smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc(OC)c1C(=O)N[C@@H](CCCCNC(=O)c1cccc(OCC(=O)[O-])c1)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])c(O)c1)C(N)=O	ZINC000049780079	562681336	/nfs/dbraw/zinc/68/13/36/562681336.db2.gz	SPPASKCWDHMFQS-GOTSBHOMSA-N	-1	2	695.682	1.693	1	5		KDBFLM
COc1cc(OC)cc(C(=O)N[C@@H](CCCNC(=O)c2cccc(OCC(=O)[O-])c2)C(=O)N[C@@H](Cc2ccc([N+](=O)[O-])c(O)c2)C(N)=O)c1	ZINC000049780519	562681887	/nfs/dbraw/zinc/68/18/87/562681887.db2.gz	KVORYJNZOZKTGQ-DQEYMECFSA-N	-1	2	681.655	1.302	1	5		KDBFLM
O=c1[nH]c(SCc2ccc([N+](=O)[O-])cc2Cl)nc2[nH]c([C@H]3O[C@@H](CO[P@](=O)([O-])O)[C@H](O)[C@@H]3O)nc21	ZINC000049792722	562684490	/nfs/dbraw/zinc/68/44/90/562684490.db2.gz	ZLCKIAFHCBNXGY-BQUFFADESA-N	-1	2	549.842	1.183	1	5		KDBFLM
O=c1[nH]c(SCc2ccc([N+](=O)[O-])cc2Cl)nc2[nH]c([C@H]3O[C@@H](CO[P@@](=O)([O-])O)[C@H](O)[C@@H]3O)nc21	ZINC000049792722	562684489	/nfs/dbraw/zinc/68/44/89/562684489.db2.gz	ZLCKIAFHCBNXGY-BQUFFADESA-N	-1	2	549.842	1.183	1	5		KDBFLM
O=c1[nH]c(SCc2ccc([N+](=O)[O-])cc2Cl)nc2[nH]c([C@@H]3O[C@@H](CO[P@](=O)([O-])O)[C@H](O)[C@@H]3O)nc21	ZINC000049792723	562684500	/nfs/dbraw/zinc/68/45/00/562684500.db2.gz	ZLCKIAFHCBNXGY-XYJRDEOASA-N	-1	2	549.842	1.183	1	5		KDBFLM
O=c1[nH]c(SCc2ccc([N+](=O)[O-])cc2Cl)nc2[nH]c([C@@H]3O[C@@H](CO[P@@](=O)([O-])O)[C@H](O)[C@@H]3O)nc21	ZINC000049792723	562684499	/nfs/dbraw/zinc/68/44/99/562684499.db2.gz	ZLCKIAFHCBNXGY-XYJRDEOASA-N	-1	2	549.842	1.183	1	5		KDBFLM
O=C([O-])c1cc(C(=O)NCCCCO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc(-c2c3ccc(=O)cc-3oc3cc(O)ccc32)c1	ZINC000084561280	562743351	/nfs/dbraw/zinc/74/33/51/562743351.db2.gz	HJSISZYGPBMIJW-KULBADPZSA-N	-1	2	609.584	1.295	1	5		KDBFLM