC[C@H](CC(=O)O)NCC(=O)O
9PBU	ACT	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	CC(=O)[O-]
9PBU	MG	InChI=1S/Mg/q+2	[Mg+2]
9PBX	ACT	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	CC(=O)[O-]
9PBX	VVO	InChI=1S/O.V/q;+2	O=[V+2]
9PC5	ACT	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	CC(=O)[O-]
9PC5	FE	InChI=1S/Fe/q+3	[Fe+3]
9PC5	PEG	InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2	C(COCCO)O
9PCL	FE	InChI=1S/Fe/q+3	[Fe+3]
9PCL	PEG	InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2	C(COCCO)O
9PCL	VY9	InChI=1S/C12H23NO4/c1-2-3-4-5-6-7-10(8-11(14)15)13-9-12(16)17/h10,13H,2-9H2,1H3,(H,14,15)(H,16,17)/t10-/m1/s1	CCCCCCC[C@H](CC(=O)O)NCC(=O)O
9PCM	AKG	InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)	C(CC(=O)O)C(=O)C(=O)O
9PCM	FE	InChI=1S/Fe/q+3	[Fe+3]
9PCM	PEG	InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2	C(COCCO)O
9PCM	VY9	InChI=1S/C12H23NO4/c1-2-3-4-5-6-7-10(8-11(14)15)13-9-12(16)17/h10,13H,2-9H2,1H3,(H,14,15)(H,16,17)/t10-/m1/s1	CCCCCCC[C@H](CC(=O)O)NCC(=O)O
9PCN	ACT	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	CC(=O)[O-]
9PCN	PEG	InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2	C(COCCO)O
9PCN	VVO	InChI=1S/O.V/q;+2	O=[V+2]
9PCN	VY9	InChI=1S/C12H23NO4/c1-2-3-4-5-6-7-10(8-11(14)15)13-9-12(16)17/h10,13H,2-9H2,1H3,(H,14,15)(H,16,17)/t10-/m1/s1	CCCCCCC[C@H](CC(=O)O)NCC(=O)O
9PCO	ACT	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	CC(=O)[O-]
9PCO	AKG	InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)	C(CC(=O)O)C(=O)C(=O)O
9PCO	FE	InChI=1S/Fe/q+3	[Fe+3]
9PCO	PEG	InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2	C(COCCO)O
9PIZ	A1CII	InChI=1S/C25H20ClF5N4O2/c1-3-18(36)34-4-5-35-12(9-34)10-37-17-8-33-23-14(24(17)35)6-15(26)19(22(23)28)13-7-16(32)21(27)11(2)20(13)25(29,30)31/h3,6-8,12H,1,4-5,9-10,32H2,2H3/t12-/m1/s1	Cc1c(c(cc(c1F)N)c2c(cc3c(c2F)ncc4c3N5CCN(C[C@@H]5CO4)C(=O)C=C)Cl)C(F)(F)F
9PIZ	ACT	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	CC(=O)[O-]
9PIZ	DMS	InChI=1S/C2H6OS/c1-4(2)3/h1-2H3	CS(=O)C
9PIZ	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
9PIZ	MG	InChI=1S/Mg/q+2	[Mg+2]
9PIZ	PEG	InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2	C(COCCO)O
9PLS	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9PLS	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
9PLS	OW4	InChI=1S/C8H9NO2/c1-9-7-4-2-3-6(5-7)8(10)11/h2-5,9H,1H3,(H,10,11)	CNc1cccc(c1)C(=O)O
9PMA	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9PMA	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
9PMA	OW4	InChI=1S/C8H9NO2/c1-9-7-4-2-3-6(5-7)8(10)11/h2-5,9H,1H3,(H,10,11)	CNc1cccc(c1)C(=O)O
9PMC	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9PMC	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
9PMC	OW4	InChI=1S/C8H9NO2/c1-9-7-4-2-3-6(5-7)8(10)11/h2-5,9H,1H3,(H,10,11)	CNc1cccc(c1)C(=O)O
9PZF	A1CQ2	InChI=1S/C21H20ClF3N6O/c1-2-18(32)30-5-7-31(8-6-30)20-13-9-15(22)12(10-16(13)27-11-28-20)19-14(21(23,24)25)3-4-17(26)29-19/h3-4,9-11H,2,5-8H2,1H3,(H2,26,29)	CCC(=O)N1CCN(CC1)c2c3cc(c(cc3ncn2)c4c(ccc(n4)N)C(F)(F)F)Cl
