PDB_ID	Component_ID	InChI	SMILES string
10FA	ZN	InChI=1S/Zn/q+2	[Zn+2]
10FB	9DG	InChI=1S/C6H6N4O/c7-6-9-3-1-2-8-4(3)5(11)10-6/h1-2,8H,(H3,7,9,10,11)	c1c[nH]c2c1N=C(NC2=O)N
10FB	ZN	InChI=1S/Zn/q+2	[Zn+2]
10FS	PEG	InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2	C(COCCO)O
10FV	FLC	InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3	C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O
10MN	A1C6R	InChI=1S/C18H16Cl2N2O/c19-15-6-7-16(17(20)10-15)18(11-22-9-8-21-13-22)23-12-14-4-2-1-3-5-14/h1-10,13,18H,11-12H2/t18-/m1/s1	c1ccc(cc1)CO[C@H](Cn2ccnc2)c3ccc(cc3Cl)Cl
10MN	A1C6S	InChI=1S/C5H6O2/c1-5(7)3-2-4-6/h2-4,7H,1H2/b3-2-	C=C(/C=C\C=O)O
10ZK	0BE	InChI=1S/Be/q+2	[Be+2]
10ZK	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
10ZK	CLF	InChI=1S/8Fe.7S	[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71
10ZK	FE	InChI=1S/Fe/q+3	[Fe+3]
10ZK	HCA	InChI=1S/C7H10O7/c8-4(9)1-2-7(14,6(12)13)3-5(10)11/h14H,1-3H2,(H,8,9)(H,10,11)(H,12,13)/t7-/m1/s1	C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O
10ZK	ICS	InChI=1S/C.7Fe.Mo.9S	C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12
10ZK	MG	InChI=1S/Mg/q+2	[Mg+2]
10ZK	SF4	InChI=1S/4Fe.4S	[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
10ZL	CLF	InChI=1S/8Fe.7S	[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71
10ZL	FE	InChI=1S/Fe/q+3	[Fe+3]
10ZL	HCA	InChI=1S/C7H10O7/c8-4(9)1-2-7(14,6(12)13)3-5(10)11/h14H,1-3H2,(H,8,9)(H,10,11)(H,12,13)/t7-/m1/s1	C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O
10ZL	ICS	InChI=1S/C.7Fe.Mo.9S	C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12
10ZM	0BE	InChI=1S/Be/q+2	[Be+2]
10ZM	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
10ZM	CLF	InChI=1S/8Fe.7S	[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71
10ZM	FE	InChI=1S/Fe/q+3	[Fe+3]
10ZM	HCA	InChI=1S/C7H10O7/c8-4(9)1-2-7(14,6(12)13)3-5(10)11/h14H,1-3H2,(H,8,9)(H,10,11)(H,12,13)/t7-/m1/s1	C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O
10ZM	ICS	InChI=1S/C.7Fe.Mo.9S	C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12
10ZM	MG	InChI=1S/Mg/q+2	[Mg+2]
10ZM	SF4	InChI=1S/4Fe.4S	[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
10ZN	0BE	InChI=1S/Be/q+2	[Be+2]
10ZN	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
10ZN	CLF	InChI=1S/8Fe.7S	[S]12[Fe]3[S]4[Fe]1S567([Fe]2[S]3[Fe]45)[Fe]8[S]9[Fe]6[S]1[Fe]9[S]8[Fe]71
10ZN	FE	InChI=1S/Fe/q+3	[Fe+3]
10ZN	HCA	InChI=1S/C7H10O7/c8-4(9)1-2-7(14,6(12)13)3-5(10)11/h14H,1-3H2,(H,8,9)(H,10,11)(H,12,13)/t7-/m1/s1	C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O
10ZN	ICS	InChI=1S/C.7Fe.Mo.9S	C12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12
10ZN	MG	InChI=1S/Mg/q+2	[Mg+2]
10ZN	SF4	InChI=1S/4Fe.4S	[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
12IY	A1DB5	InChI=1S/C20H16F3NO4/c21-20(22,23)12-6-7-16-15(10-12)24(8-3-9-27-16)18(25)11-17-13-4-1-2-5-14(13)19(26)28-17/h1-2,4-7,10,17H,3,8-9,11H2/t17-/m1/s1	c1ccc2c(c1)[C@H](OC2=O)CC(=O)N3CCCOc4c3cc(cc4)C(F)(F)F
12IZ	A1DB5	InChI=1S/C20H16F3NO4/c21-20(22,23)12-6-7-16-15(10-12)24(8-3-9-27-16)18(25)11-17-13-4-1-2-5-14(13)19(26)28-17/h1-2,4-7,10,17H,3,8-9,11H2/t17-/m1/s1	c1ccc2c(c1)[C@H](OC2=O)CC(=O)N3CCCOc4c3cc(cc4)C(F)(F)F
12JA	A1DB6	InChI=1S/C22H34N2O6S/c1-4-6-7-8-11-23(17-21(25)29-3)22(26)19-10-9-18(5-2)20(16-19)31(27,28)24-12-14-30-15-13-24/h9-10,16H,4-8,11-15,17H2,1-3H3	CCCCCCN(CC(=O)OC)C(=O)c1ccc(c(c1)S(=O)(=O)N2CCOCC2)CC
13CT	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
13JV	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
21ET	NA	InChI=1S/Na/q+1	[Na+]
21ZX	ACT	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	CC(=O)[O-]
23EF	ACT	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	CC(=O)[O-]
23EF	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
23EF	CU	InChI=1S/Cu/q+2	[Cu+2]
23EG	CU1	InChI=1S/Cu/q+1	[Cu+]
23EI	CU	InChI=1S/Cu/q+2	[Cu+2]
23EO	CU	InChI=1S/Cu/q+2	[Cu+2]
23EQ	CU1	InChI=1S/Cu/q+1	[Cu+]
23WI	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
23WI	MG	InChI=1S/Mg/q+2	[Mg+2]
23WI	NA	InChI=1S/Na/q+1	[Na+]
23WI	ZN	InChI=1S/Zn/q+2	[Zn+2]
24FO	CU	InChI=1S/Cu/q+2	[Cu+2]
24FO	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
24GZ	CU1	InChI=1S/Cu/q+1	[Cu+]
24GZ	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
26QX	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
26QX	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
26QX	MG	InChI=1S/Mg/q+2	[Mg+2]
26RC	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
26RC	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
26RC	MG	InChI=1S/Mg/q+2	[Mg+2]
26RV	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
27FM	ACT	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	CC(=O)[O-]
27FM	AU	InChI=1S/Au/q+1	[Au+]
27GY	A1MHH	InChI=1S/C18H20N2O/c1-3-12-21-16-10-8-15(9-11-16)13-20-14(2)19-17-6-4-5-7-18(17)20/h4-11H,3,12-13H2,1-2H3	CCCOc1ccc(cc1)Cn2c(nc3c2cccc3)C
27GZ	A1MHI	InChI=1S/C19H22N2/c1-3-4-7-16-10-12-17(13-11-16)14-21-15(2)20-18-8-5-6-9-19(18)21/h5-6,8-13H,3-4,7,14H2,1-2H3	CCCCc1ccc(cc1)Cn2c(nc3c2cccc3)C
27QY	A1MHM	InChI=1S/C16H26O2/c1-7-15(3,4)11-9-14(18)12(10-13(11)17)16(5,6)8-2/h9-10,17-18H,7-8H2,1-6H3	CCC(C)(C)c1cc(c(cc1O)C(C)(C)CC)O
27QY	NA	InChI=1S/Na/q+1	[Na+]
27QY	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
