smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1[nH]c2cc(Cl)cc(Cl)c2c1/C=C/C(=O)Nc1cccc([N+](=O)[O-])c1[O-]	ZINC000013761290	563005146	/nfs/dbraw/zinc/00/51/46/563005146.db2.gz	NQFVPOFMUFVABT-SNAWJCMRSA-N	-2	0	436.207	4.439	1	5		IIBFRL
CC1(C)C[C@@]2(CC(C)(C)c3cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c32)c2cc([O-])c([N+](=O)[O-])cc21	ZINC000036176395	563091474	/nfs/dbraw/zinc/09/14/74/563091474.db2.gz	AEPFEKCKSRFWJD-OAQYLSRUSA-N	-2	0	443.412	4.471	1	5		IIBFRL
CCCc1c2nc(C(=O)[O-])cc(C(F)(F)C(F)(F)F)c2cc2c(=O)cc(C(=O)[O-])oc21	ZINC000029228486	563076913	/nfs/dbraw/zinc/07/69/13/563076913.db2.gz	NPQJHBJGHFAPRR-UHFFFAOYSA-N	-2	0	445.296	4.344	1	5		IIBFRL
Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)c(Oc2ccc(C(=O)[O-])c(C(=O)[O-])c2)c1	ZINC000013580658	562994473	/nfs/dbraw/zinc/99/44/73/562994473.db2.gz	AJYMAGBHSPVRBG-UHFFFAOYSA-N	-2	0	436.376	4.344	1	5		IIBFRL
O=C([O-])c1ccc(Oc2ccc(F)cc2NC(=O)c2cccc([N+](=O)[O-])c2)cc1C(=O)[O-]	ZINC000013580648	562994462	/nfs/dbraw/zinc/99/44/62/562994462.db2.gz	SXQSXGKQUDBDKG-UHFFFAOYSA-N	-2	0	440.339	4.175	1	5		IIBFRL
Cc1ccc(Oc2ccc(C(=O)[O-])c(C(=O)[O-])c2)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000013580646	562994475	/nfs/dbraw/zinc/99/44/75/562994475.db2.gz	JSWGGLZASDOWGM-UHFFFAOYSA-N	-2	0	436.376	4.344	1	5		IIBFRL
O=C([O-])c1ccc(Oc2cccc(F)c2NC(=O)c2cccc([N+](=O)[O-])c2)cc1C(=O)[O-]	ZINC000013587608	562995802	/nfs/dbraw/zinc/99/58/02/562995802.db2.gz	XKPFJBJRMRYLPA-UHFFFAOYSA-N	-2	0	440.339	4.175	1	5		IIBFRL
CC1(C)C[C@]2(CC(C)(C)c3cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c32)c2cc([O-])c([N+](=O)[O-])cc21	ZINC000036176397	563091518	/nfs/dbraw/zinc/09/15/18/563091518.db2.gz	AEPFEKCKSRFWJD-NRFANRHFSA-N	-2	0	443.412	4.471	1	5		IIBFRL