smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1c2cc(Cl)cc(Cl)c2oc2cc([O-])cc(O)c12	ZINC000030819575	567884894	/nfs/dbraw/zinc/88/48/94/567884894.db2.gz	JXQHWKHZHRASHW-UHFFFAOYSA-N	-1	1	297.093	3.664	50	5		CHBAMM
CSc1ccccc1[N-]C(=O)c1ccc([N+](=O)[O-])s1	ZINC000032958662	567884144	/nfs/dbraw/zinc/88/41/44/567884144.db2.gz	NOHXSOMLPXVXOB-UHFFFAOYSA-N	-1	1	294.357	3.631	50	5		CHBAMM
CC(C)(C)c1cc([N+](=O)[O-])c([O-])c(C(C)(C)C)c1	ZINC000019595547	570396105	/nfs/dbraw/zinc/39/61/05/570396105.db2.gz	GVKJWGRAPDVEMC-UHFFFAOYSA-N	-1	1	251.326	3.895	50	5		CHBAMM
O=c1c2ccc3ccccc3c2oc2cc([O-])cc(O)c12	ZINC000030819577	171623660	/nfs/dbraw/zinc/62/36/60/171623660.db2.gz	OMSPMYABSZAPJV-UHFFFAOYSA-N	-1	1	278.263	3.511	50	5		CHBAMM
O=c1c2c(O)cc([O-])cc2oc2ccc3ccccc3c12	ZINC000028655183	171569623	/nfs/dbraw/zinc/56/96/23/171569623.db2.gz	DPSVULZFFRWBMZ-UHFFFAOYSA-N	-1	1	278.263	3.511	50	5		CHBAMM
Cc1ccc([C@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])s1	ZINC000089656312	1128416013	/nfs/dbraw/zinc/41/60/13/1128416013.db2.gz	SJMSRHJOCRLFAJ-JTQLQIEISA-N	-1	1	292.360	3.521	50	5		CHBAMM
O=c1c2cc3ccccc3cc2oc2cc([O-])cc(O)c12	ZINC000028655167	567883925	/nfs/dbraw/zinc/88/39/25/567883925.db2.gz	MSAPVEXKCXYFIM-UHFFFAOYSA-N	-1	1	278.263	3.511	50	5		CHBAMM
Cc1ccc([C@@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])s1	ZINC000089656309	1129245328	/nfs/dbraw/zinc/24/53/28/1129245328.db2.gz	SJMSRHJOCRLFAJ-SNVBAGLBSA-N	-1	1	292.360	3.521	50	5		CHBAMM
CCCCOc1ccc2c(c1)oc1cc([O-])ccc1c2=O	ZINC000038490582	174143066	/nfs/dbraw/zinc/14/30/66/174143066.db2.gz	YFYUNKAICYPTDQ-UHFFFAOYSA-N	-1	1	284.311	3.831	50	5		CHBAMM
O=c1c(Cl)c2[n-]c3ccccc3nc-2c2ccccc12	ZINC000100400297	567913096	/nfs/dbraw/zinc/91/30/96/567913096.db2.gz	YWOBMBROAVJSKY-UHFFFAOYSA-N	-1	1	280.714	3.835	50	5		CHBAMM