27QY	TG1	InChI=1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3/b19-11-/t22-,26+,27-,28-,29-,32-,33+,34+/m0/s1	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O
27QZ	EYK	InChI=1S/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3	CC(C)(C)c1cc(ccc1O)O
27QZ	NA	InChI=1S/Na/q+1	[Na+]
27QZ	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
27QZ	TG1	InChI=1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3/b19-11-/t22-,26+,27-,28-,29-,32-,33+,34+/m0/s1	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O
27RA	A1MHN	InChI=1S/C14H23N/c1-13(2,3)10-7-8-11(12(15)9-10)14(4,5)6/h7-9H,15H2,1-6H3	CC(C)(C)c1ccc(c(c1)N)C(C)(C)C
27RA	NA	InChI=1S/Na/q+1	[Na+]
27RA	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
27RA	TG1	InChI=1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3/b19-11-/t22-,26+,27-,28-,29-,32-,33+,34+/m0/s1	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O
27RB	A1MHO	InChI=1S/C14H22O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8,15-16H,1-6H3	CC(C)(C)c1cc(c(c(c1)O)O)C(C)(C)C
27RB	NA	InChI=1S/Na/q+1	[Na+]
27RB	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
27RB	TG1	InChI=1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3/b19-11-/t22-,26+,27-,28-,29-,32-,33+,34+/m0/s1	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O
27RC	A1MHP	InChI=1S/C15H24O2/c1-14(2,3)10-9-13(17-7)11(8-12(10)16)15(4,5)6/h8-9,16H,1-7H3	CC(C)(C)c1cc(c(cc1OC)C(C)(C)C)O
27RC	NA	InChI=1S/Na/q+1	[Na+]
27RC	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
27RC	TG1	InChI=1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3/b19-11-/t22-,26+,27-,28-,29-,32-,33+,34+/m0/s1	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O
27RD	A1MHQ	InChI=1S/C12H18O/c1-8(2)10-5-6-11(9(3)4)12(13)7-10/h5-9,13H,1-4H3	CC(C)c1ccc(c(c1)O)C(C)C
27RD	NA	InChI=1S/Na/q+1	[Na+]
27RD	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
27RD	TG1	InChI=1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3/b19-11-/t22-,26+,27-,28-,29-,32-,33+,34+/m0/s1	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O
27RE	A1MHR	InChI=1S/C18H30O2/c1-7-17(5,8-2)13-11-16(20)14(12-15(13)19)18(6,9-3)10-4/h11-12,19-20H,7-10H2,1-6H3	CCC(C)(CC)c1cc(c(cc1O)C(C)(CC)CC)O
27RE	NA	InChI=1S/Na/q+1	[Na+]
27RE	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
27RE	TG1	InChI=1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3/b19-11-/t22-,26+,27-,28-,29-,32-,33+,34+/m0/s1	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O
27RF	A1MHS	InChI=1S/C12H10O2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h1-8,13-14H	c1ccc(cc1)c2cc(ccc2O)O
27RF	NA	InChI=1S/Na/q+1	[Na+]
27RF	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
27RF	TG1	InChI=1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3/b19-11-/t22-,26+,27-,28-,29-,32-,33+,34+/m0/s1	CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O
28IO	A1JY9	InChI=1S/C19H17N3O3/c23-12-13-1-6-16(7-2-13)25-19-8-3-14(9-18(19)24)10-22-11-17(20-21-22)15-4-5-15/h1-3,6-9,11-12,15,24H,4-5,10H2	c1cc(ccc1C=O)Oc2ccc(cc2O)Cn3cc(nn3)C4CC4
28IO	ACT	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	CC(=O)[O-]
28IO	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
28IP	A1JY8	InChI=1S/C19H22O3/c1-2-3-4-5-6-15-9-12-19(18(21)13-15)22-17-10-7-16(14-20)8-11-17/h7-14,21H,2-6H2,1H3	CCCCCCc1ccc(c(c1)O)Oc2ccc(cc2)C=O
28IP	DMS	InChI=1S/C2H6OS/c1-4(2)3/h1-2H3	CS(=O)C
28IP	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
28IQ	A1JY8	InChI=1S/C19H22O3/c1-2-3-4-5-6-15-9-12-19(18(21)13-15)22-17-10-7-16(14-20)8-11-17/h7-14,21H,2-6H2,1H3	CCCCCCc1ccc(c(c1)O)Oc2ccc(cc2)C=O
28IQ	DMS	InChI=1S/C2H6OS/c1-4(2)3/h1-2H3	CS(=O)C
28IQ	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
28IR	A1JZB	InChI=1S/C19H16FN3O3/c20-15-7-13(11-24)2-5-18(15)26-19-6-1-12(8-17(19)25)9-23-10-16(21-22-23)14-3-4-14/h1-2,5-8,10-11,14,25H,3-4,9H2	c1cc(c(cc1Cn2cc(nn2)C3CC3)O)Oc4ccc(cc4F)C=O
28IR	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
28IS	A1JY7	InChI=1S/C20H25N3O2S/c1-2-3-4-5-6-15-9-12-19(18(24)13-15)25-17-10-7-16(8-11-17)14-22-23-20(21)26/h7-14,24H,2-6H2,1H3,(H3,21,23,26)/b22-14+	CCCCCCc1ccc(c(c1)O)Oc2ccc(cc2)/C=N/NC(=S)N
28IS	ACT	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	CC(=O)[O-]
28IS	DMS	InChI=1S/C2H6OS/c1-4(2)3/h1-2H3	CS(=O)C
28IS	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
28IT	A1JZA	InChI=1S/C20H20N6O2S/c21-20(29)24-22-10-13-1-6-16(7-2-13)28-19-8-3-14(9-18(19)27)11-26-12-17(23-25-26)15-4-5-15/h1-3,6-10,12,15,27H,4-5,11H2,(H3,21,24,29)/b22-10+	c1cc(ccc1/C=N/NC(=S)N)Oc2ccc(cc2O)Cn3cc(nn3)C4CC4
28IT	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
28IT	PIN	InChI=1S/C8H18N2O6S2/c11-17(12,13)7-5-9-1-2-10(4-3-9)6-8-18(14,15)16/h1-8H2,(H,11,12,13)(H,14,15,16)	C1CN(CCN1CCS(=O)(=O)O)CCS(=O)(=O)O
28IU	A1JZC	InChI=1S/C20H19FN6O2S/c21-15-7-12(9-23-25-20(22)30)1-5-18(15)29-19-6-2-13(8-17(19)28)10-27-11-16(24-26-27)14-3-4-14/h1-2,5-9,11,14,28H,3-4,10H2,(H3,22,25,30)/b23-9+	c1cc(c(cc1Cn2cc(nn2)C3CC3)O)Oc4ccc(cc4F)/C=N/NC(=S)N
28IU	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
28IV	A1JY6	InChI=1S/C20H19ClN6O2S/c21-15-7-12(9-23-25-20(22)30)1-5-18(15)29-19-6-2-13(8-17(19)28)10-27-11-16(24-26-27)14-3-4-14/h1-2,5-9,11,14,28H,3-4,10H2,(H3,22,25,30)/b23-9+	c1cc(c(cc1Cn2cc(nn2)C3CC3)O)Oc4ccc(cc4Cl)/C=N/NC(=S)N
28IV	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
28IV	PIN	InChI=1S/C8H18N2O6S2/c11-17(12,13)7-5-9-1-2-10(4-3-9)6-8-18(14,15)16/h1-8H2,(H,11,12,13)(H,14,15,16)	C1CN(CCN1CCS(=O)(=O)O)CCS(=O)(=O)O
