smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(/C(c2ccccc2S(=O)(=O)[O-])=C2\C=C(C)C(=O)C(C[NH2+]CC(=O)[O-])=C2)cc(C[NH2+]CC(=O)[O-])c1[O-]	ZINC000060272884	554504986	/nfs/dbraw/zinc/50/49/86/554504986.db2.gz	KRKXJTVSUGCCBR-BWAHOGKJSA-N	-2	3	556.593	2.053	40	30		KEEBHL
Cc1cc(/C(c2ccccc2S(=O)(=O)[O-])=C2/C=C(C)C(=O)C(CN(CC(=O)[O-])CC(=O)[O-])=C2C)c(C)c(CN(CC(=O)[O-])CC(=O)[O-])c1[O-]	ZINC000150345394	571459939	/nfs/dbraw/zinc/45/99/39/571459939.db2.gz	RCAAHHBPFMCSEF-SXBRIOAWSA-N	-6	3	700.719	2.346	40	30		KEEBHL
Cc1cc(/C(c2ccccc2S(=O)(=O)[O-])=C2\C=C(C)C(=O)C(CN(CC(=O)[O-])CC(=O)[O-])=C2C)c(C)c(CN(CC(=O)[O-])CC(=O)[O-])c1[O-]	ZINC000150345396	571459876	/nfs/dbraw/zinc/45/98/76/571459876.db2.gz	RCAAHHBPFMCSEF-UQRQXUALSA-N	-6	3	700.719	2.346	40	30		KEEBHL
C=CCN1C(=O)/C(=C/c2cc(I)cc(I)c2[O-])C(=O)[N-]C1=S	ZINC000408961870	1066211199	/nfs/dbraw/zinc/21/11/99/1066211199.db2.gz	OZBYKKHPVUTMIX-WEVVVXLNSA-N	-2	3	540.120	2.414	40	30		KEEBHL