9PZF	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
9PZF	MG	InChI=1S/Mg/q+2	[Mg+2]
9PZY	A1AWR	InChI=1S/C29H34ClF4N7O2/c1-5-21(42)40-9-10-41(16(3)13-40)27-18-12-19(30)22(26-23(29(32,33)34)15(2)11-20(35)36-26)24(31)25(18)37-28(38-27)43-14-17-7-6-8-39(17)4/h11-12,16-17H,5-10,13-14H2,1-4H3,(H2,35,36)/t16-,17-/m0/s1	CCC(=O)N1CCN([C@H](C1)C)c2c3cc(c(c(c3nc(n2)OC[C@@H]4CCCN4C)F)c5c(c(cc(n5)N)C)C(F)(F)F)Cl
9PZY	DMS	InChI=1S/C2H6OS/c1-4(2)3/h1-2H3	CS(=O)C
9PZY	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
9PZY	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
9PZY	MG	InChI=1S/Mg/q+2	[Mg+2]
9PZY	PEG	InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2	C(COCCO)O
9Q39	HEC	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,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;	CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C
9Q39	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
9Q39	PO4	InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3	[O-]P(=O)([O-])[O-]
9Q8D	A1I4L	InChI=1S/C21H25F2N3O3/c22-15-2-1-14(16(23)6-15)5-13-7-21(8-13)11-26(12-21)20(28)25-4-3-18-17(9-25)24-19(27)10-29-18/h1-2,6,13,17-18H,3-5,7-12H2,(H,24,27)	c1cc(c(cc1F)F)CC2CC3(C2)CN(C3)C(=O)N4CC[C@H]5[C@@H](C4)NC(=O)CO5
9Q8D	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
9Q8K	LFI	InChI=1S/C12H18Br3N3O3/c13-4-1-10(19)16-7-17(11(20)2-5-14)9-18(8-16)12(21)3-6-15/h1-9H2	C1N(CN(CN1C(=O)CCBr)C(=O)CCBr)C(=O)CCBr
9QA7	FES	InChI=1S/2Fe.2S	S1[Fe]S[Fe]1
9QAL	ZN	InChI=1S/Zn/q+2	[Zn+2]
9QAW	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
9QAW	CA	InChI=1S/Ca/q+2	[Ca+2]
9QAW	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
9QAW	NGA	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
9QAW	NI	InChI=1S/Ni/q+2	[Ni+2]
9QBM	A1I46	InChI=1S/C28H35N5O4/c1-31-12-14-32(15-13-31)21-9-7-20(8-10-21)30-27(34)6-4-16-37-26-18-24-23(17-25(26)36-2)28(35)33-11-3-5-22(33)19-29-24/h7-10,17-19,22H,3-6,11-16H2,1-2H3,(H,30,34)	CN1CCN(CC1)c2ccc(cc2)NC(=O)CCCOc3cc4c(cc3OC)C(=O)N5CCC[C@H]5C=N4
9QBM	A1I47	InChI=1S/C28H37N5O5/c1-31-12-14-32(15-13-31)20-9-7-19(8-10-20)29-26(34)6-4-16-38-25-18-22-21(17-24(25)37-2)28(36)33-11-3-5-23(33)27(35)30-22/h7-10,17-18,23,27,30,35H,3-6,11-16H2,1-2H3,(H,29,34)/t23-,27-/m0/s1	CN1CCN(CC1)c2ccc(cc2)NC(=O)CCCOc3cc4c(cc3OC)C(=O)N5CCC[C@H]5[C@@H](N4)O
9QBM	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
9QBU	A1I5L	InChI=1S/C23H28F3N3O3/c1-2-19(30)29-11-10-27(13-18(29)21(32)28-14-22(15-28)8-3-9-22)20(31)12-16-4-6-17(7-5-16)23(24,25)26/h4-7,18H,2-3,8-15H2,1H3/t18-/m0/s1	CCC(=O)N1CCN(C[C@H]1C(=O)N2CC3(C2)CCC3)C(=O)Cc4ccc(cc4)C(F)(F)F
9QBU	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
9QBU	ZN	InChI=1S/Zn/q+2	[Zn+2]
9QBV	A1I5F	InChI=1S/C17H21F3N2O2/c1-3-15(23)22-9-8-21(11-12(22)2)16(24)10-13-4-6-14(7-5-13)17(18,19)20/h4-7,12H,3,8-11H2,1-2H3/t12-/m1/s1	CCC(=O)N1CCN(C[C@H]1C)C(=O)Cc2ccc(cc2)C(F)(F)F