28IW	A1JY4	InChI=1S/C21H24N6O2S/c1-2-3-4-17-14-27(26-24-17)13-16-7-10-20(19(28)11-16)29-18-8-5-15(6-9-18)12-23-25-21(22)30/h5-12,14,28H,2-4,13H2,1H3,(H3,22,25,30)/b23-12+	CCCCc1cn(nn1)Cc2ccc(c(c2)O)Oc3ccc(cc3)/C=N/NC(=S)N
28IW	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
28IW	NA	InChI=1S/Na/q+1	[Na+]
28IW	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
28IX	A1JY5	InChI=1S/C21H23FN6O2S/c1-2-3-4-16-13-28(27-25-16)12-15-6-8-20(18(29)10-15)30-19-7-5-14(9-17(19)22)11-24-26-21(23)31/h5-11,13,29H,2-4,12H2,1H3,(H3,23,26,31)/b24-11+	CCCCc1cn(nn1)Cc2ccc(c(c2)O)Oc3ccc(cc3F)/C=N/NC(=S)N
28IX	NA	InChI=1S/Na/q+1	[Na+]
28IX	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
28IX	PEG	InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2	C(COCCO)O
28LL	A1JZT	InChI=1S/C20H21N3O3/c1-2-3-4-17-13-23(22-21-17)12-16-7-10-20(19(25)11-16)26-18-8-5-15(14-24)6-9-18/h5-11,13-14,25H,2-4,12H2,1H3	CCCCc1cn(nn1)Cc2ccc(c(c2)O)Oc3ccc(cc3)C=O
28LL	NA	InChI=1S/Na/q+1	[Na+]
28LL	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
28LM	A1JZS	InChI=1S/C20H20FN3O3/c1-2-3-4-16-12-24(23-22-16)11-14-5-8-20(18(26)10-14)27-19-7-6-15(13-25)9-17(19)21/h5-10,12-13,26H,2-4,11H2,1H3	CCCCc1cn(nn1)Cc2ccc(c(c2)O)Oc3ccc(cc3F)C=O
28LM	ACT	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	CC(=O)[O-]
28LM	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
32FE	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
36AZ	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
36MB	PRO	InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1	C1C[C@H](NC1)C(=O)O
36OF	CA	InChI=1S/Ca/q+2	[Ca+2]
36ZF	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
36ZF	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
36ZF	NA	InChI=1S/Na/q+1	[Na+]
43DY	URC	InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)	C12=C(NC(=O)N1)NC(=O)NC2=O
9HIG	MG	InChI=1S/Mg/q+2	[Mg+2]
9HVS	PRO	InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1	C1C[C@H](NC1)C(=O)O
9HVS	UEP	InChI=1S/C11H17N2O9P/c1-2-5-3-7(14)12-11(17)13(5)10-9(16)8(15)6(22-10)4-21-23(18,19)20/h3,6,8-10,15-16H,2,4H2,1H3,(H,12,14,17)(H2,18,19,20)/t6-,8-,9-,10-/m1/s1	CCC1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
9HVT	A1IXW	InChI=1S/C12H19N2O9P/c1-5(2)6-3-8(15)13-12(18)14(6)11-10(17)9(16)7(23-11)4-22-24(19,20)21/h3,5,7,9-11,16-17H,4H2,1-2H3,(H,13,15,18)(H2,19,20,21)/t7-,9-,10-,11-/m1/s1	CC(C)C1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
9HVT	PRO	InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1	C1C[C@H](NC1)C(=O)O
9HVU	A1IXU	InChI=1S/C12H17N2O9P/c1-5(2)6-3-8(15)13-12(18)14(6)11-10(17)9(16)7(23-11)4-22-24(19,20)21/h3,7,9-11,16-17H,1,4H2,2H3,(H,13,15,18)(H2,19,20,21)/t7-,9-,10-,11-/m1/s1	CC(=C)C1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
9HVU	PRO	InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1	C1C[C@H](NC1)C(=O)O
9HVV	PRO	InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1	C1C[C@H](NC1)C(=O)O
9HVV	U6M	InChI=1S/C10H15N2O9P/c1-4-2-6(13)11-10(16)12(4)9-8(15)7(14)5(21-9)3-20-22(17,18)19/h2,5,7-9,14-15H,3H2,1H3,(H,11,13,16)(H2,17,18,19)/t5-,7-,8-,9-/m1/s1	CC1=CC(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O
9HVZ	ACO	InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1	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
9HVZ	PO4	InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3	[O-]P(=O)([O-])[O-]
9HW1	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
9HW8	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
9HWE	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
9HWH	AU	InChI=1S/Au/q+1	[Au+]
9HWH	PO4	InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3	[O-]P(=O)([O-])[O-]
9HWI	ACO	InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16-,17-,18+,22-/m1/s1	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
9HWI	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
9HWI	PO4	InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3	[O-]P(=O)([O-])[O-]
9IA1	A1I1N	InChI=1S/C9H12O2/c1-3-7-4-5-8(10)9(6-7)11-2/h4-6,10H,3H2,1-2H3	CCc1ccc(c(c1)OC)O
9IA1	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
9K91	ZN	InChI=1S/Zn/q+2	[Zn+2]
9L0A	BCR	InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+	CC1=C(C(CCC1)(C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(CCCC2(C)C)C)\C)\C
9L0A	CA	InChI=1S/Ca/q+2	[Ca+2]
9L0A	CL0	InChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+4/p-1/b34-26+;/t32-,33-,37+,41+,51+;/m1./s1	CCC1=C(c2cc3c(c(c4n3[Mg]56[n+]2c1cc7n5c8c(c9[n+]6c(c4)C(C9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)[C@@H](C(=O)c8c7C)C(=O)OC)C)C=C)C
9L0A	CLA	InChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32-,33-,37+,41+,51-;/m1./s1	CCC1=C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=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=C)C
9L0A	LHG	InChI=1S/C38H75O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(41)45-33-36(34-47-49(43,44)46-32-35(40)31-39)48-38(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36,39-40H,3-34H2,1-2H3,(H,43,44)/t35-,36+/m0/s1	CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCCCCCC
9L0A	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
9L0A	PQN	InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20+/t23-,24-/m1/s1	CC1=C(C(=O)c2ccccc2C1=O)C\C=C(/C)\CCC[C@H](C)CCC[C@H](C)CCCC(C)C
