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-])c1ccc(N=Cc2cccc([N+](=O)[O-])c2O)cc1	ZINC000254395409	383467098	/nfs/dbraw/zinc/46/70/98/383467098.db2.gz	KLQIXNPZJXDJSQ-UHFFFAOYSA-N	-1	2	286.243	2.749	50	30		CFEALM
CC1=C([O-])c2c(O)c(Cl)c(Cl)c(O)c2C(=O)C1=O	ZINC000100740729	375627311	/nfs/dbraw/zinc/62/73/11/375627311.db2.gz	LGTPFUFUFYEBOC-UHFFFAOYSA-N	-1	2	289.070	2.616	50	30		CFEALM
CC1=C([O-])C(=O)c2c(O)c(Cl)c(Cl)c(O)c2C1=O	ZINC000100740729	375627316	/nfs/dbraw/zinc/62/73/16/375627316.db2.gz	LGTPFUFUFYEBOC-UHFFFAOYSA-N	-1	2	289.070	2.616	50	30		CFEALM
O=C([O-])c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1	ZINC000022205038	304232619	/nfs/dbraw/zinc/23/26/19/304232619.db2.gz	PCLXYUVGDHCRSF-OVCLIPMQSA-N	-1	2	286.243	2.749	50	30		CFEALM
O=C([O-])CO/N=C/c1ccc(-c2ccccc2)cc1	ZINC000044125351	175143752	/nfs/dbraw/zinc/14/37/52/175143752.db2.gz	SRDCWWJSBCOQOS-MHWRWJLKSA-N	-1	2	255.273	2.789	50	30		CFEALM
C=CCc1c(C)nc2c(-c3ccccc3)c[n-]n2c1=O	ZINC000013557632	346232104	/nfs/dbraw/zinc/23/21/04/346232104.db2.gz	FFCUHDGSPGAXFE-UHFFFAOYSA-N	-1	2	265.316	2.727	50	30		CFEALM
O=C([O-])c1ccc(/N=C/c2cccc([N+](=O)[O-])c2O)cc1	ZINC000027467135	372340932	/nfs/dbraw/zinc/34/09/32/372340932.db2.gz	KLQIXNPZJXDJSQ-OVCLIPMQSA-N	-1	2	286.243	2.749	50	30		CFEALM
O=C([O-])c1cccc(/N=C/c2cccc([N+](=O)[O-])c2O)c1	ZINC000005125479	304255432	/nfs/dbraw/zinc/25/54/32/304255432.db2.gz	BRRJAUXHRZKSMY-OVCLIPMQSA-N	-1	2	286.243	2.749	50	30		CFEALM
O=C([O-])c1ccc(N=Cc2cc([N+](=O)[O-])ccc2O)cc1	ZINC000954190430	623783326	/nfs/dbraw/zinc/78/33/26/623783326.db2.gz	PCLXYUVGDHCRSF-UHFFFAOYSA-N	-1	2	286.243	2.749	50	30		CFEALM
O=C([O-])c1ccccc1/N=C/c1cc([N+](=O)[O-])ccc1O	ZINC000012375393	371955056	/nfs/dbraw/zinc/95/50/56/371955056.db2.gz	VWCWFOWOKCGIHW-OVCLIPMQSA-N	-1	2	286.243	2.749	50	30		CFEALM