smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)[C@@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O	ZINC000008034968	562938741	/nfs/dbraw/zinc/93/87/41/562938741.db2.gz	XDXDZDZNSLXDNA-LGVQOGFTSA-N	1	0	497.500	1.020	10	10		JDCERO
CC[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)C1)C(=O)c1c(O)cccc1C3=O	ZINC000003930321	562930112	/nfs/dbraw/zinc/93/01/12/562930112.db2.gz	UHYFCDBUKBJSFA-JYFLSIMMSA-N	1	0	499.516	1.547	10	10	in-vitro	JDCERO
COc1cc2c3c(n(CCC[NH2+]CCO)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2	ZINC000001656709	562922792	/nfs/dbraw/zinc/92/27/92/562922792.db2.gz	QCSDJDQOJBQTDV-UHFFFAOYSA-N	1	0	452.463	1.931	10	10		JDCERO