smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1c(Br)cc(C=NN=c2nc(N3CCOCC3)[nH]c(N3CCOCC3)n2)c([O-])c1Br	ZINC000008872057	553172212	/nfs/dbraw/zinc/17/22/12/553172212.db2.gz	ABBKTIUGXAVZBT-UFFVCSGVSA-N	-2	3	559.219	1.927	50	30		KDEAHL
Cc1cc(/C(c2ccccc2S(=O)(=O)[O-])=C2/C=C(C)C(=O)C(CN(CC(=O)[O-])CC(=O)[O-])=C2)cc(CN(CC(=O)[O-])CC(=O)[O-])c1[O-]	ZINC000150342923	571458803	/nfs/dbraw/zinc/45/88/03/571458803.db2.gz	SESORLVFYDXIDP-ZTKZIYFRSA-N	-6	3	672.665	1.647	50	30		KDEAHL
Cc1nc(N=C2C=CC([S+](=O)([O-])CCO)C=C2)nc(N=C2C=CC(S(=O)(=O)CCO)=CC2)c1[N+](=O)[O-]	ZINC000334158310	572153094	/nfs/dbraw/zinc/15/30/94/572153094.db2.gz	FXJHUMXSLGDKGV-UHFFFAOYSA-O	-2	3	538.584	1.277	50	30		KDEAHL
Cc1nc(N=C2C=CC([S+](=O)([O-])CCO)C=C2)c([N+](=O)[O-])c(N=C2C=CC(S(=O)(=O)CCO)=CC2)n1	ZINC000334158503	572153462	/nfs/dbraw/zinc/15/34/62/572153462.db2.gz	RVJCXTQQOSCKHG-UHFFFAOYSA-O	-2	3	538.584	1.277	50	30		KDEAHL