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=C/c1ccc([O-])cc1Cl	2582765	169334437	/nfs/dbraw/zinc/33/44/37/169334437.db2.gz	PMPIDLFVGUWKOT-DUXPYHPUSA-N	-2	3	198.605	2.143	50	0		AEAAHL
O=C([O-])c1cc([O-])c2ccsc2c1	72228328	169356415	/nfs/dbraw/zinc/35/64/15/169356415.db2.gz	BHLSCQWDKXVESZ-UHFFFAOYSA-N	-2	3	194.211	2.305	50	0		AEAAHL
O=C([O-])c1cc([O-])c2sccc2c1	98095830	169356667	/nfs/dbraw/zinc/35/66/67/169356667.db2.gz	NEGUYZPTEJBCNN-UHFFFAOYSA-N	-2	3	194.211	2.305	50	0	in-vitro	AEAAHL
[O-]c1ccc(Cl)c([O-])c1Cl	6091756	171019952	/nfs/dbraw/zinc/01/99/52/171019952.db2.gz	FZIBSPRUZZLSGL-UHFFFAOYSA-N	-2	3	179.002	2.405	50	0	in-vitro	AEAAHL
[O-]c1cc([O-])c(Cl)cc1Cl	388201	351277262	/nfs/dbraw/zinc/27/72/62/351277262.db2.gz	GRLQBYQELUWBIO-UHFFFAOYSA-N	-2	3	179.002	2.405	50	0		AEAAHL
[O-]c1cccc2oc(=S)[n-]c12	1855248	351300354	/nfs/dbraw/zinc/30/03/54/351300354.db2.gz	VNDCJUYCWFLPPM-UHFFFAOYSA-N	-2	3	167.189	2.196	50	0	in-vitro	AEAAHL
[O-]c1ccc2[n-]c(=S)sc2c1	45237300	351543235	/nfs/dbraw/zinc/54/32/35/351543235.db2.gz	SZNXHOMOAFJDRV-UHFFFAOYSA-N	-2	3	183.257	2.291	50	0		AEAAHL
Cc1cc([O-])c(Cl)cc1C(=O)[O-]	108299174	573744919	/nfs/dbraw/zinc/74/49/19/573744919.db2.gz	RSBLFGDBRKECAV-UHFFFAOYSA-N	-2	3	186.594	2.052	50	0		AEAAHL