smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(O)c(/C=N\[C@H]2[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]2O)c1	ZINC000005511800	527368717	/nfs/dbraw/zinc/36/87/17/527368717.db2.gz	XWUXMGHMKBBAFM-YHJSTZORSA-N	0	2	328.277	-1.481	10	30		EAEELN
O=[N+]([O-])c1ccc(O)c(/C=N\[C@@H]2[C@@H](O)[C@H](O)[C@H](CO)O[C@@H]2O)c1	ZINC000035185492	527368992	/nfs/dbraw/zinc/36/89/92/527368992.db2.gz	XWUXMGHMKBBAFM-OKZHFIARSA-N	0	2	328.277	-1.481	10	30		EAEELN
O=[N+]([O-])c1ccc(O)c(/C=N\[C@H]2[C@@H](O)[C@H](O)[C@H](CO)O[C@@H]2O)c1	ZINC000035185494	527369525	/nfs/dbraw/zinc/36/95/25/527369525.db2.gz	XWUXMGHMKBBAFM-BTXDMDNRSA-N	0	2	328.277	-1.481	10	30		EAEELN
CNC(=O)C(C#N)=c1[nH]c(=C2C(=O)NC(=O)NC2=O)c2ccccc21	ZINC000038634163	290332129	/nfs/dbraw/zinc/33/21/29/290332129.db2.gz	ACUPDOXCXXCPIX-LUAWRHEFSA-N	0	2	337.295	-1.055	10	30		EAEELN
O=[N+]([O-])c1ccc(O)c(/C=N\[C@@H]2[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]2O)c1	ZINC000101636523	304803854	/nfs/dbraw/zinc/80/38/54/304803854.db2.gz	XWUXMGHMKBBAFM-APPXOFKSSA-N	0	2	328.277	-1.481	10	30		EAEELN
O=[N+]([O-])c1ccc(O)c(/C=N/[C@@H]2[C@H](O)O[C@H](CO)[C@H](O)[C@@H]2O)c1	ZINC000254592679	686427391	/nfs/dbraw/zinc/42/73/91/686427391.db2.gz	XWUXMGHMKBBAFM-YYODXKSOSA-N	0	2	328.277	-1.481	10	30		EAEELN
O=[N+]([O-])c1ccc(O)c(/C=N/[C@@H]2[C@H](O)O[C@H](CO)[C@H](O)[C@H]2O)c1	ZINC000254592682	686427402	/nfs/dbraw/zinc/42/74/02/686427402.db2.gz	XWUXMGHMKBBAFM-ZNXYQSKJSA-N	0	2	328.277	-1.481	10	30		EAEELN