smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(Cl)cc1[C@@H](C)Oc1cc([O-])cc([O-])c1[N+](=O)[O-]	ZINC001228969748	1053215115	/nfs/dbraw/zinc/21/51/15/1053215115.db2.gz	BREVMYOPWCDLJG-SECBINFHSA-N	-2	3	323.732	4.108	20	5		DIBDHL
O=[N+]([O-])c1cc([O-])cc(Nc2cc(Cl)c([O-])cc2Cl)c1	ZINC001201223396	1048226749	/nfs/dbraw/zinc/22/67/49/1048226749.db2.gz	XYKRPKPRDZSMKD-UHFFFAOYSA-N	-2	3	315.112	4.056	20	5		DIBDHL
CCCC[C@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])c1ccccc1	ZINC001228971213	1053216645	/nfs/dbraw/zinc/21/66/45/1053216645.db2.gz	MBWFHGZSCLSTCC-HNNXBMFYSA-N	-2	3	317.341	4.316	20	5		DIBDHL
Cc1ccc(Cl)cc1[C@H](C)Oc1cc([O-])cc([O-])c1[N+](=O)[O-]	ZINC001228969750	1053215292	/nfs/dbraw/zinc/21/52/92/1053215292.db2.gz	BREVMYOPWCDLJG-VIFPVBQESA-N	-2	3	323.732	4.108	20	5		DIBDHL
O=[N+]([O-])c1cc([O-])cc(Nc2cc(Cl)cc(Cl)c2[O-])c1	ZINC001201221665	1048224260	/nfs/dbraw/zinc/22/42/60/1048224260.db2.gz	CXIQOCAXDYYZSE-UHFFFAOYSA-N	-2	3	315.112	4.056	20	5		DIBDHL
O=[N+]([O-])c1cc(Nc2cc(Cl)c(Cl)cc2[O-])ccc1[O-]	ZINC001210397730	1036682068	/nfs/dbraw/zinc/68/20/68/1036682068.db2.gz	FXZHMWFLIYYBBH-UHFFFAOYSA-N	-2	3	315.112	4.056	20	5		DIBDHL
O=c1[n-]c(-c2cc([O-])cc(F)c2)nc2cc3ccccc3cc12	ZINC000515089323	1042807578	/nfs/dbraw/zinc/80/75/78/1042807578.db2.gz	DJBPYRCZHFOYJN-UHFFFAOYSA-N	-2	3	306.296	4.000	20	5		DIBDHL
CCCC[C@@H](Oc1cc([O-])cc([O-])c1[N+](=O)[O-])c1ccccc1	ZINC001228971215	1053216134	/nfs/dbraw/zinc/21/61/34/1053216134.db2.gz	MBWFHGZSCLSTCC-OAHLLOKOSA-N	-2	3	317.341	4.316	20	5		DIBDHL
O=[N+]([O-])c1cc([O-])cc(Nc2ccc(Cl)c(Cl)c2[O-])c1	ZINC001201224484	1048227067	/nfs/dbraw/zinc/22/70/67/1048227067.db2.gz	OIENJQQWNQMTIX-UHFFFAOYSA-N	-2	3	315.112	4.056	20	5		DIBDHL