smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc[nH+]c(N[C@@H](c2ccncc2)c2cc(Cl)c3cccnc3c2O)c1	ZINC000045944566	209196320	/nfs/dbraw/zinc/19/63/20/209196320.db2.gz	OKFNGUUHEGVVEI-IBGZPJMESA-N	1	1	376.847	4.894	10	10		GJCEMO
COc1ccc(N2CC[NH+](CC3=Cc4c(Cl)ccc(OC)c4CC3)CC2)cc1	ZINC000169324774	536696073	/nfs/dbraw/zinc/69/60/73/536696073.db2.gz	DANQXUIFCINLPU-UHFFFAOYSA-N	1	1	398.934	4.509	10	10		GJCEMO
C[N+](C)(C)CCNCCc1ccc(/N=N/c2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000034303671	717124304	/nfs/dbraw/zinc/12/43/04/717124304.db2.gz	AKIYYDSXDIXEOB-GHVJWSGMSA-N	1	1	390.895	4.502	10	10		GJCEMO
[O-]c1cccc([C@H](Nc2ccccn2)c2ccc3cccnc3c2O)c1Cl	ZINC000002502842	209368134	/nfs/dbraw/zinc/36/81/34/209368134.db2.gz	KITWISGNBVVYDE-FQEVSTJZSA-N	1	1	377.831	4.896	10	10	aggregator	GJCEMO
Cc1cc[nH+]c(N[C@H](c2ccc3c(c2)OCO3)c2ccc3ccc(C)nc3c2O)c1	ZINC000005659860	570450396	/nfs/dbraw/zinc/45/03/96/570450396.db2.gz	YPTYIEZTGVNUFI-JOCHJYFZSA-N	1	1	399.450	4.882	10	10		GJCEMO
Cc1cc[nH+]c(N[C@@H](c2ccc3c(c2)OCO3)c2ccc3ccc(C)nc3c2O)c1	ZINC000005659857	204144608	/nfs/dbraw/zinc/14/46/08/204144608.db2.gz	YPTYIEZTGVNUFI-QFIPXVFZSA-N	1	1	399.450	4.882	10	10		GJCEMO