smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N=c1c(C(N)=O)cc2c(nc3ccccn3c2=O)n1CCC[NH+]1CCOCC1	ZINC000000788698	212181644	/nfs/dbraw/zinc/18/16/44/212181644.db2.gz	CXDMERSBQJMJTI-UHFFFAOYSA-N	1	1	382.424	-0.050	50	5		GBBAMO
O=[N+]([O-])c1ccc(N2CC[NH+](CCO)CC2)nc1N1CCN(CCO)CC1	ZINC000020223931	210323459	/nfs/dbraw/zinc/32/34/59/210323459.db2.gz	UUVQZBZHDLYFNJ-UHFFFAOYSA-N	1	1	380.449	-0.782	50	5		GBBAMO
CC[NH+]1CCN(c2nc(NCCN3CCOCC3)nc(N)c2[N+](=O)[O-])CC1	ZINC000020442231	221487940	/nfs/dbraw/zinc/48/79/40/221487940.db2.gz	PIAVGIVYQYDAHF-UHFFFAOYSA-N	1	1	380.453	-0.147	50	5		GBBAMO
NC(=O)[C@@H]1CN(c2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])CC[NH2+]1	ZINC000057425813	132452007	/nfs/dbraw/zinc/45/20/07/132452007.db2.gz	AEYAVMDPVCKLCN-LBPRGKRZSA-N	1	1	383.430	-0.357	50	5		GBBAMO