smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CN(CC[N@H+](CC(=O)[O-])C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]	ZINC000027101782	561839032	/nfs/dbraw/zinc/83/90/32/561839032.db2.gz	LELDQACKYRSQMC-MRXNPFEDSA-N	-4	1	528.471	-1.165	1	5		KABFML
O=C([O-])CN(CC[N@H+](CC(=O)[O-])C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]	ZINC000027101785	561839028	/nfs/dbraw/zinc/83/90/28/561839028.db2.gz	LELDQACKYRSQMC-INIZCTEOSA-N	-4	1	528.471	-1.165	1	5		KABFML
O=C([O-])CN(CC[N@@H+](CC(=O)[O-])[C@H](Cc1ccc([N+](=O)[O-])cc1)CN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]	ZINC000027108054	561840716	/nfs/dbraw/zinc/84/07/16/561840716.db2.gz	PAYNCACCPSAIKK-MRXNPFEDSA-N	-4	1	528.471	-1.165	1	5		KABFML
O=C([O-])CN(CC[N@@H+](CC(=O)[O-])[C@@H](Cc1ccc([N+](=O)[O-])cc1)CN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]	ZINC000027108057	561840746	/nfs/dbraw/zinc/84/07/46/561840746.db2.gz	PAYNCACCPSAIKK-INIZCTEOSA-N	-4	1	528.471	-1.165	1	5		KABFML
Nc1nc(=O)n([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]2O)cc1[N+](=O)[O-]	ZINC000044220689	562652616	/nfs/dbraw/zinc/65/26/16/562652616.db2.gz	FDSJHYVWUMETJX-UAKXSSHOSA-N	-3	1	528.153	-2.304	1	5	in-vitro	KABFML
Nc1nc(=O)n([C@@H]2O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)cc1[N+](=O)[O-]	ZINC000044220689	562652615	/nfs/dbraw/zinc/65/26/15/562652615.db2.gz	FDSJHYVWUMETJX-UAKXSSHOSA-N	-3	1	528.153	-2.304	1	5	in-vitro	KABFML
CC(C)C[C@H](NC(=O)[C@@H](N)CC(=O)NC(=O)c1ccccc1N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccc([O-])c([N+](=O)[O-])c1)C(N)=O	ZINC000095535676	562753752	/nfs/dbraw/zinc/75/37/52/562753752.db2.gz	QLZHQISESMNVEC-KEOOTSPTSA-N	-2	1	783.796	-1.449	1	5		KABFML
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CC(=O)[O-])NC(=O)c1ccccc1N)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc([O-])c([N+](=O)[O-])c1)C(N)=O	ZINC000095542827	562756862	/nfs/dbraw/zinc/75/68/62/562756862.db2.gz	MFOUXGPHCKLNLI-OEKRXHEWSA-N	-2	1	810.822	-1.484	1	5		KABFML
CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccccc1N)C(=O)N[C@@H](Cc1ccc([O-])c([N+](=O)[O-])c1)C(N)=O	ZINC000095543589	562757385	/nfs/dbraw/zinc/75/73/85/562757385.db2.gz	DFZLHKMCICBCKY-LROMGURASA-N	-2	1	796.795	-1.873	1	5		KABFML
O=c1nc(NOCc2ccc([N+](=O)[O-])cc2)ccn1[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000169328391	562858348	/nfs/dbraw/zinc/85/83/48/562858348.db2.gz	HFBYGNURQMHJFJ-NMFUWQPSSA-N	-2	1	554.298	-0.459	1	5		KABFML
O=c1nc(NOCc2ccc([N+](=O)[O-])cc2)ccn1[C@@H]1O[C@H](CO[P@@](=O)([O-])O[P@@](=O)([O-])O)[C@@H](O)[C@H]1O	ZINC000169328391	562858347	/nfs/dbraw/zinc/85/83/47/562858347.db2.gz	HFBYGNURQMHJFJ-NMFUWQPSSA-N	-2	1	554.298	-0.459	1	5		KABFML
O=c1c2cc(OS(=O)(=O)[O-])c(OS(=O)(=O)[O-])cc2oc2cc(OS(=O)(=O)[O-])c([C@@H]3O[C@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]3OS(=O)(=O)[O-])c([O-])c21	ZINC000169728177	562871385	/nfs/dbraw/zinc/87/13/85/562871385.db2.gz	ZAYZYKTZYDABSH-PXHCZXJWSA-N	-8	1	982.790	-2.980	1	5		KABFML