smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=Cc1c([O-])c(C=O)c([O-])c(C(=O)/C=C/c2ccccc2)c1[O-]	ZINC000095486056	560061782	/nfs/dbraw/zinc/06/17/82/560061782.db2.gz	PDXQSSDSXZLOOB-VOTSOKGWSA-N	-3	0	312.277	2.325	1	30	biogenic,in-vitro	DEEFRL
CC(C)Cc1sc(C#N)nc1-c1ccc(P(=O)([O-])[O-])o1	ZINC000066099715	184388878	/nfs/dbraw/zinc/38/88/78/184388878.db2.gz	IXRARPHYYKOUNF-UHFFFAOYSA-N	-2	0	312.287	2.276	1	30		DEEFRL
CC(C)C[C@@H](N=Cc1c([O-])c2ccccc2oc1=O)C(=O)[O-]	ZINC000005977006	181302825	/nfs/dbraw/zinc/30/28/25/181302825.db2.gz	UPJQGDIHUVZKCV-VQGSWFTOSA-N	-2	0	303.314	2.417	1	30		DEEFRL
N#Cc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2C(=O)[O-])cc1	ZINC000027188304	190653601	/nfs/dbraw/zinc/65/36/01/190653601.db2.gz	ZIPYROOALATFKK-UHFFFAOYSA-N	-2	0	310.265	2.207	1	30		DEEFRL
N#Cc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2C(=O)[O-])cc1	ZINC000027109679	182463001	/nfs/dbraw/zinc/46/30/01/182463001.db2.gz	JYHHYGJLDQFCMN-UHFFFAOYSA-N	-2	0	310.265	2.207	1	30		DEEFRL
CCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-]	ZINC000032841036	571746486	/nfs/dbraw/zinc/74/64/86/571746486.db2.gz	DWBYHKXQHTVKTE-UHFFFAOYSA-N	-2	0	324.310	2.349	1	30	endogenous,in-man	DEEFRL
O=C1C(=O)C(c2ccc(O)cc2)=C([O-])C([O-])=C1c1ccc(O)cc1	ZINC000001731941	560184640	/nfs/dbraw/zinc/18/46/40/560184640.db2.gz	FKQQKMGWCJGUCS-UHFFFAOYSA-N	-2	0	324.288	2.488	1	30	biogenic,in-vitro	DEEFRL
CC(C)C[C@H](N=Cc1c([O-])c2ccccc2oc1=O)C(=O)[O-]	ZINC000005976987	181302784	/nfs/dbraw/zinc/30/27/84/181302784.db2.gz	UPJQGDIHUVZKCV-OPFCKLNOSA-N	-2	0	303.314	2.417	1	30		DEEFRL