smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(-c2cc(C(=O)[O-])c3c(ccc4ccccc43)n2)c(Br)cc1[O-]	ZINC000001004403	568762423	/nfs/dbraw/zinc/76/24/23/568762423.db2.gz	FVGKLBXFXKDAGQ-UHFFFAOYSA-N	-2	3	424.250	5.230	50	5		HKBAHL
COc1c([O-])cc2oc3cc(O)c(CC=C(C)C)c(=O)c-3c([O-])c2c1CC=C(C)C	ZINC000005430812	291293847	/nfs/dbraw/zinc/29/38/47/291293847.db2.gz	GNRIZKKCNOBBMO-UHFFFAOYSA-N	-2	3	410.466	5.089	50	5	aggregator,endogenous,in-man	HKBAHL
COc1c([O-])cc2oc3cc([O-])c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C	ZINC000005430812	291293848	/nfs/dbraw/zinc/29/38/48/291293848.db2.gz	GNRIZKKCNOBBMO-UHFFFAOYSA-N	-2	3	410.466	5.089	50	5	aggregator,endogenous,in-man	HKBAHL
CCCCCCc1cc2cc(-c3nc4ccc([N+](=O)[O-])cc4[n-]3)c(=O)oc2cc1[O-]	ZINC000020615314	568637970	/nfs/dbraw/zinc/63/79/70/568637970.db2.gz	QTGZVWNUCAWAHH-UHFFFAOYSA-N	-2	3	407.426	5.073	50	5		HKBAHL
CCCCCCc1cc2cc(-c3nc4cc([N+](=O)[O-])ccc4[n-]3)c(=O)oc2cc1[O-]	ZINC000020615314	568637973	/nfs/dbraw/zinc/63/79/73/568637973.db2.gz	QTGZVWNUCAWAHH-UHFFFAOYSA-N	-2	3	407.426	5.073	50	5		HKBAHL
O=c1c2cccc3c2c(c2ccc([O-])cc12)c1cccc2c(=O)c4cc([O-])ccc4c3c21	ZINC000025784154	558650063	/nfs/dbraw/zinc/65/00/63/558650063.db2.gz	CGRSFQZBJXWSJK-UHFFFAOYSA-N	-2	3	414.416	5.613	50	5		HKBAHL
CC(C)n1[n-]c(=O)c2c1nc1c3ccc(O)cc3oc1c2-c1ccc([O-])c(Cl)c1	ZINC000095478830	568631885	/nfs/dbraw/zinc/63/18/85/568631885.db2.gz	HZZHVHMSLYMURX-UHFFFAOYSA-N	-2	3	409.829	5.349	50	5		HKBAHL
O=C([O-])c1ccc(-c2ccc(-c3c4c[nH]nc4nc4c5ccc([O-])cc5oc43)o2)cc1	ZINC000217727112	569039085	/nfs/dbraw/zinc/03/90/85/569039085.db2.gz	VLAHVDJVBOQECD-UHFFFAOYSA-N	-2	3	411.373	5.188	50	5	biogenic	HKBAHL
O=C([O-])c1cccc(-c2ccc(-c3c4c[nH]nc4nc4c5ccc([O-])cc5oc43)o2)c1	ZINC000217865419	569039037	/nfs/dbraw/zinc/03/90/37/569039037.db2.gz	HTJMHXRGPWXYFZ-UHFFFAOYSA-N	-2	3	411.373	5.188	50	5	biogenic	HKBAHL