smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(-n2[n-]c(C(=O)[O-])cc2=O)cc([NH3+])cc1S(=O)(=O)[O-]	ZINC000033605826	395717834	/nfs/dbraw/zinc/71/78/34/395717834.db2.gz	IRJVHHLEYCHGJH-UHFFFAOYSA-N	-2	0	313.291	0.001	10	10		DCCERL
O=C([O-])CC[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)[O-]	ZINC000090694029	185309957	/nfs/dbraw/zinc/30/99/57/185309957.db2.gz	PRCRWIWEDONYKC-ANTNXHBISA-N	-2	0	309.274	0.545	10	10		DCCERL
O=C([O-])CC[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)[O-]	ZINC000098088196	193784671	/nfs/dbraw/zinc/78/46/71/193784671.db2.gz	PRCRWIWEDONYKC-JHYPKJRRSA-N	-2	0	309.274	0.545	10	10		DCCERL
Cc1ccc(N2C(=O)[N-]C(=O)C(=CNCC(=O)[O-])C2=O)cc1C	ZINC000019871545	524925180	/nfs/dbraw/zinc/92/51/80/524925180.db2.gz	DOCGLNJVWNNWSM-WDZFZDKYSA-N	-2	0	317.301	0.444	10	10		DCCERL
O=C([O-])CC[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)[O-]	ZINC000015261183	395689915	/nfs/dbraw/zinc/68/99/15/395689915.db2.gz	PRCRWIWEDONYKC-OSOUNJMWSA-N	-2	0	309.274	0.545	10	10		DCCERL