smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ncnc2c1ncn2[C@H]1O[C@H](CC[P@](=O)([O-])O)[C@@H]1CO	ZINC000026152903	202139145	/nfs/dbraw/zinc/13/91/45/202139145.db2.gz	PXJJAJWPCRPVLB-CVJICSNFSA-N	-1	1	329.253	-0.518	1	0		EBAFMM
Nc1nc2c(ncn2C[C@H]2O[C@@H]([P@](=O)([O-])O)C[C@H]2F)c(=O)[nH]1	ZINC000026828846	202148463	/nfs/dbraw/zinc/14/84/63/202148463.db2.gz	VBVGMMQMWZNEGY-PBXRRBTRSA-N	-1	1	333.216	-0.667	1	0		EBAFMM
Nc1ncnc2c1ncn2[C@H]1O[C@H](CCC[P@](=O)([O-])O)[C@@H]1CO	ZINC000029572044	202189579	/nfs/dbraw/zinc/18/95/79/202189579.db2.gz	RMJKEQYTRNXWGU-SXMVTHIZSA-N	-1	1	343.280	-0.128	1	0		EBAFMM
NC(=O)CC[C@@H](NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000050027360	571767698	/nfs/dbraw/zinc/76/76/98/571767698.db2.gz	NZCPCJCJZHKFGZ-DGCLKSJQSA-N	-1	1	332.360	-0.127	1	0	endogenous,in-man	EBAFMM
O=c1[n-]c(=O)n(COCCO)c(I)c1Cl	ZINC000005828823	201361559	/nfs/dbraw/zinc/36/15/59/201361559.db2.gz	APOOKOCAKSTGFR-UHFFFAOYSA-N	-1	1	346.508	-0.239	1	0		EBAFMM
O=C1CC[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2cc([O-])ccc21	ZINC000095912544	560057016	/nfs/dbraw/zinc/05/70/16/560057016.db2.gz	JIUJVEDQFZYETQ-RCZWDNKTSA-N	-1	1	340.328	-0.774	1	0	biogenic,in-vitro	EBAFMM
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CC[P@](=O)([O-])O)[C@@H]1CO	ZINC000026152888	202138553	/nfs/dbraw/zinc/13/85/53/202138553.db2.gz	PXJJAJWPCRPVLB-HFJPGXAFSA-N	-1	1	329.253	-0.518	1	0		EBAFMM
NC(=O)CC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000040439750	571761835	/nfs/dbraw/zinc/76/18/35/571761835.db2.gz	NZCPCJCJZHKFGZ-AAEUAGOBSA-N	-1	1	332.360	-0.127	1	0	endogenous,in-man	EBAFMM
CN(C)c1nc(N)nc2c1ncn2C[C@H](CF)OC[P@](=O)([O-])O	ZINC000071316611	203091455	/nfs/dbraw/zinc/09/14/55/203091455.db2.gz	RMYWEXCFNJNISV-ZETCQYMHSA-N	-1	1	348.275	-0.036	1	0		EBAFMM
Nc1nc2c(ncn2C[C@H](CCF)OC[P@](=O)([O-])O)c(=O)[nH]1	ZINC000026664367	202147082	/nfs/dbraw/zinc/14/70/82/202147082.db2.gz	XLNPCJWXNGGWEA-LURJTMIESA-N	-1	1	335.232	-0.418	1	0		EBAFMM
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CC[P@](=O)([O-])O)[C@@H]1CO	ZINC000026152881	202138864	/nfs/dbraw/zinc/13/88/64/202138864.db2.gz	PXJJAJWPCRPVLB-OKTBNZSVSA-N	-1	1	329.253	-0.518	1	0		EBAFMM
COC(=O)[C@@]1(O)c2c(oc3cccc([O-])c3c2=O)C[C@H](OC)[C@H]1O	ZINC000015258135	560229769	/nfs/dbraw/zinc/22/97/69/560229769.db2.gz	DKCFLWCWQILBFZ-DRZCJDIDSA-N	-1	1	336.296	-0.209	1	0	in-vitro	EBAFMM
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CC[P@](=O)([O-])O)[C@@H]1CO	ZINC000026152896	202138655	/nfs/dbraw/zinc/13/86/55/202138655.db2.gz	PXJJAJWPCRPVLB-MVKOHCKWSA-N	-1	1	329.253	-0.518	1	0		EBAFMM
Nc1nc2c(ncn2C[C@H](OC[P@](=O)([O-])O)C2CC2)c(=O)[nH]1	ZINC000026661936	202146858	/nfs/dbraw/zinc/14/68/58/202146858.db2.gz	TVQYATKQBBPNSQ-ZETCQYMHSA-N	-1	1	329.253	-0.368	1	0		EBAFMM
Nc1nc2c(ncn2C[C@H]2O[C@@H]([P@](=O)([O-])O)C[C@@H]2F)c(=O)[nH]1	ZINC000026832113	202149529	/nfs/dbraw/zinc/14/95/29/202149529.db2.gz	VBVGMMQMWZNEGY-JKUQZMGJSA-N	-1	1	333.216	-0.667	1	0		EBAFMM
