smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@]1(O)c2cc3n(c(=O)c2COC1=O)Cc1cc2c(ccc(O)c2C[NH2+]CCO)nc1-3	ZINC000003794497	562938148	/nfs/dbraw/zinc/93/81/48/562938148.db2.gz	SIISVVVSYVDPHW-QHCPKHFHSA-N	1	0	437.452	0.867	1	10		ICCFRO
O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCOCCO)ccc(NCC[NH2+]CCO)c21	ZINC000045288378	563128603	/nfs/dbraw/zinc/12/86/03/563128603.db2.gz	KDHWUMSDAGMCTR-UHFFFAOYSA-N	1	0	445.472	0.288	1	10		ICCFRO
CCCn1c(=O)c2c(ncn2CC[N@H+](CC)CCO)n(CCc2ccc(N)cc2)c1=O	ZINC000045338249	563131693	/nfs/dbraw/zinc/13/16/93/563131693.db2.gz	VNYUXHOJOYUEEJ-UHFFFAOYSA-N	1	0	428.537	0.909	1	10		ICCFRO