9QBV	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
9QBV	ZN	InChI=1S/Zn/q+2	[Zn+2]
9QFX	AV0	InChI=1S/C47H88O22/c1-3-5-7-9-11-13-15-17-19-47(20-18-16-14-12-10-8-6-4-2,25-62-43-39(60)35(56)41(29(23-50)66-43)68-45-37(58)33(54)31(52)27(21-48)64-45)26-63-44-40(61)36(57)42(30(24-51)67-44)69-46-38(59)34(55)32(53)28(22-49)65-46/h27-46,48-61H,3-26H2,1-2H3/t27-,28-,29-,30-,31-,32-,33+,34+,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m1/s1	CCCCCCCCCCC(CCCCCCCCCC)(CO[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)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
9QGU	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
9QGU	AV0	InChI=1S/C47H88O22/c1-3-5-7-9-11-13-15-17-19-47(20-18-16-14-12-10-8-6-4-2,25-62-43-39(60)35(56)41(29(23-50)66-43)68-45-37(58)33(54)31(52)27(21-48)64-45)26-63-44-40(61)36(57)42(30(24-51)67-44)69-46-38(59)34(55)32(53)28(22-49)65-46/h27-46,48-61H,3-26H2,1-2H3/t27-,28-,29-,30-,31-,32-,33+,34+,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m1/s1	CCCCCCCCCCC(CCCCCCCCCC)(CO[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)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
9QH1	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
9QH1	MG	InChI=1S/Mg/q+2	[Mg+2]
9QHJ	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
9QHJ	MG	InChI=1S/Mg/q+2	[Mg+2]
9QHK	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
9QHV	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
9QHV	UNL		
9QHW	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
9QHW	MG	InChI=1S/Mg/q+2	[Mg+2]
9QHX	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
9QHX	MG	InChI=1S/Mg/q+2	[Mg+2]
9R1C	A1JB1	InChI=1S/C28H26N6O8S2/c1-41-19-7-11-21(12-8-19)43(37,38)33(17-27-29-31-32-30-27)25-15-16-26(24-6-4-3-5-23(24)25)34(18-28(35)36)44(39,40)22-13-9-20(42-2)10-14-22/h3-16H,17-18H2,1-2H3,(H,35,36)(H,29,30,31,32)	COc1ccc(cc1)S(=O)(=O)N(Cc2[nH]nnn2)c3ccc(c4c3cccc4)N(CC(=O)O)S(=O)(=O)c5ccc(cc5)OC
9R1C	DMS	InChI=1S/C2H6OS/c1-4(2)3/h1-2H3	CS(=O)C
9R1I	A1JBX	InChI=1S/C28H34N10O6S2/c1-43-19-7-11-21(12-8-19)45(39,40)37(17-27-29-33-34-30-27)25-15-16-26(24-6-4-3-5-23(24)25)38(18-28-31-35-36-32-28)46(41,42)22-13-9-20(44-2)10-14-22/h3-16,27-36H,17-18H2,1-2H3	COc1ccc(cc1)S(=O)(=O)N(CC2NNNN2)c3ccc(c4c3cccc4)N(CC5NNNN5)S(=O)(=O)c6ccc(cc6)OC
9R1Z	A1JB1	InChI=1S/C28H26N6O8S2/c1-41-19-7-11-21(12-8-19)43(37,38)33(17-27-29-31-32-30-27)25-15-16-26(24-6-4-3-5-23(24)25)34(18-28(35)36)44(39,40)22-13-9-20(42-2)10-14-22/h3-16H,17-18H2,1-2H3,(H,35,36)(H,29,30,31,32)	COc1ccc(cc1)S(=O)(=O)N(Cc2[nH]nnn2)c3ccc(c4c3cccc4)N(CC(=O)O)S(=O)(=O)c5ccc(cc5)OC
9R1Z	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
9R4X	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
9R4X	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
9R4X	MG	InChI=1S/Mg/q+2	[Mg+2]
9R4X	TA1	InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C
