smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)C(=O)C(=Cn1c([O-])cc(=O)[n-]c1=S)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001637220	557277980	/nfs/dbraw/zinc/27/79/80/557277980.db2.gz	VVXNRRJUPLWPJB-JXMROGBWSA-N	-2	3	405.344	0.037	40	30		HCEBHL
COC(=O)C(=O)C(=Cn1c([O-])cc(=O)[n-]c1=S)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000008665135	557799274	/nfs/dbraw/zinc/79/92/74/557799274.db2.gz	VVXNRRJUPLWPJB-YFHOEESVSA-N	-2	3	405.344	0.037	40	30		HCEBHL
Cc1ccc(S(=O)([O-])=NC(=O)NCCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cc1	ZINC000016310165	558785099	/nfs/dbraw/zinc/78/50/99/558785099.db2.gz	MZSOSMRQLLFBQK-AWEZNQCLSA-N	-2	3	423.451	0.113	40	30		HCEBHL
Cc1ccc(S(=O)([O-])=NC(=O)NCCC(=O)N[C@H](Cc2c[nH]cn2)C(=O)[O-])cc1	ZINC000016310169	558785028	/nfs/dbraw/zinc/78/50/28/558785028.db2.gz	MZSOSMRQLLFBQK-CQSZACIVSA-N	-2	3	423.451	0.113	40	30		HCEBHL
CN(C)[C@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4C[C@H]3C[C@@H]12	ZINC000059364526	558934640	/nfs/dbraw/zinc/93/46/40/558934640.db2.gz	XDVCLKFLRAWGIT-QJBAFNDPSA-N	-2	3	414.414	0.121	40	30		HCEBHL
CN(C)[C@H]1C(=O)C(C(N)=O)=C([O-])[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4C[C@H]3C[C@@H]12	ZINC000059364526	558934639	/nfs/dbraw/zinc/93/46/39/558934639.db2.gz	XDVCLKFLRAWGIT-QJBAFNDPSA-N	-2	3	414.414	0.121	40	30		HCEBHL
CN(C)[C@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4C[C@H]3C[C@H]12	ZINC000059364527	558934588	/nfs/dbraw/zinc/93/45/88/558934588.db2.gz	XDVCLKFLRAWGIT-SLQXZUKBSA-N	-2	3	414.414	0.121	40	30		HCEBHL
CN(C)[C@H]1C(=O)C(C(N)=O)=C([O-])[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4C[C@H]3C[C@H]12	ZINC000059364527	558934587	/nfs/dbraw/zinc/93/45/87/558934587.db2.gz	XDVCLKFLRAWGIT-SLQXZUKBSA-N	-2	3	414.414	0.121	40	30		HCEBHL
CN(C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4C[C@H]3C[C@H]12	ZINC000059364530	558934616	/nfs/dbraw/zinc/93/46/16/558934616.db2.gz	XDVCLKFLRAWGIT-QPOZSOFGSA-N	-2	3	414.414	0.121	40	30		HCEBHL
CN(C)[C@@H]1C(=O)C(C(N)=O)=C([O-])[C@@]2(O)C(=O)C3=C([O-])c4c(O)cccc4C[C@H]3C[C@H]12	ZINC000059364530	558934614	/nfs/dbraw/zinc/93/46/14/558934614.db2.gz	XDVCLKFLRAWGIT-QPOZSOFGSA-N	-2	3	414.414	0.121	40	30		HCEBHL