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(SCc2ccc([N+](=O)[O-])cc2Cl)nc2[nH]c([C@H]3O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]3O)nc21	ZINC000049792722	562684488	/nfs/dbraw/zinc/68/44/88/562684488.db2.gz	ZLCKIAFHCBNXGY-BQUFFADESA-N	-3	1	549.842	1.183	1	5		KDBFML
O=[N+]([O-])c1ccc(CSc2nc3nc([C@H]4O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]4O)nc-3c(O)[n-]2)c(Cl)c1	ZINC000049792722	562684487	/nfs/dbraw/zinc/68/44/87/562684487.db2.gz	ZLCKIAFHCBNXGY-BQUFFADESA-N	-3	1	549.842	1.183	1	5		KDBFML
O=c1[n-]c(SCc2ccc([N+](=O)[O-])cc2Cl)nc2[nH]c([C@@H]3O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]3O)nc21	ZINC000049792723	562684498	/nfs/dbraw/zinc/68/44/98/562684498.db2.gz	ZLCKIAFHCBNXGY-XYJRDEOASA-N	-3	1	549.842	1.183	1	5		KDBFML
O=[N+]([O-])c1ccc(CSc2nc3nc([C@@H]4O[C@@H](COP(=O)([O-])[O-])[C@H](O)[C@@H]4O)nc-3c(O)[n-]2)c(Cl)c1	ZINC000049792723	562684497	/nfs/dbraw/zinc/68/44/97/562684497.db2.gz	ZLCKIAFHCBNXGY-XYJRDEOASA-N	-3	1	549.842	1.183	1	5		KDBFML
Nc1nc(N)c(CCN(Cc2ccc(N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)[nH]1	ZINC000053093611	562696254	/nfs/dbraw/zinc/69/62/54/562696254.db2.gz	YZJBDWKZIRXYBB-INIZCTEOSA-N	-2	1	588.509	1.869	1	5		KDBFML
Nc1nc(N)c(CCN(Cc2ccc(N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)c2cc(F)c([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)[nH]1	ZINC000053093612	562696228	/nfs/dbraw/zinc/69/62/28/562696228.db2.gz	YZJBDWKZIRXYBB-MRXNPFEDSA-N	-2	1	588.509	1.869	1	5		KDBFML
COc1cc(CC=C(C)C)c(O)c2c(=O)c3cc(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc([O-])c3oc12	ZINC000095919300	560054552	/nfs/dbraw/zinc/05/45/52/560054552.db2.gz	FQFZNUKTSCMCQZ-DCNRUEEBSA-N	-2	1	504.488	1.053	1	5	biogenic,in-vitro	KDBFML
Nc1nc2ccc3ccc([N-]S(=O)(=O)c4ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc4)cc3c2c(=O)[nH]1	ZINC000100889258	562808472	/nfs/dbraw/zinc/80/84/72/562808472.db2.gz	ZKZXIYNNIUIQOE-SFHVURJKSA-N	-3	1	539.526	1.919	1	5		KDBFML
O=C([O-])[C@H](CO)NC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@@H](c2ccccc2[N+](=O)[O-])C=C(c2ccco2)N1c1ccncc1	ZINC000195509145	562872075	/nfs/dbraw/zinc/87/20/75/562872075.db2.gz	MFORGCBBPNSZSD-CTOYSFNJSA-N	-2	1	522.470	1.859	1	5		KDBFML