9R4Y	G2P	InChI=1S/C11H18N5O13P3/c12-11-14-8-5(9(19)15-11)13-2-16(8)10-7(18)6(17)4(28-10)1-27-30(20,21)3-31(22,23)29-32(24,25)26/h2,4,6-7,10,17-18H,1,3H2,(H,20,21)(H,22,23)(H2,24,25,26)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1	c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(C[P@@](=O)(O)OP(=O)(O)O)O)O)O)N=C(NC2=O)N
9R4Y	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
9R4Y	MG	InChI=1S/Mg/q+2	[Mg+2]
9R6S	8Z9	InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h10-11H,2-9,12-15H2,1H3,(H,17,18)/b11-10-	CCCCCCCCC/C=C\CCCCC(=O)O
9R6S	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
9R6T	8Z9	InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h10-11H,2-9,12-15H2,1H3,(H,17,18)/b11-10-	CCCCCCCCC/C=C\CCCCC(=O)O
9R6T	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
9RAF	MG	InChI=1S/Mg/q+2	[Mg+2]
9RAG	MG	InChI=1S/Mg/q+2	[Mg+2]
9RAG	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-]
9S9L	A1JMS	InChI=1S/C21H23N3/c1-3-24-20(10-7-13-23-19-8-5-4-6-9-19)15-18-14-17(16-22-2)11-12-21(18)24/h4-6,8-9,11-12,14-15,22-23H,3,13,16H2,1-2H3	CCn1c2ccc(cc2cc1C#CCNc3ccccc3)CNC
9S9L	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
9S9L	ZN	InChI=1S/Zn/q+2	[Zn+2]
9S9M	A1JMO	InChI=1S/C27H32F3N4OP/c1-33-16-13-21(14-17-33)32-25-7-4-8-26-24(25)18-22(34(26)19-27(28,29)30)6-5-15-31-20-9-11-23(12-10-20)36(2,3)35/h4,7-12,18,21,31-32H,13-17,19H2,1-3H3	CN1CCC(CC1)Nc2cccc3c2cc(n3CC(F)(F)F)C#CCNc4ccc(cc4)P(=O)(C)C
9S9M	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
9S9M	ZN	InChI=1S/Zn/q+2	[Zn+2]
9S9N	A1JMP	InChI=1S/C27H32F4N8O2/c1-26(2,3)39-13-16(11-33-39)25(40)32-12-23-35-24(36-41-23)22-10-17-19(34-20-8-9-37(4)14-18(20)28)6-5-7-21(17)38(22)15-27(29,30)31/h5-7,10-11,13,18,20,34H,8-9,12,14-15H2,1-4H3,(H,32,40)/t18-,20+/m0/s1	CC(C)(C)n1cc(cn1)C(=O)NCc2nc(no2)c3cc4c(cccc4n3CC(F)(F)F)N[C@@H]5CCN(C[C@@H]5F)C
9S9N	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
9S9N	ZN	InChI=1S/Zn/q+2	[Zn+2]
9S9O	A1JMR	InChI=1S/C28H31F4N5O2/c1-33-27(38)18-9-10-24(26(14-18)39-3)34-12-5-6-19-15-20-22(35-23-11-13-36(2)16-21(23)29)7-4-8-25(20)37(19)17-28(30,31)32/h4,7-10,14-15,21,23,34-35H,11-13,16-17H2,1-3H3,(H,33,38)/t21-,23+/m0/s1	CNC(=O)c1ccc(c(c1)OC)NCC#Cc2cc3c(cccc3n2CC(F)(F)F)N[C@@H]4CCN(C[C@@H]4F)C
9S9O	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
9S9O	ZN	InChI=1S/Zn/q+2	[Zn+2]
9S9P	A1JMR	InChI=1S/C28H31F4N5O2/c1-33-27(38)18-9-10-24(26(14-18)39-3)34-12-5-6-19-15-20-22(35-23-11-13-36(2)16-21(23)29)7-4-8-25(20)37(19)17-28(30,31)32/h4,7-10,14-15,21,23,34-35H,11-13,16-17H2,1-3H3,(H,33,38)/t21-,23+/m0/s1	CNC(=O)c1ccc(c(c1)OC)NCC#Cc2cc3c(cccc3n2CC(F)(F)F)N[C@@H]4CCN(C[C@@H]4F)C
9S9P	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
9S9P	NO3	InChI=1S/NO3/c2-1(3)4/q-1	[N+](=O)([O-])[O-]
9S9P	ZN	InChI=1S/Zn/q+2	[Zn+2]
9S9R	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
9S9R	ZN	InChI=1S/Zn/q+2	[Zn+2]
