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(c1ccccc1)c1ccc([O-])c(O)c1[O-]	ZINC000000225866	342680624	/nfs/dbraw/zinc/68/06/24/342680624.db2.gz	HTQNYBBTZSBWKL-UHFFFAOYSA-N	-2	3	230.219	2.034	50	10	biogenic	BECAHL
O=c1oc2cc([O-])ccc2c2cc(O)c([O-])cc12	ZINC000095617867	388779573	/nfs/dbraw/zinc/77/95/73/388779573.db2.gz	HHXMEXZVPJFAIJ-UHFFFAOYSA-N	-2	3	244.202	2.063	50	10	endogenous,in-man	BECAHL
O=C([O-])c1cc2cc(O)c([O-])cc2s1	ZINC000059524448	386484437	/nfs/dbraw/zinc/48/44/37/386484437.db2.gz	WXMGXZXENPTLLY-UHFFFAOYSA-N	-2	3	210.210	2.011	50	10		BECAHL
O=C1C=C([O-])C=CC1=N[N-]c1nc[n-]c1[N+](=O)[O-]	ZINC000101384451	188223905	/nfs/dbraw/zinc/22/39/05/188223905.db2.gz	QMEPRXZUFMVQSN-OUKQBFOZSA-N	-3	3	249.186	2.145	50	10		BECAHL
O=C1C=C([O-])C=CC1=N[N-]c1nc[nH]c1[N+](=O)[O-]	ZINC000101384451	188223906	/nfs/dbraw/zinc/22/39/06/188223906.db2.gz	QMEPRXZUFMVQSN-OUKQBFOZSA-N	-2	3	249.186	2.145	50	10		BECAHL
O=S1(=O)[N-]c2ccc([O-])cc2-c2ccccc21	ZINC000005729561	357337581	/nfs/dbraw/zinc/33/75/81/357337581.db2.gz	LFLOGQYVKQABBB-UHFFFAOYSA-N	-2	3	247.275	2.173	50	10		BECAHL
O=C(C(=O)c1ccc([O-])cc1)c1ccc([O-])cc1	ZINC000002924369	383993509	/nfs/dbraw/zinc/99/35/09/383993509.db2.gz	FMYXOBBPXQZKKY-UHFFFAOYSA-N	-2	3	242.230	2.163	50	10		BECAHL