9L0A	SF4	InChI=1S/4Fe.4S	[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
9L0A	UNL		
9L9C	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
9L9C	MG	InChI=1S/Mg/q+2	[Mg+2]
9L9C	ZN	InChI=1S/Zn/q+2	[Zn+2]
9LE9	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
9LF4	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
9LFP	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
9LJE	MG	InChI=1S/Mg/q+2	[Mg+2]
9LJF	DGT	InChI=1S/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1	c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N
9LJF	MG	InChI=1S/Mg/q+2	[Mg+2]
9LWE	A1EMA	InChI=1S/C11H8N2OS/c12-10(14)9-5-7-6-3-1-2-4-8(6)13-11(7)15-9/h1-5,13H,(H2,12,14)	c1ccc2c(c1)c3cc(sc3[nH]2)C(=O)N
9LWE	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
9N29	2PM	InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3	CN(C)CCOC(c1ccccc1)c2ccccc2
9O6R	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9O6R	XEU	InChI=1S/C29H26N2O4S/c1-19-13-15-21(16-14-19)36-26-12-5-4-11-24(26)30-29(35)25(17-18-27(32)33)31-28(34)23-10-6-8-20-7-2-3-9-22(20)23/h2-16,25H,17-18H2,1H3,(H,30,35)(H,31,34)(H,32,33)/t25-/m0/s1	Cc1ccc(cc1)Sc2ccccc2NC(=O)[C@H](CCC(=O)O)NC(=O)c3cccc4c3cccc4
9PH8	MN	InChI=1S/Mn/q+2	[Mn+2]
9PH8	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
9PH8	ZN	InChI=1S/Zn/q+2	[Zn+2]
9PH9	G3A	InChI=1S/C20H27N10O17P3/c21-14-8-15(24-3-23-14)29(4-25-8)18-12(33)10(31)6(44-18)1-42-48(36,37)46-50(40,41)47-49(38,39)43-2-7-11(32)13(34)19(45-7)30-5-26-9-16(30)27-20(22)28-17(9)35/h3-7,10-13,18-19,31-34H,1-2H2,(H,36,37)(H,38,39)(H,40,41)(H2,21,23,24)(H3,22,27,28,35)/t6-,7-,10-,11-,12-,13-,18-,19-/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)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N
9PH9	MN	InChI=1S/Mn/q+2	[Mn+2]
9PH9	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
9PH9	SAH	InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N
9PH9	ZN	InChI=1S/Zn/q+2	[Zn+2]
9PIC	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9PIC	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
9PIC	SCN	InChI=1S/CHNS/c2-1-3/h3H/p-1	C(#N)[S-]
9PID	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9PID	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
9PJB	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9PJB	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
9PJB	NA	InChI=1S/Na/q+1	[Na+]
9PKB	3HE	InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1	C[C@H]1C[C@@H](C(=O)[C@@H](C1)[C@@H](CC2CC(=O)NC(=O)C2)O)C
9PKB	HMT	InChI=1S/C29H39NO9/c1-27(2,33)8-5-10-29(34,16-23(31)36-4)26(32)39-25-22(35-3)15-28-9-6-11-30(28)12-7-18-13-20-21(38-17-37-20)14-19(18)24(25)28/h13-15,24-25,33-34H,5-12,16-17H2,1-4H3/t24-,25-,28+,29-/m1/s1	CC(C)(CCC[C@@](CC(=O)OC)(C(=O)O[C@H]1[C@H]2c3cc4c(cc3CC[N@@]5[C@@]2(CCC5)C=C1OC)OCO4)O)O
9PKB	MG	InChI=1S/Mg/q+2	[Mg+2]
9PKB	SPD	InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2	C(CCNCCCN)CN
9PKB	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
9PKB	ZN	InChI=1S/Zn/q+2	[Zn+2]
9PKD	3HE	InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8-,9-,11-,12+/m0/s1	C[C@H]1C[C@@H](C(=O)[C@@H](C1)[C@@H](CC2CC(=O)NC(=O)C2)O)C
9PKD	HMT	InChI=1S/C29H39NO9/c1-27(2,33)8-5-10-29(34,16-23(31)36-4)26(32)39-25-22(35-3)15-28-9-6-11-30(28)12-7-18-13-20-21(38-17-37-20)14-19(18)24(25)28/h13-15,24-25,33-34H,5-12,16-17H2,1-4H3/t24-,25-,28+,29-/m1/s1	CC(C)(CCC[C@@](CC(=O)OC)(C(=O)O[C@H]1[C@H]2c3cc4c(cc3CC[N@@]5[C@@]2(CCC5)C=C1OC)OCO4)O)O
9PKD	MG	InChI=1S/Mg/q+2	[Mg+2]
9PKD	SPD	InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2	C(CCNCCCN)CN
9PKD	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
9PKD	ZN	InChI=1S/Zn/q+2	[Zn+2]
9PL3	HIS	InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m0/s1	c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N
9PL3	NI	InChI=1S/Ni/q+2	[Ni+2]
9PL4	HIS	InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m0/s1	c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N
9PL4	NI	InChI=1S/Ni/q+2	[Ni+2]
9PL4	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
9PL6	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
9PL6	HIS	InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m0/s1	c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N
9PL6	IMD	InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)/p+1	c1c[nH+]c[nH]1
9PL6	NI	InChI=1S/Ni/q+2	[Ni+2]
9PVL	CA	InChI=1S/Ca/q+2	[Ca+2]
9PVL	PE4	InChI=1S/C16H34O8/c1-2-18-5-6-20-9-10-22-13-14-24-16-15-23-12-11-21-8-7-19-4-3-17/h17H,2-16H2,1H3	CCOCCOCCOCCOCCOCCOCCOCCO
9PVL	PG4	InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2	C(COCCOCCOCCO)O
9RHH	PEG	InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2	C(COCCO)O
9RSE	1PE	InChI=1S/C10H22O6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h11-12H,1-10H2	C(COCCOCCOCCOCCO)O
9RSE	AGH	InChI=1S/C50H99NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-45(54)51-42(41-59-50-49(58)48(57)47(56)44(40-52)60-50)46(55)43(53)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h42-44,46-50,52-53,55-58H,3-41H2,1-2H3,(H,51,54)/t42-,43+,44+,46-,47-,48-,49+,50-/m0/s1	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O
9RSF	AGH	InChI=1S/C50H99NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-45(54)51-42(41-59-50-49(58)48(57)47(56)44(40-52)60-50)46(55)43(53)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h42-44,46-50,52-53,55-58H,3-41H2,1-2H3,(H,51,54)/t42-,43+,44+,46-,47-,48-,49+,50-/m0/s1	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O