9SYI	A1ICN	InChI=1S/C26H24ClFN2O3/c1-32-20-11-9-16(25(29)31)23(24(20)28)22-17-14-26(21-8-5-13-30-21,15-6-3-2-4-7-15)33-19(17)12-10-18(22)27/h2-4,6-7,9-12,21,30H,5,8,13-14H2,1H3,(H2,29,31)/t21-,26-/m0/s1	COc1ccc(c(c1F)c2c(ccc3c2C[C@](O3)(c4ccccc4)[C@@H]5CCCN5)Cl)C(=O)N
9SYI	PO4	InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3	[O-]P(=O)([O-])[O-]
9SYI	U3O	InChI=1S/C16H11Cl2F3O3S/c1-8(15(22)23)25-14-7-10(3-4-11(14)17)24-13-5-2-9(6-12(13)18)16(19,20)21/h2-8H,1H3,(H,22,23)/t8-/m1/s1	C[C@H](C(=O)O)Sc1cc(ccc1Cl)Oc2ccc(cc2Cl)C(F)(F)F
9SYN	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
9SYN	WCF	InChI=1S/C27H26ClF2N3O4/c1-31-25(35)17-14-33-26(36-11-10-34)24(30)22(17)21-16-13-27(20-8-5-9-32-20,15-6-3-2-4-7-15)37-19(16)12-18(29)23(21)28/h2-4,6-7,12,14,20,32,34H,5,8-11,13H2,1H3,(H,31,35)/t20-,27-/m0/s1	CNC(=O)c1cnc(c(c1c2c3c(cc(c2Cl)F)O[C@@](C3)(c4ccccc4)[C@@H]5CCCN5)F)OCCO
9T09	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9T09	ZN	InChI=1S/Zn/q+2	[Zn+2]
9T0A	A1JSP	InChI=1S/C21H15O8P/c1-26-12-6-8-16-18(10-12)27-19-11-13(29-30(23,24)25)7-9-17(19)21(16)15-5-3-2-4-14(15)20(22)28-21/h2-11H,1H3,(H2,23,24,25)/t21-/m0/s1	COc1ccc2c(c1)Oc3cc(ccc3[C@]24c5ccccc5C(=O)O4)OP(=O)(O)O
9T0A	A1JSQ	InChI=1S/C21H15O8P/c1-26-12-6-8-16-18(10-12)27-19-11-13(29-30(23,24)25)7-9-17(19)21(16)15-5-3-2-4-14(15)20(22)28-21/h2-11H,1H3,(H2,23,24,25)/t21-/m1/s1	COc1ccc2c(c1)Oc3cc(ccc3[C@@]24c5ccccc5C(=O)O4)OP(=O)(O)O
9T0A	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9T0H	CA	InChI=1S/Ca/q+2	[Ca+2]
9T0H	EOH	InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3	CCO
9T0H	H9F	InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2	C1CCN(CC1)c2c3c(c(nc(n3)N(CCO)CCO)N4CCCCC4)nc(n2)N(CCO)CCO
9T0H	NA	InChI=1S/Na/q+1	[Na+]
9T0H	P6G	InChI=1S/C12H26O7/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h13-14H,1-12H2	C(COCCOCCOCCOCCOCCO)O
9T0H	PEG	InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2	C(COCCO)O
9TOY	CA	InChI=1S/Ca/q+2	[Ca+2]
9TW9	FE	InChI=1S/Fe/q+3	[Fe+3]
9TWA	FE	InChI=1S/Fe/q+3	[Fe+3]
9TWC	FE	InChI=1S/Fe/q+3	[Fe+3]
9U19	MG	InChI=1S/Mg/q+2	[Mg+2]
9U32	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
9U32	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
9UAB	CO	InChI=1S/Co/q+2	[Co+2]
9UAC	AKG	InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)	C(CC(=O)O)C(=O)C(=O)O
9UAC	CO	InChI=1S/Co/q+2	[Co+2]
9UAD	A1EMZ	InChI=1S/C32H32N4O3/c1-6-31(4,5)36-23-14-10-8-12-21(23)32(39)18-25-27(37)34-16-15-30(2,3)26-20(19-11-7-9-13-22(19)33-26)17-24(34)28(38)35(25)29(32)36/h6-17,25,29,33,39H,1,18H2,2-5H3/t25-,29+,32+/m1/s1	CC1(/C=C\N2/C(=C\c3c1[nH]c4c3cccc4)/C(=O)N5[C@H](C2=O)C[C@]6([C@@H]5N(c7c6cccc7)C(C)(C)C=C)O)C
9UAD	AKG	InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)	C(CC(=O)O)C(=O)C(=O)O
9UAD	CO	InChI=1S/Co/q+2	[Co+2]
9UAE	CO	InChI=1S/Co/q+2	[Co+2]
9UAF	AKG	InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)	C(CC(=O)O)C(=O)C(=O)O
9UAF	CO	InChI=1S/Co/q+2	[Co+2]
