smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(OC[C@H](O)C[NH+]3CCC(C(N)=O)CC3)cc2)CC1	ZINC000008834682	554732880	/nfs/dbraw/zinc/73/28/80/554732880.db2.gz	DASWFEKFOJEUKP-WOJBJXKFSA-N	2	0	478.590	-0.439	50	0		JBAARP
NC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(OC[C@@H](O)C[NH+]3CCC(C(N)=O)CC3)cc2)CC1	ZINC000008834683	554732840	/nfs/dbraw/zinc/73/28/40/554732840.db2.gz	DASWFEKFOJEUKP-BGYRXZFFSA-N	2	0	478.590	-0.439	50	0		JBAARP
NC(=O)C1CC[NH+](C[C@H](O)COc2ccc(OC[C@@H](O)C[NH+]3CCC(C(N)=O)CC3)cc2)CC1	ZINC000008834685	554732902	/nfs/dbraw/zinc/73/29/02/554732902.db2.gz	DASWFEKFOJEUKP-PMACEKPBSA-N	2	0	478.590	-0.439	50	0		JBAARP
C(COCC[NH+]1CCOCCOCCOCC1)OCC[NH+]1CCOCCOCCOCC1	ZINC000013617836	555537255	/nfs/dbraw/zinc/53/72/55/555537255.db2.gz	SOTBJRWYRFPRLZ-UHFFFAOYSA-N	2	0	464.600	-0.250	50	0		JBAARP
COc1ccc(OC)c(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CCN2CC[NH+](C)CC2)c1	ZINC000022938560	555991828	/nfs/dbraw/zinc/99/18/28/555991828.db2.gz	QJJIPRKBEHKHTH-UHFFFAOYSA-N	2	0	483.635	-0.236	50	0		JBAARP
COc1ccc(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CCN2CC[NH+](C)CC2)cc1	ZINC000045945345	525012795	/nfs/dbraw/zinc/01/27/95/525012795.db2.gz	XHYQALXXPOVTSQ-UHFFFAOYSA-N	2	0	453.609	-0.245	50	0		JBAARP