smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)CC[C@H]1C[N@H+](Cc2ccc(OC)cc2O)CC[C@H]1[NH+]1CCN(c2ccccc2OC)CC1	ZINC000012159559	555929950	/nfs/dbraw/zinc/92/99/50/555929950.db2.gz	IHIJCPHGWNUCII-XUZZJYLKSA-N	2	2	497.636	3.375	10	10		JGCELP
COC(=O)CC[C@H]1C[N@@H+](Cc2ccc(OC)cc2O)CC[C@H]1[NH+]1CCN(c2ccccc2OC)CC1	ZINC000012159559	555929953	/nfs/dbraw/zinc/92/99/53/555929953.db2.gz	IHIJCPHGWNUCII-XUZZJYLKSA-N	2	2	497.636	3.375	10	10		JGCELP
CC[NH+]1CCN(C(=O)c2ccc3cc[nH+]c(N4CCN(c5ccc(OC)cc5)CC4)c3c2)CC1	ZINC000065002044	521670865	/nfs/dbraw/zinc/67/08/65/521670865.db2.gz	XZCHIJSSRLZAIY-UHFFFAOYSA-N	2	2	459.594	3.348	10	10		JGCELP
COc1ccc(N2CCN(c3[nH+]ccc4ccc(C(=O)NCC[NH+]5CCCC5)cc43)CC2)cc1	ZINC000065002090	524438855	/nfs/dbraw/zinc/43/88/55/524438855.db2.gz	MWXLRCNTCFTHDN-UHFFFAOYSA-N	2	2	459.594	3.396	10	10		JGCELP