9UAG	A1EMZ	InChI=1S/C32H32N4O3/c1-6-31(4,5)36-23-14-10-8-12-21(23)32(39)18-25-27(37)34-16-15-30(2,3)26-20(19-11-7-9-13-22(19)33-26)17-24(34)28(38)35(25)29(32)36/h6-17,25,29,33,39H,1,18H2,2-5H3/t25-,29+,32+/m1/s1	CC1(/C=C\N2/C(=C\c3c1[nH]c4c3cccc4)/C(=O)N5[C@H](C2=O)C[C@]6([C@@H]5N(c7c6cccc7)C(C)(C)C=C)O)C
9UAG	AKG	InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)	C(CC(=O)O)C(=O)C(=O)O
9UAG	CO	InChI=1S/Co/q+2	[Co+2]
9UAH	A1EMZ	InChI=1S/C32H32N4O3/c1-6-31(4,5)36-23-14-10-8-12-21(23)32(39)18-25-27(37)34-16-15-30(2,3)26-20(19-11-7-9-13-22(19)33-26)17-24(34)28(38)35(25)29(32)36/h6-17,25,29,33,39H,1,18H2,2-5H3/t25-,29+,32+/m1/s1	CC1(/C=C\N2/C(=C\c3c1[nH]c4c3cccc4)/C(=O)N5[C@H](C2=O)C[C@]6([C@@H]5N(c7c6cccc7)C(C)(C)C=C)O)C
9UAH	AKG	InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)	C(CC(=O)O)C(=O)C(=O)O
9UAH	CO	InChI=1S/Co/q+2	[Co+2]
9UAY	AE3	InChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3	CCOCCOCCO
9UAY	AE4	InChI=1S/C12H26O6/c1-2-14-5-6-16-9-10-18-12-11-17-8-7-15-4-3-13/h13H,2-12H2,1H3	CCOCCOCCOCCOCCOCCO
9UAY	PEG	InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2	C(COCCO)O
9UAY	PG4	InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2	C(COCCOCCOCCO)O
9UWW	NA	InChI=1S/Na/q+1	[Na+]
9UWW	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
9UWW	PG8	InChI=1S/C22H43O10P/c1-3-5-7-9-11-13-21(25)29-17-20(32-22(26)14-12-10-8-6-4-2)18-31-33(27,28)30-16-19(24)15-23/h19-20,23-24H,3-18H2,1-2H3,(H,27,28)/p-1/t19-,20-/m1/s1	CCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC[C@@H](CO)O)OC(=O)CCCCCCC
9UWX	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
9UWX	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
9UWY	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
9UWY	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
9UX1	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
9UX1	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
9UX2	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
9UX2	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
9UX3	AF9	InChI=1S/C14H19N5O4S/c1-7(2)8-4-10(22-3)12(24(17,20)21)5-9(8)23-11-6-18-14(16)19-13(11)15/h4-7H,1-3H3,(H2,17,20,21)(H4,15,16,18,19)	CC(C)c1cc(c(cc1Oc2cnc(nc2N)N)S(=O)(=O)N)OC
9UX3	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
9UX3	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
9UX4	A1AQX	InChI=1S/C23H24F2N4O4/c1-13-4-5-29-18(11-15-12-28(6-7-33-15)23(31)32-3)21(27-19(29)8-13)20-16(24)9-14(10-17(20)25)22(30)26-2/h4-5,8-10,15H,6-7,11-12H2,1-3H3,(H,26,30)/t15-/m0/s1	Cc1ccn2c(c1)nc(c2C[C@H]3CN(CCO3)C(=O)OC)c4c(cc(cc4F)C(=O)NC)F
9UX4	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
9V42	CA	InChI=1S/Ca/q+2	[Ca+2]
9V43	CA	InChI=1S/Ca/q+2	[Ca+2]
9VJ4	46E	InChI=1S/C33H66NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(35)39-29-31(30-41-43(37,38)40-28-27-34)42-33(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h31H,3-30,34H2,1-2H3,(H,37,38)/t31-/m1/s1	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC
9VJ4	C14	InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3	CCCCCCCCCCCCCC
