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-])c1cnc2c(ccc3c(=O)c([N+](=O)[O-])c[n-]c32)c1	ZINC000033963271	304279323	/nfs/dbraw/zinc/27/93/23/304279323.db2.gz	WNSJJSZSXGEBFT-UHFFFAOYSA-N	-2	0	285.215	2.095	10	5		CEBERL
O=C([O-])c1cccc2nc3cccc(C(=O)[O-])c3nc21	ZINC000200398573	344527130	/nfs/dbraw/zinc/52/71/30/344527130.db2.gz	QHFMHXVKCZSUMG-UHFFFAOYSA-N	-2	0	268.228	2.179	10	5		CEBERL
O=C([O-])c1ccc2cc(F)c3ccc(C(=O)[O-])nc3c2n1	ZINC000498036515	344923871	/nfs/dbraw/zinc/92/38/71/344923871.db2.gz	IXJVURJZYWYSNU-UHFFFAOYSA-N	-2	0	286.218	2.319	10	5		CEBERL
O=C([O-])c1cc(=O)c2c([O-])c3cc(O)ccc3oc-2c1	ZINC000077257232	304226372	/nfs/dbraw/zinc/22/63/72/304226372.db2.gz	USCSVMOJRMFVQL-UHFFFAOYSA-N	-2	0	272.212	2.056	10	5		CEBERL
O=C([O-])c1c(=O)oc2cc3ccccc3cc2c1[O-]	ZINC000059383455	526339750	/nfs/dbraw/zinc/33/97/50/526339750.db2.gz	DSIPNENMZTYATL-UHFFFAOYSA-N	-2	0	256.213	2.350	10	5		CEBERL
Cc1cc(=O)c2c([O-])c3c([O-])cccc3c(=O)oc-2c1	ZINC000225447042	394468119	/nfs/dbraw/zinc/46/81/19/394468119.db2.gz	GXBVJTTXZBEHQB-UHFFFAOYSA-N	-2	0	270.240	2.026	10	5		CEBERL
Cc1ccc(C(=O)[O-])c2nc3c(cccc3C(=O)[O-])nc12	ZINC000584616003	344965939	/nfs/dbraw/zinc/96/59/39/344965939.db2.gz	OJHOOSNFEYFTFF-UHFFFAOYSA-N	-2	0	282.255	2.488	10	5		CEBERL
O=c1c2ccc(OC(F)(F)F)cc2[n-]c([O-])c1[N+](=O)[O-]	ZINC000142956660	344404323	/nfs/dbraw/zinc/40/43/23/344404323.db2.gz	YECROMYYDLOGOW-UHFFFAOYSA-N	-2	0	290.153	2.453	10	5		CEBERL
COc1cc([O-])cc2oc3cc(O)cc(=O)c-3c([O-])c12	ZINC000014764539	361460039	/nfs/dbraw/zinc/46/00/39/361460039.db2.gz	FTDPMUIYQFTFJU-UHFFFAOYSA-N	-2	0	274.228	2.072	10	5		CEBERL
O=C([O-])c1ccc2oc3ccc(C(=O)[O-])cc3c(=O)c2c1	ZINC000039209305	174165761	/nfs/dbraw/zinc/16/57/61/174165761.db2.gz	VTHXIEPVAZPNKK-UHFFFAOYSA-N	-2	0	284.223	2.343	10	5		CEBERL