smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC[NH+](C)CC1	ZINC000004985721	452830631	/nfs/dbraw/zinc/83/06/31/452830631.db2.gz	ASUCIABPQJDWAU-UHFFFAOYSA-N	2	2	329.400	3.381	50	5		EGBALP
C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC[NH+](C)CC1	ZINC000004985721	452830635	/nfs/dbraw/zinc/83/06/35/452830635.db2.gz	ASUCIABPQJDWAU-UHFFFAOYSA-N	2	2	329.400	3.381	50	5		EGBALP
O=[N+]([O-])c1ccccc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1	ZINC000023424932	212377408	/nfs/dbraw/zinc/37/74/08/212377408.db2.gz	DENHVMGXLUWONG-UHFFFAOYSA-N	2	2	325.412	3.349	50	5		EGBALP