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@H](CCn1cc[nH+]c1)Oc1ccc([N+](=O)[O-])cc1	ZINC000045392919	175375699	/nfs/dbraw/zinc/37/56/99/175375699.db2.gz	QKRGYNNCLHGLKK-LLVKDONJSA-N	1	2	261.281	2.649	1	5		CFBFLO
C[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1	ZINC000045356661	175361928	/nfs/dbraw/zinc/36/19/28/175361928.db2.gz	LTLFRBMKBHQUTH-NSHDSACASA-N	1	2	262.309	2.652	1	5	in-vivo	CFBFLO
C[C@@H](CCn1cc[nH+]c1)Oc1ccc([N+](=O)[O-])cc1F	ZINC000045386258	175372146	/nfs/dbraw/zinc/37/21/46/175372146.db2.gz	UQRJWGWYNGKHSY-JTQLQIEISA-N	1	2	279.271	2.788	1	5		CFBFLO
Nc1ccc(Cn2cc[nH+]c2)c2c(=O)c3ccccc3oc12	ZINC000095587074	185012240	/nfs/dbraw/zinc/01/22/40/185012240.db2.gz	MACHXOVCFVAJRE-UHFFFAOYSA-N	1	2	291.310	2.773	1	5		CFBFLO
C[C@H](CCn1cc[nH+]c1)Oc1ccccc1[N+](=O)[O-]	ZINC000045348942	175361471	/nfs/dbraw/zinc/36/14/71/175361471.db2.gz	OJZRGBAMKHBBQP-LLVKDONJSA-N	1	2	261.281	2.649	1	5		CFBFLO
C[C@@H](CCn1cc[nH+]c1)Oc1ccccc1[N+](=O)[O-]	ZINC000045348939	175361579	/nfs/dbraw/zinc/36/15/79/175361579.db2.gz	OJZRGBAMKHBBQP-NSHDSACASA-N	1	2	261.281	2.649	1	5		CFBFLO
C[C@@H](CCn1cc[nH+]c1)Oc1ccc([N+](=O)[O-])cc1	ZINC000045392915	175375817	/nfs/dbraw/zinc/37/58/17/175375817.db2.gz	QKRGYNNCLHGLKK-NSHDSACASA-N	1	2	261.281	2.649	1	5		CFBFLO
C[C@H](C(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1	ZINC000045356664	175362021	/nfs/dbraw/zinc/36/20/21/175362021.db2.gz	LTLFRBMKBHQUTH-LLVKDONJSA-N	1	2	262.309	2.652	1	5	in-vivo	CFBFLO
C[C@H](CCn1cc[nH+]c1)Oc1ccc([N+](=O)[O-])cc1F	ZINC000045386262	175371963	/nfs/dbraw/zinc/37/19/63/175371963.db2.gz	UQRJWGWYNGKHSY-SNVBAGLBSA-N	1	2	279.271	2.788	1	5		CFBFLO
O=c1c2ccccc2oc2c(O)ccc(Cn3cc[nH+]c3)c12	ZINC000095589185	185013513	/nfs/dbraw/zinc/01/35/13/185013513.db2.gz	PHSPPOUTJWWXDM-UHFFFAOYSA-N	1	2	292.294	2.897	1	5		CFBFLO