smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1C=Cc2cc(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])c2C1=NNc1ccccc1	ZINC000271773246	571314417	/nfs/dbraw/zinc/31/44/17/571314417.db2.gz	AISAHCWGHHGKRJ-UHFFFAOYSA-N	-2	0	408.413	1.592	40	30		HDEBRL
COc1cc(-c2[nH]c(=O)[n-]c(=O)c2C#N)c(Br)c(Br)c1[O-]	ZINC000032099480	521892797	/nfs/dbraw/zinc/89/27/97/521892797.db2.gz	PKFKFOCRQPQSJA-UHFFFAOYSA-N	-2	0	417.013	1.841	40	30		HDEBRL
O=[N+]([O-])c1ccc([O-])c(/C=N/N2CCN(/N=C/c3cc([N+](=O)[O-])ccc3[O-])CC2)c1	ZINC000001700760	557281726	/nfs/dbraw/zinc/28/17/26/557281726.db2.gz	CNNJROHGOFQMMF-AYKLPDECSA-N	-2	0	414.378	1.900	40	30		HDEBRL
O=[N+]([O-])c1ccc([O-])c(/C=N/N2CCN(/N=C\c3cc([N+](=O)[O-])ccc3[O-])CC2)c1	ZINC000017422707	527369390	/nfs/dbraw/zinc/36/93/90/527369390.db2.gz	CNNJROHGOFQMMF-UHWBUFEVSA-N	-2	0	414.378	1.900	40	30		HDEBRL
O=[N+]([O-])c1ccc([O-])c(/C=N\N2CCN(/N=C\c3cc([N+](=O)[O-])ccc3[O-])CC2)c1	ZINC000004990756	557622099	/nfs/dbraw/zinc/62/20/99/557622099.db2.gz	CNNJROHGOFQMMF-YZLQMOBTSA-N	-2	0	414.378	1.900	40	30		HDEBRL