9RSF	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9RSF	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
9RSY	1AC	InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7)	C1CC1(C(=O)O)N
9RSY	ASC	InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1	C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O
9RSY	FE2	InChI=1S/Fe/q+2	[Fe+2]
9RSZ	1AC	InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7)	C1CC1(C(=O)O)N
9RSZ	CO	InChI=1S/Co/q+2	[Co+2]
9RSZ	NHE	InChI=1S/C8H17NO3S/c10-13(11,12)7-6-9-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,10,11,12)	C1CCC(CC1)NCCS(=O)(=O)O
9RT0	192	InChI=1S/C5H9NO2/c6-5(4(7)8)2-1-3-5/h1-3,6H2,(H,7,8)	C1CC(C1)(C(=O)O)N
9RT0	FE2	InChI=1S/Fe/q+2	[Fe+2]
9RT1	A1JJF	InChI=1S/C6H11NO2/c1-2-4-3-6(4,7)5(8)9/h4H,2-3,7H2,1H3,(H,8,9)/t4-,6-/m1/s1	CC[C@@H]1C[C@@]1(C(=O)O)N
9RT1	FE2	InChI=1S/Fe/q+2	[Fe+2]
9RT5	1AC	InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7)	C1CC1(C(=O)O)N
9RT5	ASC	InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1	C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O
9RT5	FE	InChI=1S/Fe/q+3	[Fe+3]
9RTB	A1JJT	InChI=1S/3H2O.3O.2V/h3*1H2;;;;;/q;;;;;;+1;+2/p-3	O[V](=O)O[V](=O)(O)O
9RTB	BCT	InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1	C(=O)(O)[O-]
9RTB	FE	InChI=1S/Fe/q+3	[Fe+3]
9RTB	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-]
9RTC	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9RTC	G	InChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(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)COP(=O)(O)O)O)O)N=C(NC2=O)N
9RTC	NA	InChI=1S/Na/q+1	[Na+]
9RTF	BCT	InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1	C(=O)(O)[O-]
9RTF	FE	InChI=1S/Fe/q+3	[Fe+3]
9RTF	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-]
9RTF	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
9RTH	BCT	InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1	C(=O)(O)[O-]
9RTH	FE	InChI=1S/Fe/q+3	[Fe+3]
9RTH	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-]
9RTP	A1JJG	InChI=1S/C21H23ClN2O2/c1-14-8-9-16(11-19(14)20-7-4-10-24(20)15(2)25)12-21(26)23-18-6-3-5-17(22)13-18/h3,5-6,8-9,11,13,20H,4,7,10,12H2,1-2H3,(H,23,26)/t20-/m0/s1	Cc1ccc(cc1[C@@H]2CCCN2C(=O)C)CC(=O)Nc3cccc(c3)Cl
9RTP	ACT	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	CC(=O)[O-]
9RTQ	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
9RTQ	CA	InChI=1S/Ca/q+2	[Ca+2]
9RTQ	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9RTQ	PEG	InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2	C(COCCO)O
9RTR	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
9RTR	MG	InChI=1S/Mg/q+2	[Mg+2]
9RTS	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
9RTS	CA	InChI=1S/Ca/q+2	[Ca+2]
9RTS	NA	InChI=1S/Na/q+1	[Na+]
9RU6	5F0	InChI=1S/C5H9NO4/c1-10-5(9)3(6)2-4(7)8/h3H,2,6H2,1H3,(H,7,8)/t3-/m0/s1	COC(=O)[C@H](CC(=O)O)N
9RU6	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
9RU6	FES	InChI=1S/2Fe.2S	S1[Fe]S[Fe]1
9RU6	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
9RU6	K	InChI=1S/K/q+1	[K+]
9RU6	MG	InChI=1S/Mg/q+2	[Mg+2]
9RU6	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
9RU6	SPD	InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2	C(CCNCCCN)CN
9RU6	VOL	InChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/t5-/m1/s1	CC(C)[C@@H](CO)N
9RU6	ZN	InChI=1S/Zn/q+2	[Zn+2]
9RUD	ACT	InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1	CC(=O)[O-]
9RUD	NA	InChI=1S/Na/q+1	[Na+]
9RUD	PEG	InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2	C(COCCO)O
9RUD	PG4	InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2	C(COCCOCCOCCO)O
9RUD	PG6	InChI=1S/C12H26O6/c1-13-3-5-15-7-9-17-11-12-18-10-8-16-6-4-14-2/h3-12H2,1-2H3	COCCOCCOCCOCCOCCOC
9RUE	A1JJL	InChI=1S/C22H20N4O4/c27-20-8-6-15(12-19(20)26(29)30)7-9-21-23-18-14-25(11-10-17(18)22(28)24-21)13-16-4-2-1-3-5-16/h1-9,12,27H,10-11,13-14H2,(H,23,24,28)/b9-7-	c1ccc(cc1)CN2CCC3=C(C2)N=C(NC3=O)/C=C\c4ccc(c(c4)[N+](=O)[O-])O
9RUE	TLA	InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1	[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
9RUM	FAD	InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1	Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O
9RUM	NO3	InChI=1S/NO3/c2-1(3)4/q-1	[N+](=O)([O-])[O-]
9RUM	PEG	InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2	C(COCCO)O
9RUN	FAD	InChI=1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1	Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O
9RUN	NO3	InChI=1S/NO3/c2-1(3)4/q-1	[N+](=O)([O-])[O-]
9RUN	PEG	InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2	C(COCCO)O
9RUZ	A1JJR	InChI=1S/C16H14Br2N6O4S/c17-11-3-1-10(2-4-11)13-14(24-29(19,25)26)22-9-23-15(13)27-5-6-28-16-20-7-12(18)8-21-16/h1-4,7-9H,5-6H2,(H2,19,25,26)(H,22,23,24)	c1cc(ccc1c2c(ncnc2OCCOc3ncc(cn3)Br)NS(=O)(=O)N)Br
9RUZ	ZN	InChI=1S/Zn/q+2	[Zn+2]
9RV0	A1JJR	InChI=1S/C16H14Br2N6O4S/c17-11-3-1-10(2-4-11)13-14(24-29(19,25)26)22-9-23-15(13)27-5-6-28-16-20-7-12(18)8-21-16/h1-4,7-9H,5-6H2,(H2,19,25,26)(H,22,23,24)	c1cc(ccc1c2c(ncnc2OCCOc3ncc(cn3)Br)NS(=O)(=O)N)Br
9RV0	ZN	InChI=1S/Zn/q+2	[Zn+2]
9SN0	NA	InChI=1S/Na/q+1	[Na+]
9SN0	SCN	InChI=1S/CHNS/c2-1-3/h3H/p-1	C(#N)[S-]
