smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@]1(C(=O)[O-])[NH2+][C@@H](c2ccccc2[O-])[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]21	ZINC000020109855	558335325	/nfs/dbraw/zinc/33/53/25/558335325.db2.gz	HSXYIUUNZBZRFB-QOIOWGMHSA-N	-1	3	411.370	1.594	10	10		HDCEHM
C[C@@]1(C(=O)[O-])[NH2+][C@@H](c2ccccc2[O-])[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]21	ZINC000020109854	558335339	/nfs/dbraw/zinc/33/53/39/558335339.db2.gz	HSXYIUUNZBZRFB-KSVNGYGVSA-N	-1	3	411.370	1.594	10	10		HDCEHM
CC[C@@]1(O)C[C@H](O)c2c(O)c3c(cc2[C@H]1C(=O)OC)C(=O)c1cccc([O-])c1C3=O	ZINC000004654750	560199092	/nfs/dbraw/zinc/19/90/92/560199092.db2.gz	RACGRCLGVYXIAO-YOKWENHESA-N	-1	3	412.394	1.708	10	10	in-vitro	HDCEHM
C[C@]1(C(=O)[O-])[NH2+][C@@H](c2ccccc2[O-])[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]21	ZINC000004546995	557565623	/nfs/dbraw/zinc/56/56/23/557565623.db2.gz	HSXYIUUNZBZRFB-ULMVMLMRSA-N	-1	3	411.370	1.594	10	10		HDCEHM
C[C@@]1(C(=O)[O-])[NH2+][C@@H](c2ccccc2[O-])[C@H]2C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]21	ZINC000004546993	557565644	/nfs/dbraw/zinc/56/56/44/557565644.db2.gz	HSXYIUUNZBZRFB-ZKNHNOBHSA-N	-1	3	411.370	1.594	10	10		HDCEHM