9VJ4	UJO	InChI=1S/C29H57NO3/c1-3-5-7-9-11-13-14-15-17-18-20-22-24-28(32)27(26-31)30-29(33)25-23-21-19-16-12-10-8-6-4-2/h22,24,27-28,31-32H,3-21,23,25-26H2,1-2H3,(H,30,33)/b24-22-/t27-,28+/m0/s1	CCCCCCCCCCCC/C=C\[C@H]([C@H](CO)NC(=O)CCCCCCCCCCC)O
9VU9	A1ETX	InChI=1S/C20H18F3N5O/c1-28(10-9-24)18(29)12-17(13-5-4-6-14(11-13)20(21,22)23)27-19-25-15-7-2-3-8-16(15)26-19/h2-8,11,17H,10,12H2,1H3,(H2,25,26,27)/t17-/m0/s1	CN(CC#N)C(=O)C[C@@H](c1cccc(c1)C(F)(F)F)Nc2[nH]c3ccccc3n2
9VU9	K	InChI=1S/K/q+1	[K+]
9VUA	K	InChI=1S/K/q+1	[K+]
9VUA	POV	InChI=1S/C42H82NO8P/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/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m0/s1	CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
9VUB	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
9VUB	CA	InChI=1S/Ca/q+2	[Ca+2]
9VUB	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
9VUB	K	InChI=1S/K/q+1	[K+]
9VUB	POV	InChI=1S/C42H82NO8P/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/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m0/s1	CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
9VUC	K	InChI=1S/K/q+1	[K+]
9VUC	Y7Z	InChI=1S/C34H30N4/c1-3-10-33-29(8-1)31-16-18-37(33)23-27-6-5-7-28(20-27)24-38-19-17-32(30-9-2-4-11-34(30)38)36-22-26-14-12-25(13-15-26)21-35-31/h1-20,35-36H,21-24H2	c1cc2cc(c1)C[N]3=C4C=CC=CC4=C(C=C3)NCc5ccc(cc5)CNC6=C7C=CC=CC7=[N](C2)C=C6
9W04	MG	InChI=1S/Mg/q+2	[Mg+2]
9W26	MG	InChI=1S/Mg/q+2	[Mg+2]
9W47	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
9WA7	ZN	InChI=1S/Zn/q+2	[Zn+2]
9WKS	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9WKS	NA	InChI=1S/Na/q+1	[Na+]
9WQV	A1EYK	InChI=1S/C40H58O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-12,14-15,17-21,23-27,29-31,41H,13,16,22,28,32H2,1-10H3/b12-11+,23-14+,24-15+,29-17+,31-18+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+	CC(=CCC/C(=C/CC/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/CC(C)(C)O)/C)/C)/C)C
9WQV	BCL	InChI=1S/C55H75N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3;/h25,27-32,34-35,39-40,51H,13-24,26H2,1-12H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b33-25+;/t31-,32-,34-,35+,39-,40+,51-;/m1./s1	CC[C@@H]1[C@H](C2=CC3=C(C(=C4[N-]3[Mg+2]56[N]2=C1C=C7[N-]5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C(=O)C)C
9WQV	BPH	InChI=1S/C55H76N4O6/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3/h25,27-32,34-35,39-40,51,57,59H,13-24,26H2,1-12H3/b33-25+,41-29-,42-27-,43-27-,44-28-,45-28-,46-29-,52-50-/t31-,32-,34-,35+,39-,40+,51-/m1/s1	CCC1c2/cc\3/c(c4c([nH]3)c(c5n/c(c\c6c(c(c([nH]6)/cc(\n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C
9WQV	FE	InChI=1S/Fe/q+3	[Fe+3]
9WQV	HEC	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,9-12H2,1-6H3,(H,39,40)(H,41,42);/q-4;+4/b21-7?,22-8?,26-13-,29-14-,30-15-,31-16-;	CC=C1C(=C2C=C3C(=CC)C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C
9WQV	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
9WQV	MG	InChI=1S/Mg/q+2	[Mg+2]
