smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CC[N@@H+](CCO)CCn1ccc([N+](=O)[O-])n1	ZINC000342409775	135272839	/nfs/dbraw/zinc/27/28/39/135272839.db2.gz	CAVQJSPSZNAMFJ-UHFFFAOYSA-N	2	2	243.267	-0.956	20	5		BBBDLP
[NH3+]CC[N@H+](CCO)CCn1ccc([N+](=O)[O-])n1	ZINC000342409775	135272838	/nfs/dbraw/zinc/27/28/38/135272838.db2.gz	CAVQJSPSZNAMFJ-UHFFFAOYSA-N	2	2	243.267	-0.956	20	5		BBBDLP
C[N@@H+](CC[NH3+])CCn1cc([N+](=O)[O-])cn1	ZINC000522060197	398307517	/nfs/dbraw/zinc/30/75/17/398307517.db2.gz	GTGJSLJILQEFAE-UHFFFAOYSA-N	2	2	213.241	-0.318	20	5		BBBDLP
C[N@H+](CC[NH3+])CCn1cc([N+](=O)[O-])cn1	ZINC000522060197	398307515	/nfs/dbraw/zinc/30/75/15/398307515.db2.gz	GTGJSLJILQEFAE-UHFFFAOYSA-N	2	2	213.241	-0.318	20	5		BBBDLP
Cn1cc[nH+]c1N1CC[NH+](CC[N+](=O)[O-])CC1	ZINC000791053202	585973180	/nfs/dbraw/zinc/97/31/80/585973180.db2.gz	BNMFBGMVUAATSF-UHFFFAOYSA-N	2	2	239.279	-0.181	20	5		BBBDLP
C[N@@H+](CCCN1CC[NH+](C)CC1)CC[N+](=O)[O-]	ZINC000791055262	585973038	/nfs/dbraw/zinc/97/30/38/585973038.db2.gz	REKGQSYQSHSWSG-UHFFFAOYSA-N	2	2	244.339	-0.168	20	5		BBBDLP
C[N@H+](CCCN1CC[NH+](C)CC1)CC[N+](=O)[O-]	ZINC000791055262	585973037	/nfs/dbraw/zinc/97/30/37/585973037.db2.gz	REKGQSYQSHSWSG-UHFFFAOYSA-N	2	2	244.339	-0.168	20	5		BBBDLP
COCC[N@@H+](C)CCC[NH2+]CC[N+](=O)[O-]	ZINC000905035648	637556443	/nfs/dbraw/zinc/55/64/43/637556443.db2.gz	OHYKQKRWVAKTBO-UHFFFAOYSA-N	2	2	219.285	-0.179	20	5		BBBDLP
COCC[N@H+](C)CCC[NH2+]CC[N+](=O)[O-]	ZINC000905035648	637556436	/nfs/dbraw/zinc/55/64/36/637556436.db2.gz	OHYKQKRWVAKTBO-UHFFFAOYSA-N	2	2	219.285	-0.179	20	5		BBBDLP
COCC[NH+]1CCC([NH2+]CC[N+](=O)[O-])CC1	ZINC000905061895	637596520	/nfs/dbraw/zinc/59/65/20/637596520.db2.gz	UDQVWRLUKIOEJC-UHFFFAOYSA-N	2	2	231.296	-0.037	20	5		BBBDLP
O=[N+]([O-])CC[NH2+]CCC[NH+]1CCC(O)CC1	ZINC000905340239	637782962	/nfs/dbraw/zinc/78/29/62/637782962.db2.gz	GYSGGBAAUXSGON-UHFFFAOYSA-N	2	2	231.296	-0.301	20	5		BBBDLP