smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N2CC[NH+]([C@@H](CNC(=O)C(=O)NCC[NH+](C)C)c3cccnc3)CC2)cc1	ZINC000016913651	556177537	/nfs/dbraw/zinc/17/75/37/556177537.db2.gz	PDKPSLLHWREACM-QFIPXVFZSA-N	2	2	454.575	0.748	50	10		JCCALP
COc1ccc(N2CC[NH+]([C@H](CNC(=O)C(=O)NCC[NH+](C)C)c3cccnc3)CC2)cc1	ZINC000016913654	556177502	/nfs/dbraw/zinc/17/75/02/556177502.db2.gz	PDKPSLLHWREACM-JOCHJYFZSA-N	2	2	454.575	0.748	50	10		JCCALP
CC1(C)OCC([N+](=O)[O-])([N+](=O)Nc2nonc2N[N+](=O)C2([N+](=O)[O-])COC(C)(C)OC2)CO1	ZINC000225422899	569996160	/nfs/dbraw/zinc/99/61/60/569996160.db2.gz	KUKRQUGMVLIPDP-UHFFFAOYSA-N	2	2	478.375	0.552	50	10		JCCALP