smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])[C@H](CO)NC(=O)c1cncc([O-])c1	ZINC000000182880	182285361	/nfs/dbraw/zinc/28/53/61/182285361.db2.gz	NKUUBZSAYZZZBH-ZETCQYMHSA-N	-2	1	226.188	-1.038	50	0		BAAAML
O=C([O-])[C@@H](CO)NC(=O)c1cncc([O-])c1	ZINC000000182882	182323556	/nfs/dbraw/zinc/32/35/56/182323556.db2.gz	NKUUBZSAYZZZBH-SSDOTTSWSA-N	-2	1	226.188	-1.038	50	0		BAAAML
N[C@@H](CS(=O)(=O)CC(=O)[O-])C(=O)[O-]	ZINC000001768908	538108658	/nfs/dbraw/zinc/10/86/58/538108658.db2.gz	PSVSDDKFFZCXRC-VKHMYHEASA-N	-2	1	211.195	-2.102	50	0		BAAAML
O=C([O-])CN(CC(=O)[O-])C[P@@](=O)([O-])O	ZINC000001787697	383936366	/nfs/dbraw/zinc/93/63/66/383936366.db2.gz	AZIHIQIVLANVKD-UHFFFAOYSA-N	-3	1	227.109	-1.407	50	0	in-vitro	BAAAML
O=C([O-])CCN(CC(=O)[O-])CC(=O)[O-]	ZINC000002527900	182443287	/nfs/dbraw/zinc/44/32/87/182443287.db2.gz	UWRBFYBQPCJRRL-UHFFFAOYSA-N	-3	1	205.166	-1.068	50	0		BAAAML
N[C@@H](CO)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000002597015	342725956	/nfs/dbraw/zinc/72/59/56/342725956.db2.gz	LAFKUZYWNCHOHT-WHFBIAKZSA-N	-2	1	234.208	-2.260	50	0	endogenous,in-man	BAAAML
N[C@H](CO)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000005273795	342761316	/nfs/dbraw/zinc/76/13/16/342761316.db2.gz	LAFKUZYWNCHOHT-UHNVWZDZSA-N	-2	1	234.208	-2.260	50	0	endogenous,in-man	BAAAML
N[C@H](CO)C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000005273796	342761196	/nfs/dbraw/zinc/76/11/96/342761196.db2.gz	LAFKUZYWNCHOHT-RFZPGFLSSA-N	-2	1	234.208	-2.260	50	0	endogenous,in-man	BAAAML
N[C@@H](CO)C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000005273797	342761190	/nfs/dbraw/zinc/76/11/90/342761190.db2.gz	LAFKUZYWNCHOHT-CRCLSJGQSA-N	-2	1	234.208	-2.260	50	0	endogenous,in-man	BAAAML
O=C([O-])CCN(CC(=O)[O-])C[P@@](=O)([O-])O	ZINC000005479804	386674411	/nfs/dbraw/zinc/67/44/11/386674411.db2.gz	CBHXEJUOZATVLT-UHFFFAOYSA-N	-3	1	241.136	-1.017	50	0		BAAAML
N[C@H](CS(=O)(=O)CC(=O)[O-])C(=O)[O-]	ZINC000006184883	537886515	/nfs/dbraw/zinc/88/65/15/537886515.db2.gz	PSVSDDKFFZCXRC-GSVOUGTGSA-N	-2	1	211.195	-2.102	50	0		BAAAML
O=C([O-])c1nc2c(=O)[n-]c(=O)[nH]c2[nH]c1=O	ZINC000008672837	342801832	/nfs/dbraw/zinc/80/18/32/342801832.db2.gz	INBMIKBNWMSDGM-UHFFFAOYSA-N	-2	1	224.132	-1.590	50	0		BAAAML
Nc1nc2c(c(=O)[n-]1)[C@H](C(=O)[O-])CC(=O)N2	ZINC000012297000	342848769	/nfs/dbraw/zinc/84/87/69/342848769.db2.gz	VSVWBIAPXAMJKY-UWTATZPHSA-N	-2	1	224.176	-1.138	50	0		BAAAML
Nc1nc2c(c(=O)[n-]1)[C@@H](C(=O)[O-])CC(=O)N2	ZINC000012297001	342848705	/nfs/dbraw/zinc/84/87/05/342848705.db2.gz	VSVWBIAPXAMJKY-REOHCLBHSA-N	-2	1	224.176	-1.138	50	0		BAAAML
O=c1c2ccccc2c(=O)c1=N[N-]c1nn[n-]n1	ZINC000015636573	355221746	/nfs/dbraw/zinc/22/17/46/355221746.db2.gz	KPMKFZADMYKOGO-UHFFFAOYSA-N	-2	1	242.198	-1.123	50	0		BAAAML
Cn1c2nc(N)[n-]c(=O)c2nc(C(=O)[O-])c1=O	ZINC000028538931	343547502	/nfs/dbraw/zinc/54/75/02/343547502.db2.gz	YJAYGCWNOOVXSV-UHFFFAOYSA-N	-2	1	237.175	-1.703	50	0		BAAAML
C[C@H](O)[C@H](NC[P@](=O)([O-])O)C(=O)[O-]	ZINC000075283655	356938705	/nfs/dbraw/zinc/93/87/05/356938705.db2.gz	YRDOGVNXYYUAGG-IMJSIDKUSA-N	-2	1	213.126	-1.455	50	0		BAAAML
C[C@@H](O)[C@H](NC[P@](=O)([O-])O)C(=O)[O-]	ZINC000075283656	356938872	/nfs/dbraw/zinc/93/88/72/356938872.db2.gz	YRDOGVNXYYUAGG-DMTCNVIQSA-N	-2	1	213.126	-1.455	50	0		BAAAML
C[C@H](O)[C@@H](NC[P@](=O)([O-])O)C(=O)[O-]	ZINC000075283659	356938923	/nfs/dbraw/zinc/93/89/23/356938923.db2.gz	YRDOGVNXYYUAGG-IUYQGCFVSA-N	-2	1	213.126	-1.455	50	0		BAAAML
C[C@@H](O)[C@@H](NC[P@](=O)([O-])O)C(=O)[O-]	ZINC000075283661	356938500	/nfs/dbraw/zinc/93/85/00/356938500.db2.gz	YRDOGVNXYYUAGG-QWWZWVQMSA-N	-2	1	213.126	-1.455	50	0		BAAAML
O=C([O-])[C@H]1CCCN1C(=O)c1nn[n-]n1	ZINC000087440075	386451072	/nfs/dbraw/zinc/45/10/72/386451072.db2.gz	UOCZJUXPUVDMDU-SCSAIBSYSA-N	-2	1	211.181	-1.111	50	0		BAAAML
O=C([O-])[C@@H]1CCN(C(=O)c2nn[n-]n2)C1	ZINC000087440238	384793483	/nfs/dbraw/zinc/79/34/83/384793483.db2.gz	HKOOIFDFJQISNA-SCSAIBSYSA-N	-2	1	211.181	-1.254	50	0		BAAAML
O=C([O-])[C@H]1CCN(C(=O)c2nn[n-]n2)C1	ZINC000087440240	384795404	/nfs/dbraw/zinc/79/54/04/384795404.db2.gz	HKOOIFDFJQISNA-BYPYZUCNSA-N	-2	1	211.181	-1.254	50	0		BAAAML