smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1n[n-]c(=NN=Cc2ccc(C(=O)[O-])cc2)nc1NN=Cc1ccc(C(=O)[O-])cc1	ZINC000027579552	526352771	/nfs/dbraw/zinc/35/27/71/526352771.db2.gz	WEBLGHPNKRKUAJ-OIEABDAFSA-N	-3	1	419.401	2.468	40	30		HEEBML
C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCC(=O)[O-])c(Cl)c2)C(=O)[N-]C1=S	ZINC000009260194	568986278	/nfs/dbraw/zinc/98/62/78/568986278.db2.gz	LCGBVHJRUUWXAQ-RUDMXATFSA-N	-2	1	415.254	2.270	40	30		HEEBML
Nc1nc(N)c(N=Nc2ccc(S(=O)(=O)[N-]C(=O)c3ccccc3)cc2)c(=O)[n-]1	ZINC000018042002	527553621	/nfs/dbraw/zinc/55/36/21/527553621.db2.gz	ICCJTKXQWZHRIO-GHVJWSGMSA-N	-2	1	413.419	2.043	40	30		HEEBML
O=S(=O)([O-])c1cc([O-])c2c(ccc(S(=O)(=O)[O-])c2/N=C/c2ccccc2O)c1	ZINC000001590427	557275013	/nfs/dbraw/zinc/27/50/13/557275013.db2.gz	HXWILWNIICRGQO-GIJQJNRQSA-N	-3	1	423.424	2.495	40	30		HEEBML