smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2nc(C)cc(Nc3cccc([N+](=O)[O-])c3)c2c1	ZINC000005587574	181261000	/nfs/dbraw/zinc/26/10/00/181261000.db2.gz	ZDCWKTAFWVICHN-UHFFFAOYSA-N	0	3	309.325	4.204	10	5		DIBEHN
C[C@@H](Cc1cccs1)NCc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000073650896	331670449	/nfs/dbraw/zinc/67/04/49/331670449.db2.gz	SPUPXIBFLGFSLB-JTQLQIEISA-N	0	3	310.806	4.031	10	5		DIBEHN
Cc1ccc(Sc2ccccc2CN(C)C)c([N+](=O)[O-])c1	ZINC000021988728	182302322	/nfs/dbraw/zinc/30/23/22/182302322.db2.gz	WFFDLHPLYDVEBW-UHFFFAOYSA-N	0	3	302.399	4.116	10	5		DIBEHN
Cc1cccc2c(N3CCc4ccc([N+](=O)[O-])cc4C3)ccnc12	ZINC000301654398	336321107	/nfs/dbraw/zinc/32/11/07/336321107.db2.gz	HMDQRDCQKAHHDC-UHFFFAOYSA-N	0	3	319.364	4.014	10	5		DIBEHN
Cc1ccccc1[C@H](C)NCc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000061013501	333425584	/nfs/dbraw/zinc/42/55/84/333425584.db2.gz	DHSGEVBVBWVCHC-LBPRGKRZSA-N	0	3	304.777	4.407	10	5		DIBEHN