smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCCCCCCCCC(=O)NCCO[P@](=O)([O-])O	ZINC000038690209	398557047	/nfs/dbraw/zinc/55/70/47/398557047.db2.gz	ORAPBJSIDIBMGA-UHFFFAOYSA-N	-1	2	307.327	2.519	10	30		DFEELM
C=CCCCCCCCCC(=O)NCCO[P@@](=O)([O-])O	ZINC000038690209	398557049	/nfs/dbraw/zinc/55/70/49/398557049.db2.gz	ORAPBJSIDIBMGA-UHFFFAOYSA-N	-1	2	307.327	2.519	10	30		DFEELM
O=[N+]([O-])c1ccc(O)c(C=Nc2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000254486644	398423027	/nfs/dbraw/zinc/42/30/27/398423027.db2.gz	JPGDTQYFKRXXJL-UHFFFAOYSA-N	-1	2	303.230	2.665	10	30		DFEELM
O=[N+]([O-])c1ccc(/N=C\c2cc([N+](=O)[O-])ccc2[O-])c(O)c1	ZINC000095938427	426374991	/nfs/dbraw/zinc/37/49/91/426374991.db2.gz	BUIYECCAUPUSOV-AUWJEWJLSA-N	-1	2	303.230	2.665	10	30		DFEELM
O=[N+]([O-])c1ccc(O)c(/C=N\c2cc([N+](=O)[O-])ccc2[O-])c1	ZINC000100456791	304803757	/nfs/dbraw/zinc/80/37/57/304803757.db2.gz	JPGDTQYFKRXXJL-AUWJEWJLSA-N	-1	2	303.230	2.665	10	30		DFEELM
O=[N+]([O-])c1ccc(N=Cc2cc([N+](=O)[O-])ccc2[O-])c(O)c1	ZINC000254790610	398422904	/nfs/dbraw/zinc/42/29/04/398422904.db2.gz	BUIYECCAUPUSOV-UHFFFAOYSA-N	-1	2	303.230	2.665	10	30		DFEELM