smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1nc(SC(=Cc2ccc(N(CC)CC)cc2)C(=O)[O-])n[n-]1	ZINC000213396784	456023728	/nfs/dbraw/zinc/02/37/28/456023728.db2.gz	WPBUHHJWXBMHAP-KAMYIIQDSA-N	-2	3	346.456	3.431	40	10		EGCBHL
COc1ccc(S(=O)(=O)[N-]c2ccc([O-])c3ccccc23)cc1	ZINC000000437394	452593016	/nfs/dbraw/zinc/59/30/16/452593016.db2.gz	BUESECBBBYRGKQ-UHFFFAOYSA-N	-2	3	329.377	3.355	40	10	aggregator	EGCBHL
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc([O-])c(Cl)c1	ZINC000038185360	453939798	/nfs/dbraw/zinc/93/97/98/453939798.db2.gz	UFRNNWPWJPLCDG-IZZDOVSWSA-N	-2	3	346.726	3.141	40	10		EGCBHL
CCCc1nc(SC(=Cc2ccc(N(C)C)cc2)C(=O)[O-])n[n-]1	ZINC000007342261	453061919	/nfs/dbraw/zinc/06/19/19/453061919.db2.gz	KTYURWUPTAHMLW-RAXLEYEMSA-N	-2	3	332.429	3.041	40	10		EGCBHL
O=C([O-])c1ccccc1NC1=NC(=O)C(=Cc2ccc([O-])cc2)S1	ZINC000005372508	452863676	/nfs/dbraw/zinc/86/36/76/452863676.db2.gz	NNBPSFHADSQEAR-ZROIWOOFSA-N	-2	3	340.360	3.173	40	10		EGCBHL
CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1ccccc1Cl	ZINC000390834439	457446324	/nfs/dbraw/zinc/44/63/24/457446324.db2.gz	YVTOETCZKZVYFK-UHFFFAOYSA-N	-2	3	325.773	3.049	40	10		EGCBHL
O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Cl)ccc1[O-]	ZINC000000438918	452593274	/nfs/dbraw/zinc/59/32/74/452593274.db2.gz	VEVOKWHOABPPCT-NTUHNPAUSA-N	-2	3	349.173	3.160	40	10		EGCBHL
CCc1nc(SC(=Cc2ccc(N3CCCC3)cc2)C(=O)[O-])n[n-]1	ZINC000007342618	453061544	/nfs/dbraw/zinc/06/15/44/453061544.db2.gz	DMFYDMRBYHGLBH-SDNWHVSQSA-N	-2	3	344.440	3.185	40	10		EGCBHL