Nc1nc2c(ncn2[C@@H]2C=C[C@@H](OC[P@](=O)([O-])O)C2)c(=O)[nH]1	ZINC000028261610	202168542	/nfs/dbraw/zinc/16/85/42/202168542.db2.gz	YZUVGBICEBOAKP-RNFRBKRXSA-N	-1	1	327.237	-0.277	1	0		EBAFMM
NC(=O)CC[C@H](NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000050027341	571766889	/nfs/dbraw/zinc/76/68/89/571766889.db2.gz	NZCPCJCJZHKFGZ-YPMHNXCESA-N	-1	1	332.360	-0.127	1	0	endogenous,in-man	EBAFMM
Nc1nc2nn(COCCCCC[P@](=O)([O-])O)nc2c(=O)[nH]1	ZINC000028016288	581100417	/nfs/dbraw/zinc/10/04/17/581100417.db2.gz	VZELQIWMEQWCRH-UHFFFAOYSA-N	-1	1	332.257	-0.581	1	0		EBAFMM
O=c1ccn(Cc2cn(CCCC[P@@](=O)([O-])O)nn2)c(=O)[nH]1	ZINC000103278352	219281273	/nfs/dbraw/zinc/28/12/73/219281273.db2.gz	RBZSWUQIWFHGNX-UHFFFAOYSA-N	-1	1	329.253	-0.866	1	0		EBAFMM
O=c1[n-]c(=O)n(COCCO)c(I)c1F	ZINC000005828825	210543198	/nfs/dbraw/zinc/54/31/98/210543198.db2.gz	JXSOXSXDGTWMSM-UHFFFAOYSA-N	-1	1	330.053	-0.753	1	0		EBAFMM
C[NH+](C)C[C@@H](Cn1cnc2c1ncnc2N)OCP(=O)([O-])[O-]	ZINC000040476769	213312880	/nfs/dbraw/zinc/31/28/80/213312880.db2.gz	YLEYZLIGAVKNLJ-QMMMGPOBSA-N	-1	1	330.285	-0.510	1	0		EBAFMM
N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000039814962	213242143	/nfs/dbraw/zinc/24/21/43/213242143.db2.gz	COEXAQSTZUWMRI-STQMWFEESA-N	-1	1	335.360	-0.546	1	0		EBAFMM
Cc1cn(Cc2cn(CCCC[P@](=O)([O-])O)nn2)c(=O)[nH]c1=O	ZINC000098052881	219073536	/nfs/dbraw/zinc/07/35/36/219073536.db2.gz	OWPSPUZNCRZARL-UHFFFAOYSA-N	-1	1	343.280	-0.557	1	0		EBAFMM
Nc1nc2c(ncn2[C@H]2C=C[C@@H](OC[P@](=O)([O-])O)O2)c(N)n1	ZINC000003915250	210094752	/nfs/dbraw/zinc/09/47/52/210094752.db2.gz	XCICMBULLHPGJZ-RITPCOANSA-N	-1	1	328.225	-0.446	1	0		EBAFMM
Nc1ncnc2c1ncn2[C@H]1CC=C([P@@](=O)([O-])O)O[C@H]1CO	ZINC000003626370	210069395	/nfs/dbraw/zinc/06/93/95/210069395.db2.gz	NZNVUYLNGGBIAL-BQBZGAKWSA-N	-1	1	327.237	-0.250	1	0		EBAFMM
Nc1ncnc2c1ncn2[C@H]1CC=C([P@](=O)([O-])O)O[C@H]1CO	ZINC000003626370	210069399	/nfs/dbraw/zinc/06/93/99/210069399.db2.gz	NZNVUYLNGGBIAL-BQBZGAKWSA-N	-1	1	327.237	-0.250	1	0		EBAFMM
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)[O-]	ZINC000035303429	213019773	/nfs/dbraw/zinc/01/97/73/213019773.db2.gz	CDBXVDXSLPLFMD-BPNCWPANSA-N	-1	1	349.387	-0.158	1	0		EBAFMM
NC(=O)CC[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000050027005	571765362	/nfs/dbraw/zinc/76/53/62/571765362.db2.gz	NZCPCJCJZHKFGZ-WCQYABFASA-N	-1	1	332.360	-0.127	1	0	endogenous,in-man	EBAFMM
Cc1ccc(C[N-]S(=O)(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1	ZINC000004339433	210174154	/nfs/dbraw/zinc/17/41/54/210174154.db2.gz	PEUHJIGXQYBZNM-UHFFFAOYSA-N	-1	1	338.389	-0.547	3	0		EBAFMM
O=c1[nH]c(=O)c(Cl)c(CSc2nc3cc[n-]n3c(=O)n2)[nH]1	ZINC000103288884	219284279	/nfs/dbraw/zinc/28/42/79/219284279.db2.gz	NFCVAYZBEVADLQ-UHFFFAOYSA-N	-1	1	326.725	-0.260	1	0		EBAFMM
O=c1[n-]c(=O)c(Cl)c(CSc2nc(=O)n3nccc3[nH]2)[nH]1	ZINC000103288884	219284281	/nfs/dbraw/zinc/28/42/81/219284281.db2.gz	NFCVAYZBEVADLQ-UHFFFAOYSA-N	-1	1	326.725	-0.260	1	0		EBAFMM
C[NH+](C)C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)([O-])[O-]	ZINC000040476770	213312590	/nfs/dbraw/zinc/31/25/90/213312590.db2.gz	YLEYZLIGAVKNLJ-MRVPVSSYSA-N	-1	1	330.285	-0.510	1	0		EBAFMM