9WQV	PGV	InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h13,15,37-38,41-42H,3-12,14,16-36H2,1-2H3,(H,45,46)/b15-13-/t37-,38+/m0/s1	CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCC\C=C/CCCCCC
9WQV	SPO	InChI=1S/C41H60O/c1-34(2)20-14-23-37(5)26-17-29-38(6)27-15-24-35(3)21-12-13-22-36(4)25-16-28-39(7)30-18-31-40(8)32-19-33-41(9,10)42-11/h12-13,15-16,18-22,24-28,30-32H,14,17,23,29,33H2,1-11H3/b13-12+,24-15+,25-16+,30-18+,32-19+,35-21+,36-22-,37-26+,38-27+,39-28+,40-31+	CC(=CCCC(=CCC/C(=C/C=CC(=CC=C\C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=CCC(C)(C)OC)C)/C)C)C
9WQV	U10	InChI=1S/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+	CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=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)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C)C
9WQV	UNL		
9WYF	MG	InChI=1S/Mg/q+2	[Mg+2]
9XD0	46E	InChI=1S/C33H66NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-32(35)39-29-31(30-41-43(37,38)40-28-27-34)42-33(36)26-24-22-20-18-16-14-12-10-8-6-4-2/h31H,3-30,34H2,1-2H3,(H,37,38)/t31-/m1/s1	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC
9XD0	C14	InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3	CCCCCCCCCCCCCC
9YCE	BET	InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3/p+1	C[N+](C)(C)CC(=O)O
9YCE	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
9YCE	IMD	InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)/p+1	c1c[nH+]c[nH]1
9YMT	A1CYJ	InChI=1S/C22H21F3N8/c1-31-9-11-32(12-10-31)20-5-4-15(13-17(20)22(23,24)25)29-21-26-8-6-18(30-21)16-14-28-33-19(16)3-2-7-27-33/h2-8,13-14H,9-12H2,1H3,(H,26,29,30)	CN1CCN(CC1)c2ccc(cc2C(F)(F)F)Nc3nccc(n3)c4cnn5c4cccn5
9YMT	BEN	InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)	[H]/N=C(\c1ccccc1)/N
9YMT	DMS	InChI=1S/C2H6OS/c1-4(2)3/h1-2H3	CS(=O)C
9YXD	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
9YXD	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
9Z80	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
9ZEG	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9ZEG	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
9ZEG	JO4	InChI=1S/C13H10O3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,(H,14,15)	c1ccc(cc1)Oc2ccc(cc2)C(=O)O
9ZEH	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9ZEH	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
9ZEH	JO4	InChI=1S/C13H10O3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,(H,14,15)	c1ccc(cc1)Oc2ccc(cc2)C(=O)O
9ZEI	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9ZEI	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
9ZEI	JO4	InChI=1S/C13H10O3/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,(H,14,15)	c1ccc(cc1)Oc2ccc(cc2)C(=O)O
9ZT5	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
9ZT6	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
9ZT7	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
9ZT8	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