smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)/[N+]([O-])=N/Oc1ccc([N+](=O)[O-])cn1	ZINC000034505514	172353166	/nfs/dbraw/zinc/35/31/66/172353166.db2.gz	JRTOEMNMWNIAQL-XFXZXTDPSA-N	0	3	227.180	0.723	1	10		BCCFHN
[NH3+]CCNCc1c([O-])ccc2ccc(=O)oc21	ZINC000040818309	181396318	/nfs/dbraw/zinc/39/63/18/181396318.db2.gz	PIRHQZKETDGNCP-UHFFFAOYSA-N	0	3	234.255	0.547	1	10		BCCFHN
NCC[NH2+]Cc1c([O-])ccc2ccc(=O)oc21	ZINC000040818309	181396320	/nfs/dbraw/zinc/39/63/20/181396320.db2.gz	PIRHQZKETDGNCP-UHFFFAOYSA-N	0	3	234.255	0.547	1	10		BCCFHN
CN(C)/[N+]([O-])=N\Oc1ccc([N+](=O)[O-])cn1	ZINC000040565843	172353885	/nfs/dbraw/zinc/35/38/85/172353885.db2.gz	JRTOEMNMWNIAQL-FMIVXFBMSA-N	0	3	227.180	0.723	1	10		BCCFHN
Oc1cc2c(cc1O)O[C@@H](C1=NCCN1)CO2	ZINC000027889595	183263068	/nfs/dbraw/zinc/26/30/68/183263068.db2.gz	YAWHAALAZZOWAU-SNVBAGLBSA-N	0	3	236.227	0.239	1	10		BCCFHN
C[NH2+]C[C@H](O)c1cc(F)c([O-])c(O)c1F	ZINC000013834254	173377017	/nfs/dbraw/zinc/37/70/17/173377017.db2.gz	KCSBHJHUGQEHSD-LURJTMIESA-N	0	3	219.187	0.629	1	10		BCCFHN
[NH3+]CCCNCc1c([O-])ccc2ccc(=O)oc21	ZINC000013674222	181384152	/nfs/dbraw/zinc/38/41/52/181384152.db2.gz	ZFSGKZKORXNTTL-UHFFFAOYSA-N	0	3	248.282	0.937	1	10		BCCFHN
[NH3+][C@H](CCC[NH2+]Cc1ccccc1[O-])C(=O)[O-]	ZINC000001626578	181614906	/nfs/dbraw/zinc/61/49/06/181614906.db2.gz	DYUZRCIJNHHNFB-SNVBAGLBSA-N	0	3	238.287	0.674	1	10		BCCFHN
C[NH2+]C[C@@H](O)c1cc(F)c([O-])c(O)c1F	ZINC000013834253	173365574	/nfs/dbraw/zinc/36/55/74/173365574.db2.gz	KCSBHJHUGQEHSD-ZCFIWIBFSA-N	0	3	219.187	0.629	1	10		BCCFHN
[O-]c1c(O)ccc(CC2=[NH+]CCN2)c1F	ZINC000040466675	183268818	/nfs/dbraw/zinc/26/88/18/183268818.db2.gz	NEAWISPDTYNJKD-UHFFFAOYSA-N	0	3	210.208	0.781	1	10		BCCFHN
[O-]c1ccc(CC2=[NH+]CCN2)c(F)c1O	ZINC000040466675	183268819	/nfs/dbraw/zinc/26/88/19/183268819.db2.gz	NEAWISPDTYNJKD-UHFFFAOYSA-N	0	3	210.208	0.781	1	10		BCCFHN
Oc1cc2c(cc1O)O[C@H](C1=NCCN1)CO2	ZINC000027889590	183263128	/nfs/dbraw/zinc/26/31/28/183263128.db2.gz	YAWHAALAZZOWAU-JTQLQIEISA-N	0	3	236.227	0.239	1	10		BCCFHN