smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=O)c2c1c1c3ccccc3[nH]c1c1c2c2ccccc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000001539107	562920754	/nfs/dbraw/zinc/92/07/54/562920754.db2.gz	FAKJOUAYZNXZGV-QCUUGYDUSA-N	-1	3	487.468	1.285	1	5		JDBFHM
CO[C@H](CN(c1ccccc1CO)S(=O)(=O)c1ccccc1[N+](=O)[O-])n1cc(F)c(=O)[n-]c1=O	ZINC000029127950	563095967	/nfs/dbraw/zinc/09/59/67/563095967.db2.gz	VKVDYXVSLWEQHG-GOSISDBHSA-N	-1	3	494.457	1.117	1	5		JDBFHM
Cc1cc(C)cc(S(=O)(=O)c2c3cc([N+](=O)[O-])ccc3[n-]c2C(=O)N[C@@H](C)CS(N)(=O)=O)c1	ZINC000040938156	563158434	/nfs/dbraw/zinc/15/84/34/563158434.db2.gz	WSDDLOFMSFDUOC-ZDUSSCGKSA-N	-1	3	494.551	1.933	1	5		JDBFHM
O=c1[n-]c(=O)n([C@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])c3ccccc3CO2)cc1F	ZINC000029128560	563096341	/nfs/dbraw/zinc/09/63/41/563096341.db2.gz	NQFSDHDOVYGPGH-QGZVFWFLSA-N	-1	3	462.415	1.508	1	5		JDBFHM
CO[C@@H](CN(c1ccccc1CO)S(=O)(=O)c1ccc([N+](=O)[O-])cc1)n1cc(F)c(=O)[n-]c1=O	ZINC000029127947	563095924	/nfs/dbraw/zinc/09/59/24/563095924.db2.gz	VAWMRPAVVMSJNO-SFHVURJKSA-N	-1	3	494.457	1.117	1	5		JDBFHM
Cc1cc(C)cc(S(=O)(=O)c2c3cc([N+](=O)[O-])ccc3[n-]c2C(=O)NCCS(N)(=O)=O)c1	ZINC000040979408	563162381	/nfs/dbraw/zinc/16/23/81/563162381.db2.gz	UUEPOYYXFQQVJH-UHFFFAOYSA-N	-1	3	480.524	1.544	1	5		JDBFHM
O=c1[n-]cc(F)c(=O)n1[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2CO1	ZINC000029128453	563096208	/nfs/dbraw/zinc/09/62/08/563096208.db2.gz	XLEFWMVLYSIXPX-KRWDZBQOSA-N	-1	3	462.415	1.508	1	5		JDBFHM
O=c1[n-]c(=O)n([C@@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc3CO2)cc1F	ZINC000029128617	563096394	/nfs/dbraw/zinc/09/63/94/563096394.db2.gz	ONQINZBEWOXOKL-KRWDZBQOSA-N	-1	3	462.415	1.508	1	5		JDBFHM
O=c1[n-]c(=O)n([C@H]2CN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc3CO2)cc1F	ZINC000029128618	563096427	/nfs/dbraw/zinc/09/64/27/563096427.db2.gz	ONQINZBEWOXOKL-QGZVFWFLSA-N	-1	3	462.415	1.508	1	5		JDBFHM
Cc1cc(C)cc(S(=O)(=O)c2c3cc([N+](=O)[O-])ccc3[n-]c2C(=O)N[C@H](C)CS(N)(=O)=O)c1	ZINC000040938158	563158418	/nfs/dbraw/zinc/15/84/18/563158418.db2.gz	WSDDLOFMSFDUOC-CYBMUJFWSA-N	-1	3	494.551	1.933	1	5		JDBFHM
O=c1[n-]cc(F)c(=O)n1[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2CO1	ZINC000029128417	563096221	/nfs/dbraw/zinc/09/62/21/563096221.db2.gz	SBVSKRMAXXCFKC-QGZVFWFLSA-N	-1	3	462.415	1.508	1	5		JDBFHM
CO[C@H](CN(c1ccccc1CO)S(=O)(=O)c1ccc([N+](=O)[O-])cc1)n1cc(F)c(=O)[n-]c1=O	ZINC000029127948	563095959	/nfs/dbraw/zinc/09/59/59/563095959.db2.gz	VAWMRPAVVMSJNO-GOSISDBHSA-N	-1	3	494.457	1.117	1	5		JDBFHM
CO[C@@H](CN(c1ccccc1CO)S(=O)(=O)c1ccccc1[N+](=O)[O-])n1cc(F)c(=O)[n-]c1=O	ZINC000029127949	563095963	/nfs/dbraw/zinc/09/59/63/563095963.db2.gz	VKVDYXVSLWEQHG-SFHVURJKSA-N	-1	3	494.457	1.117	1	5		JDBFHM
O=c1[n-]cc(F)c(=O)n1[C@@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])c2ccccc2CO1	ZINC000029128416	563096219	/nfs/dbraw/zinc/09/62/19/563096219.db2.gz	SBVSKRMAXXCFKC-KRWDZBQOSA-N	-1	3	462.415	1.508	1	5		JDBFHM
O=c1[n-]cc(F)c(=O)n1[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2CO1	ZINC000029128454	563096236	/nfs/dbraw/zinc/09/62/36/563096236.db2.gz	XLEFWMVLYSIXPX-QGZVFWFLSA-N	-1	3	462.415	1.508	1	5		JDBFHM
O=c1[n-]c(=O)n([C@@H]2CN(S(=O)(=O)c3ccccc3[N+](=O)[O-])c3ccccc3CO2)cc1F	ZINC000029128559	563096315	/nfs/dbraw/zinc/09/63/15/563096315.db2.gz	NQFSDHDOVYGPGH-KRWDZBQOSA-N	-1	3	462.415	1.508	1	5		JDBFHM