smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2c(c1)S[C@H](c1ccc(F)cc1F)CCN2Cc1cnc(C)[nH]1	ZINC000011789296	558276904	/nfs/dbraw/zinc/27/69/04/558276904.db2.gz	XCWBYZNDYRHGAZ-FQEVSTJZSA-N	0	1	401.482	5.249	10	10		HKCEMN
COc1ccc2c(c1)S[C@@H](c1ccc(F)cc1F)CCN2Cc1cnc(C)[nH]1	ZINC000011789297	558276947	/nfs/dbraw/zinc/27/69/47/558276947.db2.gz	XCWBYZNDYRHGAZ-HXUWFJFHSA-N	0	1	401.482	5.249	10	10		HKCEMN
[O-]c1ccc(-c2nc3ccccc3s2)cc1C[NH+]1CCN(c2ccc(F)cc2)CC1	ZINC000015001789	568729413	/nfs/dbraw/zinc/72/94/13/568729413.db2.gz	JUEYBBGFYRJQSJ-UHFFFAOYSA-N	0	1	419.525	5.130	10	10		HKCEMN
O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc(/N=N/c3ccccc3)cc2)c2nonc21	ZINC000020508934	558381722	/nfs/dbraw/zinc/38/17/22/558381722.db2.gz	SLKPKBPBHGAQRT-QZQOTICOSA-N	0	1	405.330	5.198	10	10		HKCEMN