smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH2+]=C(Nc1ncccc1[N+](=O)[O-])N1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000253574446	436847529	/nfs/dbraw/zinc/84/75/29/436847529.db2.gz	SQARLIRLJMPNCG-GFCCVEGCSA-N	1	1	348.363	0.660	40	5		ECBBMO
CC[NH+]1CCN(C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000035264056	213016992	/nfs/dbraw/zinc/01/69/92/213016992.db2.gz	MLWJNHKPZBMHCY-GFCCVEGCSA-N	1	1	334.376	0.877	40	5		ECBBMO
CC[NH+]1CCN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)c(=O)n3C)CC1	ZINC000010012419	436038638	/nfs/dbraw/zinc/03/86/38/436038638.db2.gz	BLHUGBRSBAVNSM-UHFFFAOYSA-N	1	1	347.375	0.287	40	5		ECBBMO
CN1CCN(C(=O)c2ccc(N3CC[NH+](C)CC3)c([N+](=O)[O-])c2)CC1	ZINC000016189182	436086907	/nfs/dbraw/zinc/08/69/07/436086907.db2.gz	XYNVWARMMIIGKV-UHFFFAOYSA-N	1	1	347.419	0.734	40	5		ECBBMO
C[NH+]1CCN(C(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)CC1	ZINC000002781770	209911704	/nfs/dbraw/zinc/91/17/04/209911704.db2.gz	KGUFGHSPVFJBQB-UHFFFAOYSA-N	1	1	330.348	0.622	40	5		ECBBMO
COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)NN1CC[NH+](C)CC1	ZINC000004455691	286227575	/nfs/dbraw/zinc/22/75/75/286227575.db2.gz	FAYZAWDJZNVTJO-UHFFFAOYSA-N	1	1	337.380	0.562	40	5		ECBBMO
CC[NH+]1CCN(C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000035264057	213016708	/nfs/dbraw/zinc/01/67/08/213016708.db2.gz	MLWJNHKPZBMHCY-LBPRGKRZSA-N	1	1	334.376	0.877	40	5		ECBBMO
C[C@@]1(NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCS(=O)(=O)C1	ZINC000575421397	438748324	/nfs/dbraw/zinc/74/83/24/438748324.db2.gz	QEEQIUXGXHYELU-CQSZACIVSA-N	1	1	327.406	0.851	40	5		ECBBMO
[NH2+]=C(Nc1ncccc1[N+](=O)[O-])N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000225244636	436709566	/nfs/dbraw/zinc/70/95/66/436709566.db2.gz	SQARLIRLJMPNCG-LBPRGKRZSA-N	1	1	348.363	0.660	40	5		ECBBMO
C[C@]1(NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCS(=O)(=O)C1	ZINC000575421396	438748718	/nfs/dbraw/zinc/74/87/18/438748718.db2.gz	QEEQIUXGXHYELU-AWEZNQCLSA-N	1	1	327.406	0.851	40	5		ECBBMO