smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CO[C@H]1O[C@@H](C[NH3+])[C@@H](OS(C)(=O)=O)[C@@H](OC)[C@H]1NC(=O)c1ccccc1	ZINC000039945485	570452704	/nfs/dbraw/zinc/45/27/04/570452704.db2.gz	DFDNDTSGSUBKDG-ADVQIIOHSA-N	1	0	388.442	-0.525	40	30		GBEBRO
CO[C@@H]1[C@@H](NC(=O)c2ccccc2)[C@@H](OC)O[C@@H](C[NH3+])[C@H]1OS(C)(=O)=O	ZINC000039945486	570452841	/nfs/dbraw/zinc/45/28/41/570452841.db2.gz	DFDNDTSGSUBKDG-YTBGYOSVSA-N	1	0	388.442	-0.525	40	30		GBEBRO
CO[C@H]1O[C@H](C[NH3+])[C@@H](OS(C)(=O)=O)[C@@H](OC)[C@H]1NC(=O)c1ccccc1	ZINC000039945487	570452656	/nfs/dbraw/zinc/45/26/56/570452656.db2.gz	DFDNDTSGSUBKDG-FAHYXWLWSA-N	1	0	388.442	-0.525	40	30		GBEBRO
CO[C@@H]1[C@@H](NC(=O)c2ccccc2)[C@@H](OC)O[C@H](C[NH3+])[C@H]1OS(C)(=O)=O	ZINC000039945488	532980001	/nfs/dbraw/zinc/98/00/01/532980001.db2.gz	DFDNDTSGSUBKDG-PAURTPPISA-N	1	0	388.442	-0.525	40	30		GBEBRO
C[NH+]1CCN(C[C@@H]2OC[C@H](NS(=O)(=O)c3cccc(C#N)c3)[C@H]2O)CC1	ZINC000514289087	560033221	/nfs/dbraw/zinc/03/32/21/560033221.db2.gz	NRRVRYYNHBDNTA-YESZJQIVSA-N	1	0	380.470	-0.788	40	30	biogenic,in-vitro	GBEBRO