9SWT	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
9SWT	NA	InChI=1S/Na/q+1	[Na+]
9T5H	ZN	InChI=1S/Zn/q+2	[Zn+2]
9T5J	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
9T5J	MG	InChI=1S/Mg/q+2	[Mg+2]
9TF9	9JI	InChI=1S/C26H27FN10/c1-26(28,20-3-5-22(27)6-4-20)21-13-29-25(30-14-21)36-9-7-35(8-10-36)24-23-11-18(16-37(23)33-17-31-24)19-12-32-34(2)15-19/h3-6,11-17H,7-10,28H2,1-2H3/t26-/m0/s1	C[C@](c1ccc(cc1)F)(c2cnc(nc2)N3CCN(CC3)c4c5cc(cn5ncn4)c6cnn(c6)C)N
9TFA	A1JVO	InChI=1S/C26H28FN7O2/c1-26(28,17-4-6-19(27)7-5-17)18-14-29-25(30-15-18)34-10-8-33(9-11-34)24-20-12-22(35-2)23(36-3)13-21(20)31-16-32-24/h4-7,12-16H,8-11,28H2,1-3H3/t26-/m0/s1	C[C@](c1ccc(cc1)F)(c2cnc(nc2)N3CCN(CC3)c4c5cc(c(cc5ncn4)OC)OC)N
9TFB	A1JVS	InChI=1S/C30H36FN7O4/c1-30(32,21-4-6-23(31)7-5-21)22-18-33-29(34-19-22)38-10-8-37(9-11-38)28-24-16-26(41-14-12-39-2)27(42-15-13-40-3)17-25(24)35-20-36-28/h4-7,16-20H,8-15,32H2,1-3H3/t30-/m0/s1	C[C@](c1ccc(cc1)F)(c2cnc(nc2)N3CCN(CC3)c4c5cc(c(cc5ncn4)OCCOC)OCCOC)N
9TFC	A1JVR	InChI=1S/C25H26FN7O2/c1-25(27,16-3-5-18(26)6-4-16)17-13-28-24(29-14-17)33-9-7-32(8-10-33)23-19-11-21(34)22(35-2)12-20(19)30-15-31-23/h3-6,11-15,34H,7-10,27H2,1-2H3/t25-/m0/s1	C[C@](c1ccc(cc1)F)(c2cnc(nc2)N3CCN(CC3)c4c5cc(c(cc5ncn4)OC)O)N
9TFD	A1JVQ	InChI=1S/C25H25N9/c1-31-16-22(15-29-31)21-12-23-24(28-18-30-34(23)17-21)32-7-9-33(10-8-32)25-26-13-20(14-27-25)11-19-5-3-2-4-6-19/h2-6,12-18H,7-11H2,1H3	Cn1cc(cn1)c2cc3c(ncnn3c2)N4CCN(CC4)c5ncc(cn5)Cc6ccccc6
9TFE	A1JV1	InChI=1S/C19H21N7/c20-18-21-7-6-17(24-18)25-8-10-26(11-9-25)19-22-13-16(14-23-19)12-15-4-2-1-3-5-15/h1-7,13-14H,8-12H2,(H2,20,21,24)	c1ccc(cc1)Cc2cnc(nc2)N3CCN(CC3)c4ccnc(n4)N
9TFF	A1JVP	InChI=1S/C21H21N7/c1-2-4-16(5-3-1)12-17-13-23-21(24-14-17)28-10-8-27(9-11-28)20-18-6-7-22-19(18)25-15-26-20/h1-7,13-15H,8-12H2,(H,22,25,26)	c1ccc(cc1)Cc2cnc(nc2)N3CCN(CC3)c4c5cc[nH]c5ncn4
9TFG	A1JVT	InChI=1S/C26H27N5O2/c1-32-24-15-21-22(16-25(24)33-2)27-9-8-23(21)30-10-12-31(13-11-30)26-28-17-20(18-29-26)14-19-6-4-3-5-7-19/h3-9,15-18H,10-14H2,1-2H3	COc1cc2c(ccnc2cc1OC)N3CCN(CC3)c4ncc(cn4)Cc5ccccc5
9TFH	A1JVW	InChI=1S/C24H24N6/c1-18-7-8-21-22(13-18)27-17-28-23(21)29-9-11-30(12-10-29)24-25-15-20(16-26-24)14-19-5-3-2-4-6-19/h2-8,13,15-17H,9-12,14H2,1H3	Cc1ccc2c(c1)ncnc2N3CCN(CC3)c4ncc(cn4)Cc5ccccc5
9TFI	A1JVV	InChI=1S/C29H34N6O4/c1-36-12-14-38-26-17-24-25(18-27(26)39-15-13-37-2)32-21-33-28(24)34-8-10-35(11-9-34)29-30-19-23(20-31-29)16-22-6-4-3-5-7-22/h3-7,17-21H,8-16H2,1-2H3	COCCOc1cc2c(cc1OCCOC)ncnc2N3CCN(CC3)c4ncc(cn4)Cc5ccccc5
9TFJ	A1JVZ	InChI=1S/C25H26N6O2/c1-32-22-13-20-21(14-23(22)33-2)28-17-29-24(20)30-8-10-31(11-9-30)25-26-15-19(16-27-25)12-18-6-4-3-5-7-18/h3-7,13-17H,8-12H2,1-2H3	COc1cc2c(cc1OC)ncnc2N3CCN(CC3)c4ncc(cn4)Cc5ccccc5
9TFK	A1JVY	InChI=1S/C26H24FN7/c1-26(29,19-6-8-21(27)9-7-19)20-16-31-25(32-17-20)34-12-10-33(11-13-34)24-18(14-28)15-30-23-5-3-2-4-22(23)24/h2-9,15-17H,10-13,29H2,1H3/t26-/m0/s1	C[C@](c1ccc(cc1)F)(c2cnc(nc2)N3CCN(CC3)c4c5ccccc5ncc4C#N)N
9TFL	A1JV0	InChI=1S/C26H26FN7O2/c1-26(28,18-4-6-20(27)7-5-18)19-14-29-25(30-15-19)34-11-9-33(10-12-34)23-21-8-3-17(24(35)36-2)13-22(21)31-16-32-23/h3-8,13-16H,9-12,28H2,1-2H3/t26-/m0/s1	C[C@](c1ccc(cc1)F)(c2cnc(nc2)N3CCN(CC3)c4c5ccc(cc5ncn4)C(=O)OC)N
9TFM	A1JVR	InChI=1S/C25H26FN7O2/c1-25(27,16-3-5-18(26)6-4-16)17-13-28-24(29-14-17)33-9-7-32(8-10-33)23-19-11-21(34)22(35-2)12-20(19)30-15-31-23/h3-6,11-15,34H,7-10,27H2,1-2H3/t25-/m0/s1	C[C@](c1ccc(cc1)F)(c2cnc(nc2)N3CCN(CC3)c4c5cc(c(cc5ncn4)OC)O)N
9TVT	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
9TZM	A1JYC	InChI=1S/C32H31N3O5Se/c1-21-26(6-4-8-29(21)24-5-3-7-28(12-24)41-2)20-39-27-10-9-25(17-35-30(18-36)32(37)38)31(13-27)40-19-23-11-22(14-33)15-34-16-23/h3-13,15-16,30,35-36H,17-20H2,1-2H3,(H,37,38)/t30-/m1/s1	Cc1c(cccc1c2cccc(c2)[Se]C)COc3ccc(c(c3)OCc4cc(cnc4)C#N)CN[C@H](CO)C(=O)O
9UEH	1BO	InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3	CCCCO
9UEH	A1EO1	InChI=1S/C15H19BFNO5/c17-5-6-18-10-7-11(8-10)22-12-2-1-9-3-4-16(21)23-14(9)13(12)15(19)20/h1-2,10-11,18,21H,3-8H2,(H,19,20)/t10-,11-	B1(CCc2ccc(c(c2O1)C(=O)O)OC3CC(C3)NCCF)O
9VEP	CA	InChI=1S/Ca/q+2	[Ca+2]
9VEP	D1D	InChI=1S/C4H8O2S2/c5-3-1-7-8-2-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1	C1[C@H]([C@@H](CSS1)O)O
9VEP	FMT	InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)	C(=O)O
9VIW	FE	InChI=1S/Fe/q+3	[Fe+3]
9VKJ	CXS	InChI=1S/C9H19NO3S/c11-14(12,13)8-4-7-10-9-5-2-1-3-6-9/h9-10H,1-8H2,(H,11,12,13)	C1CCC(CC1)NCCCS(=O)(=O)O
9VKJ	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
9VLV	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
9VLV	EH9	InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1	CCCCCC[C@H]([C@H](C)O)n1cnc2c1ncnc2N
9VLV	ZN	InChI=1S/Zn/q+2	[Zn+2]
9VMH	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
9VMH	BTN	InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1	C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2
9VMH	ZN	InChI=1S/Zn/q+2	[Zn+2]
9VOX	A1MAO	InChI=1S/C22H20N6O/c1-2-19(29)27-8-7-16(11-27)28-12-17(20-21(23)25-13-26-22(20)28)15-9-14-5-3-4-6-18(14)24-10-15/h2-6,9-10,12-13,16H,1,7-8,11H2,(H2,23,25,26)/t16-/m1/s1	C=CC(=O)N1CC[C@H](C1)n2cc(c3c2ncnc3N)c4cc5ccccc5nc4
9VOX	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9VOY	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9VOY	X9H	InChI=1S/C23H20N6O/c1-3-18(30)28-16-8-13(2)21-19(15-9-14-6-4-5-7-17(14)25-10-15)20-22(24)26-12-27-23(20)29(21)11-16/h3-10,12,16H,1,11H2,2H3,(H,28,30)(H2,24,26,27)/t16-/m0/s1	CC1=C[C@@H](Cn2c1c(c3c2ncnc3N)c4cc5ccccc5nc4)NC(=O)C=C
