smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[n-]c(C=Cc2cn(Cc3ccccc3)c3ccccc23)nc([O-])c1[N+](=O)[O-]	ZINC000009010487	204296498	/nfs/dbraw/zinc/29/64/98/204296498.db2.gz	ZMNKZFJQHPIBHL-ZHACJKMWSA-N	-2	0	388.383	3.557	50	5		GHBARL
O=c1[n-]c(C=Cc2ccc(Sc3ccc(Cl)cc3)o2)nc([O-])c1[N+](=O)[O-]	ZINC000009234932	204303696	/nfs/dbraw/zinc/30/36/96/204303696.db2.gz	FONJVHYKFZGSOO-XVNBXDOJSA-N	-2	0	391.792	3.952	50	5		GHBARL
O=C([O-])c1ccc(-c2c3ccc([O-])cc3oc3cc(=O)ccc2-3)c(C(=O)[O-])c1	ZINC000005030658	204105138	/nfs/dbraw/zinc/10/51/38/204105138.db2.gz	VPMWLNJETPKSSC-UHFFFAOYSA-N	-3	0	376.320	3.667	50	5		GHBARL
O=C([O-])c1cc(-c2ccccc2O)nc2ccc3cc(S(=O)(=O)[O-])ccc3c21	ZINC000006095506	204164649	/nfs/dbraw/zinc/16/46/49/204164649.db2.gz	XILPFXSKPIXATN-UHFFFAOYSA-N	-2	0	395.392	3.706	50	5		GHBARL
COc1cc(/C=C(\CC(=O)[O-])c2nc3ccccc3s2)cc([N+](=O)[O-])c1[O-]	ZINC000006580255	204184816	/nfs/dbraw/zinc/18/48/16/204184816.db2.gz	PVWJUJTUPBQIEB-IZZDOVSWSA-N	-2	0	386.385	3.934	50	5		GHBARL
O=C([O-])c1ccc(C(=O)[O-])c(-c2c3ccc([O-])cc3oc3cc(=O)ccc2-3)c1	ZINC000005248684	204121790	/nfs/dbraw/zinc/12/17/90/204121790.db2.gz	YILMHDCPZJTMGI-UHFFFAOYSA-N	-3	0	376.320	3.667	50	5		GHBARL
O=C([O-])c1ccc2c3nc4cc(Cl)ccc4n3c(=O)c3ccc(C(=O)[O-])c1c23	ZINC000001505073	206384903	/nfs/dbraw/zinc/38/49/03/206384903.db2.gz	UINNSXHKUBEPCC-UHFFFAOYSA-N	-2	0	392.754	3.642	50	5		GHBARL
COc1cc(/C=C(/CC(=O)[O-])c2nc3ccccc3s2)cc([N+](=O)[O-])c1[O-]	ZINC000096767473	206302293	/nfs/dbraw/zinc/30/22/93/206302293.db2.gz	PVWJUJTUPBQIEB-WDZFZDKYSA-N	-2	0	386.385	3.934	50	5		GHBARL
O=C([O-])COc1ccc2c(c1)oc1cc(=O)ccc-1c2-c1ccccc1C(=O)[O-]	ZINC000025762856	207306439	/nfs/dbraw/zinc/30/64/39/207306439.db2.gz	VQKDLLIKXLDPHW-UHFFFAOYSA-N	-2	0	390.347	3.726	50	5		GHBARL
CCCCOc1ccc2ccccc2c1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[n-]1	ZINC000009234831	898658751	/nfs/dbraw/zinc/65/87/51/898658751.db2.gz	GBXJKDHUCBDLSF-PKNBQFBNSA-N	-2	0	381.388	3.886	50	5		GHBARL
CC(C)(C)c1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc(C(C)(C)C)c1O	ZINC000017112392	210203959	/nfs/dbraw/zinc/20/39/59/210203959.db2.gz	DPEPOMZOVRDUIM-BQYQJAHWSA-N	-2	0	387.436	3.855	50	5		GHBARL
O=C([O-])c1cc(-c2cc([N+](=O)[O-])ccc2[O-])nc2n[nH]c(-c3ccccc3)c21	ZINC000020134804	210318680	/nfs/dbraw/zinc/31/86/80/210318680.db2.gz	GWGLJEGRPUNPBT-UHFFFAOYSA-N	-2	0	376.328	3.604	50	5		GHBARL
Cc1ccc(-c2[nH]nc3nc(-c4cc([N+](=O)[O-])ccc4[O-])cc(C(=O)[O-])c32)cc1	ZINC000020134767	210318517	/nfs/dbraw/zinc/31/85/17/210318517.db2.gz	GCJFJOVKHWVJSH-UHFFFAOYSA-N	-2	0	390.355	3.912	50	5		GHBARL
O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[N-]c1ccc([N+](=O)[O-])cc1Cl	ZINC000102095206	570840611	/nfs/dbraw/zinc/84/06/11/570840611.db2.gz	VUVYMAUSQDQQQB-UHFFFAOYSA-N	-2	0	382.672	3.506	50	5		GHBARL
O=c1[nH]c(C=Cc2ccc(-c3ccc(F)c(Cl)c3)o2)nc([O-])c1[N+](=O)[O-]	ZINC000033725898	570406256	/nfs/dbraw/zinc/40/62/56/570406256.db2.gz	QPYZOSBZCSTWSI-UTCJRWHESA-N	-2	0	377.715	3.607	50	5		GHBARL
O=c1[n-]c(C=Cc2cccc(OCc3ccc(Cl)cc3)c2)nc([O-])c1[N+](=O)[O-]	ZINC000016361586	221360312	/nfs/dbraw/zinc/36/03/12/221360312.db2.gz	YKRRCSOQGXOKKP-TWGQIWQCSA-N	-2	0	399.790	3.787	50	5		GHBARL
O=C([O-])c1ccccc1-c1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000005065477	570409256	/nfs/dbraw/zinc/40/92/56/570409256.db2.gz	REWWLEHJQSKSDP-UHFFFAOYSA-N	-2	0	378.340	3.918	50	5		GHBARL
O=c1[nH]c(C=Cc2ccc(-c3ccc(F)c(Cl)c3)o2)nc([O-])c1[N+](=O)[O-]	ZINC000017150132	570928550	/nfs/dbraw/zinc/92/85/50/570928550.db2.gz	QPYZOSBZCSTWSI-ZZXKWVIFSA-N	-2	0	377.715	3.607	50	5		GHBARL
O=c1[n-]c(C=Cc2ccc(-c3cccc(C(F)(F)F)c3)o2)nc([O-])c1[N+](=O)[O-]	ZINC000009010342	898635315	/nfs/dbraw/zinc/63/53/15/898635315.db2.gz	XHZJVJCNSYSOOK-ALCCZGGFSA-N	-2	0	393.277	3.833	50	5		GHBARL