smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)NC(=[NH2+])NC(=N)N1c1cccc(CCCCc2cc(Cl)ccc2S(=O)(=O)F)c1	ZINC000043860927	563171224	/nfs/dbraw/zinc/17/12/24/563171224.db2.gz	DMCJCOLNFQEFPH-UHFFFAOYSA-N	1	0	465.982	3.749	1	70		JHIFRO
O=C(/C=C/c1ccccc1)NCCCC[N@H+]1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1	ZINC000042784700	563162693	/nfs/dbraw/zinc/16/26/93/563162693.db2.gz	QZPFGFWFHKJBJX-DHZHZOJOSA-N	1	0	482.524	3.883	1	70		JHIFRO
COc1ccc(-c2cc3c(cc2[C@@H]2CC[N@H+](C)C[C@@H]2C)N2C(=NNC(=O)[C@H]2C)CO3)c(F)c1	ZINC000217651053	405416939	/nfs/dbraw/zinc/41/69/39/405416939.db2.gz	BYDKAYRDAFQMFD-ZMSDIMECSA-N	1	0	452.530	3.587	1	70		JHIFRO
O=C(/C=C\c1ccccc1)NCCCC[N@H+]1CCc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1	ZINC000042784684	563162732	/nfs/dbraw/zinc/16/27/32/563162732.db2.gz	QZPFGFWFHKJBJX-FLIBITNWSA-N	1	0	482.524	3.883	1	70		JHIFRO
CCC[N@@H+]1CCC[C@@H](c2ccc(OS(=O)(=O)C(F)(F)F)c(OS(=O)(=O)C(F)(F)F)c2)C1	ZINC000036216535	563124377	/nfs/dbraw/zinc/12/43/77/563124377.db2.gz	DDEDFIYGQWYHBZ-GFCCVEGCSA-N	1	0	499.451	3.733	1	70		JHIFRO