smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH2+][C@@H](CO[P@@](=O)([O-])O)C(C)=O	84757010	168036349	/nfs/dbraw/zinc/03/63/49/168036349.db2.gz	SJOWPHHBVLXJHH-YFKPBYRVSA-N	0	2	197.127	-0.727	1	0	in-man	ABAFLN
C[NH2+][C@@H](CO[P@](=O)([O-])O)C(C)=O	84757010	168036352	/nfs/dbraw/zinc/03/63/52/168036352.db2.gz	SJOWPHHBVLXJHH-YFKPBYRVSA-N	0	2	197.127	-0.727	1	0	in-man	ABAFLN
[NH3+]CCS[P@@](=O)([O-])O	3872179	169193285	/nfs/dbraw/zinc/19/32/85/169193285.db2.gz	RZPNFYXFSHGGBE-UHFFFAOYSA-N	0	2	157.131	-0.229	1	0	in-vitro	ABAFLN
[NH3+]CCS[P@](=O)([O-])O	3872179	169193286	/nfs/dbraw/zinc/19/32/86/169193286.db2.gz	RZPNFYXFSHGGBE-UHFFFAOYSA-N	0	2	157.131	-0.229	1	0	in-vitro	ABAFLN
[NH3+]C[C@@H](O)CS[P@@](=O)([O-])O	31371897	169205560	/nfs/dbraw/zinc/20/55/60/169205560.db2.gz	AWFDOAUBMAHQFU-GSVOUGTGSA-N	0	2	187.157	-0.868	1	0	in-vitro	ABAFLN
[NH3+]C[C@@H](O)CS[P@](=O)([O-])O	31371897	169205561	/nfs/dbraw/zinc/20/55/61/169205561.db2.gz	AWFDOAUBMAHQFU-GSVOUGTGSA-N	0	2	187.157	-0.868	1	0	in-vitro	ABAFLN
[NH3+]C[C@H](O)CS[P@@](=O)([O-])O	31371901	169212365	/nfs/dbraw/zinc/21/23/65/169212365.db2.gz	AWFDOAUBMAHQFU-VKHMYHEASA-N	0	2	187.157	-0.868	1	0	in-vitro	ABAFLN
[NH3+]C[C@H](O)CS[P@](=O)([O-])O	31371901	169212366	/nfs/dbraw/zinc/21/23/66/169212366.db2.gz	AWFDOAUBMAHQFU-VKHMYHEASA-N	0	2	187.157	-0.868	1	0	in-vitro	ABAFLN
[O-][n+]1cccc(O)c1	13511094	560217944	/nfs/dbraw/zinc/21/79/44/560217944.db2.gz	UUOCOSWXLKRDRD-UHFFFAOYSA-O	0	2	112.108	-0.083	1	0	in-vitro	ABAFLN
NC(=O)NC(Cc1c[nH+]c[nH]1)C(=O)[O-]	69488650	574416465	/nfs/dbraw/zinc/41/64/65/574416465.db2.gz	FGOKQNIDQFMELO-UHFFFAOYSA-N	0	2	198.182	-0.094	1	0	endogenous,in-vitro	ABAFLN
NC(=O)NC(Cc1c[nH]c[nH+]1)C(=O)[O-]	69488650	574416466	/nfs/dbraw/zinc/41/64/66/574416466.db2.gz	FGOKQNIDQFMELO-UHFFFAOYSA-N	0	2	198.182	-0.094	1	0	endogenous,in-vitro	ABAFLN
O=CNC(Cc1c[nH+]c[nH]1)C(=O)[O-]	69488750	574416494	/nfs/dbraw/zinc/41/64/94/574416494.db2.gz	LHVGZMDCBIUWDC-UHFFFAOYSA-N	0	2	183.167	-0.017	1	0	endogenous,in-vitro	ABAFLN
O=CNC(Cc1c[nH]c[nH+]1)C(=O)[O-]	69488750	574416495	/nfs/dbraw/zinc/41/64/95/574416495.db2.gz	LHVGZMDCBIUWDC-UHFFFAOYSA-N	0	2	183.167	-0.017	1	0	endogenous,in-vitro	ABAFLN