smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc2[nH]cc(C/C(=N/OS(=O)(=O)[O-])S[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c21	ZINC000004097579	560194765	/nfs/dbraw/zinc/19/47/65/560194765.db2.gz	IIAGSABLXRZUSE-KYKLFQSUSA-N	-1	0	478.501	-0.615	10	30	in-vitro	JBEERM
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C([C@@H]3CCCO3)CS[C@H]12)c1csc(N)n1	ZINC000004654838	522737475	/nfs/dbraw/zinc/73/74/75/522737475.db2.gz	ZJGQFXVQDVCVOK-QFKLAVHZSA-N	-1	0	453.502	-0.007	10	30	in-man	JBEERM
C=C1c2cccc(O)c2C(=O)[C@]2(Cl)C(=O)[C@]3(O)C([O-])=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12	ZINC000033989921	569639462	/nfs/dbraw/zinc/63/94/62/569639462.db2.gz	NXGHTAFSIJUEPD-QXWMMVLTSA-N	-1	0	476.869	-0.703	10	30		JBEERM
C=C1[C@@H](O)C[C@@H]2C(C(=O)[O-])=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3OC(=O)c3ccc(O)cc3)[C@H]12	ZINC000049872407	563204489	/nfs/dbraw/zinc/20/44/89/563204489.db2.gz	KBTSKABIWIUJAS-JJOYARITSA-N	-1	0	494.449	-0.749	10	30	biogenic	JBEERM
CON=C(C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@@H]12)c1csc(N)n1	ZINC000252606119	570085500	/nfs/dbraw/zinc/08/55/00/570085500.db2.gz	GPRBEKHLDVQUJE-HZMBPMFUSA-N	-1	0	455.474	-0.623	10	30	investigational	JBEERM
CON=C(C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@H]12)c1csc(N)n1	ZINC000252606121	570085592	/nfs/dbraw/zinc/08/55/92/570085592.db2.gz	GPRBEKHLDVQUJE-IINYFYTJSA-N	-1	0	455.474	-0.623	10	30	investigational	JBEERM
CON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(C)=O)CS[C@@H]12)c1csc(N)n1	ZINC000252606123	570085584	/nfs/dbraw/zinc/08/55/84/570085584.db2.gz	GPRBEKHLDVQUJE-YGRLFVJLSA-N	-1	0	455.474	-0.623	10	30	investigational	JBEERM