smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccc(/N=C/c2ccc([O-])c(I)c2)cc1Cl	ZINC000408962845	560658574	/nfs/dbraw/zinc/65/85/74/560658574.db2.gz	KCMLDVDOVUYUTQ-REZTVBANSA-N	-2	1	401.587	4.099	40	30		HIEBML
O=[N+]([O-])c1cc(C=Nc2ccc3nc(-c4ccccc4)[nH]c3c2)c([O-])c([N+](=O)[O-])c1[O-]	ZINC000003112940	568856351	/nfs/dbraw/zinc/85/63/51/568856351.db2.gz	CMEXZRLGVVYVFJ-UFFVCSGVSA-N	-2	1	419.353	4.208	40	30		HIEBML
Cc1ccc(O)c(/N=C/c2cc(Br)c([O-])c(Br)c2[O-])c1	ZINC000101539414	568936303	/nfs/dbraw/zinc/93/63/03/568936303.db2.gz	WEBQEWFPRUSVHW-UBKPWBPPSA-N	-2	1	401.054	4.387	40	30		HIEBML
Oc1ccc(/N=C/c2cc(Br)cc(I)c2O)cc1	ZINC000113862382	560805657	/nfs/dbraw/zinc/80/56/57/560805657.db2.gz	ARDUYFVXWLUBQV-FRKPEAEDSA-N	-2	1	418.028	4.216	40	30		HIEBML
C/C(=N\c1c([O-])cc(S(=O)(=O)[O-])c2ccccc21)c1cc2ccccc2oc1=O	ZINC000016137277	558773449	/nfs/dbraw/zinc/77/34/49/558773449.db2.gz	HQMQZGQNJPPDTM-WSDLNYQXSA-N	-2	1	409.419	4.039	40	30		HIEBML
O=C([O-])c1ccc(Cl)c(/N=C/c2ccc([O-])c(I)c2)c1	ZINC000408962873	560658542	/nfs/dbraw/zinc/65/85/42/560658542.db2.gz	KTIJQUXAXSWPBN-REZTVBANSA-N	-2	1	401.587	4.099	40	30		HIEBML