smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1cc(C(=O)C=Cc2ccc3c(c2)OCO3)c([O-])cc1[O-]	ZINC000073197580	203259788	/nfs/dbraw/zinc/25/97/88/203259788.db2.gz	SIUYNQHRXWNBJP-DUXPYHPUSA-N	-2	3	326.304	2.925	1	30		EFEFHL
N#Cc1cc(S(=O)(=O)[N-]c2cc([O-])cc3cccnc32)ccc1F	ZINC000035000890	213004335	/nfs/dbraw/zinc/00/43/35/213004335.db2.gz	UNJIEMDMXPMENR-UHFFFAOYSA-N	-2	3	343.339	2.752	1	30		EFEFHL
Cc1cccc(C(=O)Nc2cccc(C(=O)CC(=O)C(=O)[O-])c2)c1[O-]	ZINC000101617651	219147135	/nfs/dbraw/zinc/14/71/35/219147135.db2.gz	GDPVBHMSYSVKFB-DHDCSXOGSA-N	-2	3	341.319	2.662	1	30		EFEFHL
COc1cc(/C=N/[O-])c(-c2ccccc2/C=N/[O-])c(OC)c1OC	ZINC000040917310	213399198	/nfs/dbraw/zinc/39/91/98/213399198.db2.gz	XQFLBDCMATYBRE-VNIJRHKQSA-N	-2	3	330.340	2.996	1	30		EFEFHL
CN(O)C(=O)CC[C@H](c1ccc(Cl)c(Cl)c1)P(=O)([O-])[O-]	ZINC000072118579	216013034	/nfs/dbraw/zinc/01/30/34/216013034.db2.gz	UKTXVNQTYFYHAO-SNVBAGLBSA-N	-2	3	342.115	2.840	1	30		EFEFHL
CCCCCCCCCCCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000024951908	581094728	/nfs/dbraw/zinc/09/47/28/581094728.db2.gz	KKVZONPEMODBBG-UHFFFAOYSA-N	-4	3	346.297	2.909	1	30	in-vivo	EFEFHL
CN(O)C(=O)CC[C@@H](c1ccc(Cl)c(Cl)c1)P(=O)([O-])[O-]	ZINC000072118578	216012205	/nfs/dbraw/zinc/01/22/05/216012205.db2.gz	UKTXVNQTYFYHAO-JTQLQIEISA-N	-2	3	342.115	2.840	1	30		EFEFHL
COc1c2c(c([O-])c3c1C([O-])=C(OC)C(=O)C3=O)[C@H](C)OC(C)=C2	ZINC000014727462	560225270	/nfs/dbraw/zinc/22/52/70/560225270.db2.gz	JSXBFNZSZJSIMF-ZETCQYMHSA-N	-2	3	332.308	2.648	1	30	biogenic,in-vitro	EFEFHL
COc1c2c(c([O-])c3c1C(=O)C(OC)=C([O-])C3=O)[C@H](C)OC(C)=C2	ZINC000014727462	560225271	/nfs/dbraw/zinc/22/52/71/560225271.db2.gz	JSXBFNZSZJSIMF-ZETCQYMHSA-N	-2	3	332.308	2.648	1	30	biogenic,in-vitro	EFEFHL
CCCCCCCCCCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]	ZINC000034803918	581094698	/nfs/dbraw/zinc/09/46/98/581094698.db2.gz	SXBDBOGSDLDYIY-UHFFFAOYSA-N	-4	3	332.270	2.519	1	30		EFEFHL