smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCN(CCNc2cc3c(=O)n(CCN4CCOCC4)c(=O)c4c(NCCN5CCN(C)CC5)cc5c(=O)n(CCN6CCOCC6)c(=O)c2c5c34)CC1	ZINC000095591620	562775721	/nfs/dbraw/zinc/77/57/21/562775721.db2.gz	ZEYIYXAIEZCREK-UHFFFAOYSA-N	0	3	774.968	-0.951	1	5		KBBFHN
COC(=O)[C@H](N)CCC[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)NCCCNc1ccc([N+](=O)[O-])c2[nH]c3ccccc3c(=O)c12)C(N)=O	ZINC000195514049	562872102	/nfs/dbraw/zinc/87/21/02/562872102.db2.gz	DGLZPEQFAHNMQL-YPIYEQTHSA-N	0	3	697.750	-0.239	1	5		KBBFHN
CCOC(=O)N1CCN([N+]([O-])=NOc2cc(O[N-][N+](=O)N3CCN(C(=O)OC)CC3)c([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000377840038	562896246	/nfs/dbraw/zinc/89/62/46/562896246.db2.gz	FYPAHBWIZPFGIF-UHFFFAOYSA-N	0	3	588.491	-0.354	1	5		KBBFHN