smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1c(=O)[n-]c(=O)[nH]c1NC[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-]	ZINC000003869495	574412074	/nfs/dbraw/zinc/41/20/74/574412074.db2.gz	RQRINYISXYAZKL-RPDRRWSUSA-N	-3	3	356.228	-3.751	10	0	endogenous,in-man	FAAEHL
Nc1c(=O)[n-]c(=O)[nH]c1N[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O	ZINC000004095611	560193481	/nfs/dbraw/zinc/19/34/81/560193481.db2.gz	LZEXYCAGPMYXLX-UMMCILCDSA-N	-3	3	354.212	-3.387	10	0	in-vitro,metabolite	FAAEHL
N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-]	ZINC000004533843	482532641	/nfs/dbraw/zinc/53/26/41/482532641.db2.gz	VPSHHQXIWLGVDD-ZLUOBGJFSA-N	-4	3	363.279	-3.208	10	0		FAAEHL
Nc1nc(N[C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(N)c(=O)[n-]1	ZINC000008217107	560207169	/nfs/dbraw/zinc/20/71/69/560207169.db2.gz	OCLCLRXKNJCOJD-UMMCILCDSA-N	-3	3	353.228	-2.686	10	0	in-vitro,metabolite	FAAEHL
Nc1nc2c([nH]c(=O)n2[C@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)c(=O)[n-]1	ZINC000012501484	574413065	/nfs/dbraw/zinc/41/30/65/574413065.db2.gz	AQIVLFLYHYFRKU-VPENINKCSA-N	-3	3	363.223	-2.247	10	0	endogenous,in-man	FAAEHL
O=C([O-])CN(CCN(CC(=O)[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-]	ZINC000031302649	208011742	/nfs/dbraw/zinc/01/17/42/208011742.db2.gz	RXHMBVBZOIQMJR-UHFFFAOYSA-N	-6	3	364.184	-1.970	10	0		FAAEHL
Nc1ncc([C@@H]2O[C@H](CO[P@](=O)([O-])CC(=O)[O-])[C@@H](O)[C@H]2O)c(=O)[n-]1	ZINC000033495120	208093977	/nfs/dbraw/zinc/09/39/77/208093977.db2.gz	ZOSCVGGQCLOVAV-YYNOVJQHSA-N	-3	3	365.235	-2.200	10	0		FAAEHL
N[C@@H](COP(=O)([O-])[O-])C(=O)N[C@@H](COP(=O)([O-])[O-])C(=O)[O-]	ZINC000034173456	482714029	/nfs/dbraw/zinc/71/40/29/482714029.db2.gz	PNAYBQVLHUSEEO-IMJSIDKUSA-N	-5	3	352.129	-2.898	10	0	in-vitro	FAAEHL
NC(=[NH2+])NCCC[C@H](N)C(=O)N[C@@H](C=CCP(=O)([O-])[O-])C(=O)[O-]	ZINC000034215824	483285160	/nfs/dbraw/zinc/28/51/60/483285160.db2.gz	BLNRPHBKOMCMBX-ABXVWLFBSA-N	-2	3	351.300	-2.120	10	0	in-vitro	FAAEHL
Nc1nc2c(c(=O)[n-]1)N[C@@H]1[C@H](N2)O[C@@H]2CO[P@@](=O)([O-])O[C@@H]2C1(O)O	ZINC000034962340	483695076	/nfs/dbraw/zinc/69/50/76/483695076.db2.gz	CZAKJJUNKNPTTO-AJFJRRQVSA-N	-2	3	363.223	-2.520	10	0	investigational	FAAEHL
N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000039833657	483691430	/nfs/dbraw/zinc/69/14/30/483691430.db2.gz	HMRAQFJFTOLDKW-GUBZILKMSA-N	-2	3	371.350	-2.809	10	0		FAAEHL
COCC(=O)N[C@@H](Cn1cc(Br)c(=O)[n-]c1=O)C(=O)[O-]	ZINC000067896262	207258347	/nfs/dbraw/zinc/25/83/47/207258347.db2.gz	MUEAPTBQDWYXGO-LURJTMIESA-N	-2	3	350.125	-1.485	10	0		FAAEHL
O=C1[N-]C(=O)C(=c2[nH]c(=C3C(=O)[N-]C(=O)NC3=O)c3ccccc32)C(=O)N1	ZINC000100048699	222233136	/nfs/dbraw/zinc/23/31/36/222233136.db2.gz	JSBMGPVJAADXIZ-UHFFFAOYSA-N	-2	3	367.277	-2.799	10	0		FAAEHL
C[C@H](N)C(=O)N[C@]1(C(=O)[O-])C[C@H](Sc2nc[nH]n2)[C@@H]2[C@@H](C(=O)[O-])[C@@H]21	ZINC000504275956	483697779	/nfs/dbraw/zinc/69/77/79/483697779.db2.gz	BBGHHIUQOKQCBW-XOUDCKLASA-N	-2	3	355.376	-1.097	10	0		FAAEHL
C[C@H](N)C(=O)N[C@]1(C(=O)[O-])C[C@H](Sc2nc[nH]n2)[C@@H]2[C@H](C(=O)[O-])[C@@H]21	ZINC000504275957	483698122	/nfs/dbraw/zinc/69/81/22/483698122.db2.gz	BBGHHIUQOKQCBW-YXCHPPDRSA-N	-2	3	355.376	-1.097	10	0		FAAEHL