9VOZ	A1MAP	InChI=1S/C22H20N6O/c1-2-18(29)27-15-7-8-17-19(14-9-13-5-3-4-6-16(13)24-10-14)20-21(23)25-12-26-22(20)28(17)11-15/h2-6,9-10,12,15H,1,7-8,11H2,(H,27,29)(H2,23,25,26)/t15-/m0/s1	C=CC(=O)N[C@H]1CCc2c(c3c(ncnc3n2C1)N)c4cc5ccccc5nc4
9VRY	NDP	InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N
9VRZ	NDP	InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1	c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N
9VS0	NAP	InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1	c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N
9VSF	NA	InChI=1S/Na/q+1	[Na+]
9VSG	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
9VSG	MG	InChI=1S/Mg/q+2	[Mg+2]
9VSG	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-]
9VSH	FPP	InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(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/CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C
9VSH	MG	InChI=1S/Mg/q+2	[Mg+2]
9VSI	A1ETG	InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12+	CC(=CCC/C(=C/CCC(=C)C=C)/C)C
9VSI	MG	InChI=1S/Mg/q+2	[Mg+2]
9VSI	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-]
9VT5	A1ETI	InChI=1S/C28H19N3O2S2/c32-22-11-7-20(8-12-22)31(21-9-13-23(33)14-10-21)19-5-3-18(4-6-19)24-15-16-25(26-2-1-17-34-26)28-27(24)29-35-30-28/h1-17,32-33H	c1cc(sc1)c2ccc(c3c2nsn3)c4ccc(cc4)N(c5ccc(cc5)O)c6ccc(cc6)O
9VT7	NAP	InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1	c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N
9VTF	4LE	InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H/t1-/m0/s1	[C@@H](C(F)(F)F)(OC(F)F)Cl
9VTF	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
9VTI	MG	InChI=1S/Mg/q+2	[Mg+2]
9VTU	A1ETN	InChI=1S/C38H39F3N2O7S/c39-38(40,41)21-43(27-5-11-30(12-6-27)49-20-33(46)42-37-17-22-13-23(18-37)15-24(14-22)19-37)51(47,48)32-16-31-34(25-1-7-28(44)8-2-25)35(36(32)50-31)26-3-9-29(45)10-4-26/h1-12,22-24,31-32,36,44-45H,13-21H2,(H,42,46)/t22-,23+,24-,31-,32+,36+,37-/m0/s1	c1cc(ccc1C2=C([C@H]3[C@@H](C[C@@H]2O3)S(=O)(=O)N(CC(F)(F)F)c4ccc(cc4)OCC(=O)NC56CC7CC(C5)CC(C7)C6)c8ccc(cc8)O)O
9VTX	CGO	InChI=1S/C32H24N6O6S2.2Na/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34;;/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/b37-35+,38-36+;;	c1cc2c(cc(c(c2cc1)N)/N=N/c3ccc(cc3)c4ccc(cc4)/N=N/c5c(c6c(c(c5)S(=O)(=O)[O-][Na+])cccc6)N)S(=O)(=O)[O-][Na+]
9VTY	A1ETV	InChI=1S/C25H24N3O3S3/c1-15-6-12-20-22(23(15)34(29,30)31)33-25(28(20)5)17-9-13-19-21(14-17)32-24(27(19)4)16-7-10-18(11-8-16)26(2)3/h6-14H,1-5H3/q+1/p+1	Cc1ccc2c(c1S(=O)(=O)O)sc([n+]2C)c3ccc4c(c3)sc([n+]4C)c5ccc(cc5)N(C)C
9VTZ	A1ETR	InChI=1S/C21H22O9/c22-9-17-18(25)19(26)20(27)21(30-17)28-12-4-1-10(2-5-12)15-8-14(24)13-6-3-11(23)7-16(13)29-15/h1-7,15,17-23,25-27H,8-9H2/t15-,17+,18+,19-,20+,21+/m0/s1	c1cc(ccc1[C@@H]2CC(=O)c3ccc(cc3O2)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
9VTZ	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
9VTZ	YBG	InChI=1S/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38-43,46-50H,3-16,19-34H2,1-2H3,(H,51,52)/b18-17+/t35-,38-,39+,40-,41+,42+,43-/m0/s1	CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCC/C=C/CCCCCCCC
9VU0	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
9VU0	YBG	InChI=1S/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38-43,46-50H,3-16,19-34H2,1-2H3,(H,51,52)/b18-17+/t35-,38-,39+,40-,41+,42+,43-/m0/s1	CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCC/C=C/CCCCCCCC
9VU1	A1ETS	InChI=1S/C26H30O13/c27-9-19-20(31)21(32)22(39-25-23(33)26(34,10-28)11-35-25)24(38-19)36-14-4-1-12(2-5-14)17-8-16(30)15-6-3-13(29)7-18(15)37-17/h1-7,17,19-25,27-29,31-34H,8-11H2/t17-,19+,20+,21-,22+,23-,24+,25-,26+/m0/s1	c1cc(ccc1[C@@H]2CC(=O)c3ccc(cc3O2)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@](CO5)(CO)O)O
9VUD	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
9VUH	LZE	InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)	c1cc(c(c(c1)Cl)C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3)Cl
9VUS	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
9VV6	ITN	InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)	C=C(CC(=O)O)C(=O)O
9VVF	7YY	InChI=1S/C22H17ClF3N9O2/c1-32-7-12-4-18(13(23)5-17(12)30-32)28-20-29-21(36)35(9-19-27-10-33(2)31-19)22(37)34(20)8-11-3-15(25)16(26)6-14(11)24/h3-7,10H,8-9H2,1-2H3,(H,28,29,36)	Cn1cc2cc(c(cc2n1)Cl)NC3=NC(=O)N(C(=O)N3Cc4cc(c(cc4F)F)F)Cc5ncn(n5)C
9VVF	MG	InChI=1S/Mg/q+2	[Mg+2]
9W6X	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
9WE7	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
9WFO	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
9WFO	MX7	InChI=1S/C39H73O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37H,3-16,21-36H2,1-2H3,(H2,42,43,44)/b19-17-,20-18-/t37-/m1/s1	CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC
9WFO	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
9WFO	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
9WNV	8PF	InChI=1S/C8HF15O2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H,24,25)	C(=O)(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
9WNV	EOH	InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3	CCO
9WNV	NA	InChI=1S/Na/q+1	[Na+]
