smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004556582	1066439435	/nfs/dbraw/zinc/43/94/35/1066439435.db2.gz	GPVLFJQPHXESFM-IMNFJDCFSA-N	2	0	526.638	2.248	50	5		KEBARP
O=[N+]([O-])c1ccc(OC[C@@H](O)C[NH2+]CCCCCC[NH2+]C[C@H](O)COc2ccc([N+](=O)[O-])cc2)cc1	ZINC000012374658	553360847	/nfs/dbraw/zinc/36/08/47/553360847.db2.gz	AEVFLAOTVOCDSK-VXKWHMMOSA-N	2	0	506.556	2.422	50	5		KEBARP
O=[N+]([O-])c1ccc(OC[C@H](O)C[NH2+]CCCCCC[NH2+]C[C@@H](O)COc2ccc([N+](=O)[O-])cc2)cc1	ZINC000012374659	553360883	/nfs/dbraw/zinc/36/08/83/553360883.db2.gz	AEVFLAOTVOCDSK-FGZHOGPDSA-N	2	0	506.556	2.422	50	5		KEBARP
O=[N+]([O-])c1ccc(OC[C@H](O)C[NH2+]CCCCCC[NH2+]C[C@H](O)COc2ccc([N+](=O)[O-])cc2)cc1	ZINC000012374660	553360879	/nfs/dbraw/zinc/36/08/79/553360879.db2.gz	AEVFLAOTVOCDSK-SZPZYZBQSA-N	2	0	506.556	2.422	50	5		KEBARP
O=C(NCCCN1CCOCC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12	ZINC000169678412	571555587	/nfs/dbraw/zinc/55/55/87/571555587.db2.gz	DFYLXPJHAKSFCY-RSXGOPAZSA-N	2	0	511.598	2.436	50	5		KEBARP