smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])c([O-])cc3[O-])c(=O)n2[C@H]1c1ccc(C)cc1	ZINC000408832320	570052798	/nfs/dbraw/zinc/05/27/98/570052798.db2.gz	RWJFMQPGBQSKKM-KEBMYNNESA-N	-2	1	495.513	2.426	40	5		JEBBML
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3cc([N+](=O)[O-])c([O-])cc3[O-])sc2=N1	ZINC000409034254	570106244	/nfs/dbraw/zinc/10/62/44/570106244.db2.gz	MZLHNULJOWKNIK-JZVSFUAJSA-N	-2	1	481.486	2.118	40	5		JEBBML
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])c([O-])cc3[O-])c(=O)n2[C@@H]1c1ccc(C)cc1	ZINC000408832310	570052821	/nfs/dbraw/zinc/05/28/21/570052821.db2.gz	RWJFMQPGBQSKKM-IDQDRXHYSA-N	-2	1	495.513	2.426	40	5		JEBBML
CCC1=C(C(=O)OC)[C@H](c2ccccc2)n2c(=O)/c(=C/c3cc([N+](=O)[O-])c([O-])cc3[O-])sc2=N1	ZINC000409034249	570106229	/nfs/dbraw/zinc/10/62/29/570106229.db2.gz	MZLHNULJOWKNIK-JYWRCUDFSA-N	-2	1	481.486	2.118	40	5		JEBBML