smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H](C)C(=O)C1=C([O-])C(CC=C(C)C)(CC=C(C)C)C([O-])=C(CC=C(C)C)C1=O	ZINC000009133221	560211060	/nfs/dbraw/zinc/21/10/60/560211060.db2.gz	LHSBPFRFCDCGIN-IBGZPJMESA-N	-2	0	414.586	6.864	10	30	in-vitro	HKEERL
C=CC(C)(C)c1c(OC)cc(=O)c2c([O-])c3c(cc([O-])c(O)c3CC=C(C)C)oc1-2	ZINC000013411981	291283063	/nfs/dbraw/zinc/28/30/63/291283063.db2.gz	UIIGEZZURHDEDK-UHFFFAOYSA-N	-2	0	410.466	5.044	10	30	biogenic,in-vivo	HKEERL
CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000028538002	519992131	/nfs/dbraw/zinc/99/21/31/519992131.db2.gz	ATFFFUXLAJBBDE-FQEVSTJZSA-N	-2	0	413.599	5.682	10	30		HKEERL
N#CC(N=Nc1cc(Cl)cc(Cl)c1[O-])=N[N-]c1cc(Cl)cc(Cl)c1[O-]	ZINC000096341894	559110056	/nfs/dbraw/zinc/11/00/56/559110056.db2.gz	JIVDOFLPGFPRRU-OXYYMIMUSA-N	-3	0	419.055	5.744	10	30		HKEERL