smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCC(N2CCC(NC(=O)NCCCC[NH+]3CCCC3)CC2)CC1	ZINC000051760751	523066315	/nfs/dbraw/zinc/06/63/15/523066315.db2.gz	KAXJYMJFOCSYID-UHFFFAOYSA-N	2	3	365.566	1.720	10	0		FDAEHP
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1	ZINC000093791269	172320762	/nfs/dbraw/zinc/32/07/62/172320762.db2.gz	RYNYPZMKFDXDHH-SJLPKXTDSA-N	2	3	351.539	1.327	10	0		FDAEHP
NC(CC(=O)NCCCCCCC[NH3+])CC(=O)NCCCCCCC[NH3+]	ZINC000225827398	537562061	/nfs/dbraw/zinc/56/20/61/537562061.db2.gz	KMVRXEHCGSMJJA-UHFFFAOYSA-N	2	3	371.570	1.145	10	0		FDAEHP
C[NH+](C)[C@H]1CC[C@@H](NC(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1	ZINC000093791267	172321133	/nfs/dbraw/zinc/32/11/33/172321133.db2.gz	RYNYPZMKFDXDHH-AEFFLSMTSA-N	2	3	351.539	1.327	10	0		FDAEHP
NCCC[NH2+]CCCC[NH2+]CCCNC(=O)CCc1ccc(O)cc1	ZINC000013816321	220096947	/nfs/dbraw/zinc/09/69/47/220096947.db2.gz	XNOLTRVSCPMWHF-UHFFFAOYSA-N	2	3	350.507	1.139	10	0		FDAEHP