smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)OC[C@@H]1O[C@@H](OC(C)=O)[C@H]([NH2+][C@@H]2CC[C@@H]([N+](=O)[O-])C[C@@H]2[N+](=O)[O-])[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000025665130	553812503	/nfs/dbraw/zinc/81/25/03/553812503.db2.gz	UCPFDBPCKOQFIK-XYEKPRFQSA-N	1	2	519.460	-0.498	50	5		KBBALO
CC(=O)OC[C@@H]1O[C@@H](OC(C)=O)[C@H]([NH2+][C@@H]2CC[C@H]([N+](=O)[O-])C[C@@H]2[N+](=O)[O-])[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000037246041	554231049	/nfs/dbraw/zinc/23/10/49/554231049.db2.gz	UCPFDBPCKOQFIK-BKMJFVCUSA-N	1	2	519.460	-0.498	50	5		KBBALO
CC(=O)OC[C@@H]1O[C@@H](OC(C)=O)[C@H]([NH2+][C@@H]2CC[C@H]([N+](=O)[O-])C[C@H]2[N+](=O)[O-])[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000253493433	572291542	/nfs/dbraw/zinc/29/15/42/572291542.db2.gz	UCPFDBPCKOQFIK-FVFMATGLSA-N	1	2	519.460	-0.498	50	5		KBBALO
CC(=O)OC[C@@H]1O[C@@H](OC(C)=O)[C@H]([NH2+][C@@H]2CC[C@@H]([N+](=O)[O-])C[C@H]2[N+](=O)[O-])[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000253493434	572291572	/nfs/dbraw/zinc/29/15/72/572291572.db2.gz	UCPFDBPCKOQFIK-YCZCMDOPSA-N	1	2	519.460	-0.498	50	5		KBBALO