9WNV	PO4	InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3	[O-]P(=O)([O-])[O-]
9WNW	A1BLY	InChI=1S/C10HF19O2/c11-2(12,1(30)31)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h(H,30,31)	C(=O)(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
9WNW	EOH	InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3	CCO
9WNW	NA	InChI=1S/Na/q+1	[Na+]
9WNX	NA	InChI=1S/Na/q+1	[Na+]
9WNX	P8S	InChI=1S/C8HF17O3S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h(H,26,27,28)	C(C(C(C(C(F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F
9WNY	C8X	InChI=1S/C12H14O6/c13-5-7-17-11(15)9-1-2-10(4-3-9)12(16)18-8-6-14/h1-4,13-14H,5-8H2	c1cc(ccc1C(=O)OCCO)C(=O)OCCO
9WNZ	C8X	InChI=1S/C12H14O6/c13-5-7-17-11(15)9-1-2-10(4-3-9)12(16)18-8-6-14/h1-4,13-14H,5-8H2	c1cc(ccc1C(=O)OCCO)C(=O)OCCO
9WNZ	C9C	InChI=1S/C10H10O5/c11-5-6-15-10(14)8-3-1-7(2-4-8)9(12)13/h1-4,11H,5-6H2,(H,12,13)	c1cc(ccc1C(=O)O)C(=O)OCCO
9WNZ	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
9WNZ	IMD	InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)/p+1	c1c[nH+]c[nH]1
9WV6	A1EYQ	InChI=1S/C24H19F5N2O3/c25-17-2-5-20(22(10-17)34-24(27,28)29)14-1-4-19(16(9-14)13-32)15-7-8-31(12-15)23(33)21-6-3-18(26)11-30-21/h1-6,9-11,15,32H,7-8,12-13H2/t15-/m0/s1	c1cc(c(cc1c2ccc(cc2OC(F)(F)F)F)CO)[C@H]3CCN(C3)C(=O)c4ccc(cn4)F
9WV7	A1EYQ	InChI=1S/C24H19F5N2O3/c25-17-2-5-20(22(10-17)34-24(27,28)29)14-1-4-19(16(9-14)13-32)15-7-8-31(12-15)23(33)21-6-3-18(26)11-30-21/h1-6,9-11,15,32H,7-8,12-13H2/t15-/m0/s1	c1cc(c(cc1c2ccc(cc2OC(F)(F)F)F)CO)[C@H]3CCN(C3)C(=O)c4ccc(cn4)F
9X4F	MG	InChI=1S/Mg/q+2	[Mg+2]
9X64	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9X64	NO3	InChI=1S/NO3/c2-1(3)4/q-1	[N+](=O)([O-])[O-]
9Y56	A1CSI	InChI=1S/C34H41FN8O5/c1-22(47-3)31-28(42-15-13-41(14-16-42)17-18-46-2)10-12-30(40-31)39-27-21-38-43(32(27)33(36)44)25-8-5-23(6-9-25)20-37-34(45)26-19-24(35)7-11-29(26)48-4/h5-12,19,21-22H,13-18,20H2,1-4H3,(H2,36,44)(H,37,45)(H,39,40)/t22-/m0/s1	C[C@@H](c1c(ccc(n1)Nc2cnn(c2C(=O)N)c3ccc(cc3)CNC(=O)c4cc(ccc4OC)F)N5CCN(CC5)CCOC)OC
9Y56	IMD	InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)/p+1	c1c[nH+]c[nH]1
9Y57	A1CSJ	InChI=1S/C34H39FN8O5/c1-20-17-41(25-18-48-19-25)12-13-42(20)28-9-11-30(40-31(28)21(2)44)39-27-16-38-43(32(27)33(36)45)24-7-4-22(5-8-24)15-37-34(46)26-14-23(35)6-10-29(26)47-3/h4-11,14,16,20-21,25,44H,12-13,15,17-19H2,1-3H3,(H2,36,45)(H,37,46)(H,39,40)/t20-,21-/m0/s1	C[C@H]1CN(CCN1c2ccc(nc2[C@H](C)O)Nc3cnn(c3C(=O)N)c4ccc(cc4)CNC(=O)c5cc(ccc5OC)F)C6COC6
9Y57	IMD	InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)/p+1	c1c[nH+]c[nH]1
9Y5A	A1CSK	InChI=1S/C32H35FN8O4/c1-20-17-39(25-18-45-19-25)11-12-40(20)24-8-10-29(35-15-24)38-27-16-37-41(30(27)31(34)42)23-6-3-21(4-7-23)14-36-32(43)26-13-22(33)5-9-28(26)44-2/h3-10,13,15-16,20,25H,11-12,14,17-19H2,1-2H3,(H2,34,42)(H,35,38)(H,36,43)/t20-/m0/s1	C[C@H]1CN(CCN1c2ccc(nc2)Nc3cnn(c3C(=O)N)c4ccc(cc4)CNC(=O)c5cc(ccc5OC)F)C6COC6
9Y5A	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
9Y5A	IMD	InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)/p+1	c1c[nH+]c[nH]1
9Y5A	PG4	InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2	C(COCCOCCOCCO)O
9Y5B	A1CSL	InChI=1S/C30H31FN6O3/c1-40-27-11-6-22(31)16-25(27)30(39)34-17-19-2-9-24(10-3-19)37-28(29(32)38)26(18-35-37)36-23-7-4-20(5-8-23)21-12-14-33-15-13-21/h2-11,16,18,21,33,36H,12-15,17H2,1H3,(H2,32,38)(H,34,39)	COc1ccc(cc1C(=O)NCc2ccc(cc2)n3c(c(cn3)Nc4ccc(cc4)C5CCNCC5)C(=O)N)F
9Y5D	1PE	InChI=1S/C10H22O6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h11-12H,1-10H2	C(COCCOCCOCCOCCO)O
9Y5D	A1CSM	InChI=1S/C22H21F4N5O3/c1-11(22(24,25)26)18-17(27)19(20(28)32)31(30-18)14-6-3-12(4-7-14)10-29-21(33)15-9-13(23)5-8-16(15)34-2/h3-9,11H,10,27H2,1-2H3,(H2,28,32)(H,29,33)/t11-/m1/s1	C[C@H](c1c(c(n(n1)c2ccc(cc2)CNC(=O)c3cc(ccc3OC)F)C(=O)N)N)C(F)(F)F
9Y5D	DMS	InChI=1S/C2H6OS/c1-4(2)3/h1-2H3	CS(=O)C
9Y5D	IMD	InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)/p+1	c1c[nH+]c[nH]1
9Y5E	A1CSG	InChI=1S/C25H34N8O2/c1-31-13-14-33(25(31)35)20-3-2-12-32(16-20)21-15-28-22(23(26)34)24(30-21)29-19-6-4-17(5-7-19)18-8-10-27-11-9-18/h4-7,15,18,20,27H,2-3,8-14,16H2,1H3,(H2,26,34)(H,29,30)/t20-/m0/s1	CN1CCN(C1=O)[C@H]2CCCN(C2)c3cnc(c(n3)Nc4ccc(cc4)C5CCNCC5)C(=O)N
9Y60	A1CSP	InChI=1S/C10H9Cl2NO2/c11-7-1-6(2-8(12)3-7)9-4-13-10(14)5-15-9/h1-3,9H,4-5H2,(H,13,14)/t9-/m0/s1	c1c(cc(cc1Cl)Cl)[C@@H]2CNC(=O)CO2
9Y61	A1CSQ	InChI=1S/C39H49Cl2FN6O5/c1-25-2-3-27(22-32(25)48-13-7-33(49)44-38(48)52)37(51)47-14-10-39(11-15-47)8-4-26(5-9-39)23-46-18-16-45(17-19-46)12-6-31-36(53-24-34(50)43-31)28-20-29(40)35(42)30(41)21-28/h2-3,20-22,26,31,36H,4-19,23-24H2,1H3,(H,43,50)(H,44,49,52)/t31-,36+/m1/s1	Cc1ccc(cc1N2CCC(=O)NC2=O)C(=O)N3CCC4(CCC(CC4)CN5CCN(CC5)CC[C@@H]6[C@@H](OCC(=O)N6)c7cc(c(c(c7)Cl)F)Cl)CC3
9Y61	ZN	InChI=1S/Zn/q+2	[Zn+2]
9YT9	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
9YVX	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9YVY	NA	InChI=1S/Na/q+1	[Na+]
9Z4I	NA	InChI=1S/Na/q+1	[Na+]
9Z4J	CA	InChI=1S/Ca/q+2	[Ca+2]
9Z4J	ZN	InChI=1S/Zn/q+2	[Zn+2]
9Z7Q	ZN	InChI=1S/Zn/q+2	[Zn+2]
9Z7V	ZN	InChI=1S/Zn/q+2	[Zn+2]
9Z7X	ZN	InChI=1S/Zn/q+2	[Zn+2]
9ZQV	CL	InChI=1S/ClH/h1H/p-1	[Cl-]
9ZQV	EDO	InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2	C(CO)O
9ZQV	IOD	InChI=1S/HI/h1H/p-1	[I-]
9ZY0	ZN	InChI=1S/Zn/q+2	[Zn+2]
9ZY1	ZN	InChI=1S/Zn/q+2	[Zn+2]