smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc([C@H](CNC(=O)C(=O)NCCN2CCOCC2)N2CC[NH+](C)CC2)cc1	ZINC000022809491	522247625	/nfs/dbraw/zinc/24/76/25/522247625.db2.gz	LBAOOPRSSNWNOI-NRFANRHFSA-N	1	0	446.596	-0.394	50	10		IBCARO
CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCCN2CCOCC2)N2CC[NH+](C)CC2)cc1	ZINC000022809498	522241540	/nfs/dbraw/zinc/24/15/40/522241540.db2.gz	LBAOOPRSSNWNOI-OAQYLSRUSA-N	1	0	446.596	-0.394	50	10		IBCARO
COc1c(O)c(C[NH+]2CCCCC2)c2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O	ZINC000079190948	563172852	/nfs/dbraw/zinc/17/28/52/563172852.db2.gz	PXKRADMBKLYNQM-DGOWFPMBSA-N	1	0	425.434	-0.215	50	10	biogenic	IBCARO