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([C@@H]1CNCCO1)[n+]1ccc(CCCO)cc1	ZINC000034064817	171830555	/nfs/dbraw/zinc/83/05/55/171830555.db2.gz	RYAJFQLRZYFQPW-LBPRGKRZSA-N	1	1	251.306	-0.472	10	10		CBCEMO
CN(C)c1ccc(CNC(=O)[C@H]([NH3+])CC(N)=O)cc1	ZINC000040825923	656005735	/nfs/dbraw/zinc/00/57/35/656005735.db2.gz	NBKDPGWFFFXOTQ-LLVKDONJSA-N	1	1	264.329	-0.429	10	10		CBCEMO
CN(C)c1ccc(CN(C)C(=O)[C@@H]([NH3+])CC(N)=O)cc1	ZINC000037801182	656003880	/nfs/dbraw/zinc/00/38/80/656003880.db2.gz	LPAHOBXGURJJNO-LBPRGKRZSA-N	1	1	278.356	-0.086	10	10		CBCEMO
CN(C)c1ccc(CNC(=O)[C@@H]([NH3+])CC(N)=O)cc1	ZINC000040825925	656005338	/nfs/dbraw/zinc/00/53/38/656005338.db2.gz	NBKDPGWFFFXOTQ-NSHDSACASA-N	1	1	264.329	-0.429	10	10		CBCEMO
CN(C(=O)C[NH+](CCO)CCO)c1ccc(N)cc1	ZINC000040694769	174378197	/nfs/dbraw/zinc/37/81/97/174378197.db2.gz	CSXASEXGKFKBOB-UHFFFAOYSA-N	1	1	267.329	-0.482	10	10		CBCEMO
CN(C)c1ccc(CN(C)C(=O)[C@H]([NH3+])CC(N)=O)cc1	ZINC000037801181	656003694	/nfs/dbraw/zinc/00/36/94/656003694.db2.gz	LPAHOBXGURJJNO-GFCCVEGCSA-N	1	1	278.356	-0.086	10	10		CBCEMO
CN(CC(=O)N1CC[NH2+]CC1)Cc1ccc(O)cc1O	ZINC000038031079	174024485	/nfs/dbraw/zinc/02/44/85/174024485.db2.gz	VTOYKUFOXURQIG-UHFFFAOYSA-N	1	1	279.340	-0.039	10	10		CBCEMO
CN(Cc1ccccc1O)C(=O)[C@@H]([NH3+])CC(N)=O	ZINC000037823792	173778779	/nfs/dbraw/zinc/77/87/79/173778779.db2.gz	AQASOZLPLDQHEH-VIFPVBQESA-N	1	1	251.286	-0.447	10	10		CBCEMO