smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1=NC(=NNc2ccc(C(=O)[O-])c(Cl)c2)C(COP(=O)([O-])[O-])=C(C=O)C1=O	ZINC000004392986	562943241	/nfs/dbraw/zinc/94/32/41/562943241.db2.gz	KMRWDYZPXRUNAQ-VHEBQXMUSA-N	-3	0	429.709	3.284	1	10		IGCFRL
C[C@@H](C(=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000013840041	563012305	/nfs/dbraw/zinc/01/23/05/563012305.db2.gz	HLKWLOAKMKBIRN-VIFPVBQESA-N	-2	0	449.268	3.271	1	10		IGCFRL
C[C@@H](C(=O)[O-])N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000013863140	563013265	/nfs/dbraw/zinc/01/32/65/563013265.db2.gz	VYEVWEXAZHYYOG-VIFPVBQESA-N	-2	0	449.268	3.271	1	10		IGCFRL
COc1cc2cc(C(=O)[O-])nc(C(=O)c3ccc(O)c(O)c3)c2c(Br)c1[O-]	ZINC000013470140	562987676	/nfs/dbraw/zinc/98/76/76/562987676.db2.gz	IJKZXTUQQILWMJ-UHFFFAOYSA-N	-2	0	434.198	3.052	1	10		IGCFRL
COc1cc(/C=C/C(=O)[O-])ccc1N(C)CCN(C)c1ccc(/C=C/C(=O)[O-])cc1OC	ZINC000028903283	563069169	/nfs/dbraw/zinc/06/91/69/563069169.db2.gz	ZOAUJKRCPBFTQO-MKICQXMISA-N	-2	0	440.496	3.472	1	10		IGCFRL
Cc1cc(O)c2c(c1)C(=O)c1c(Br)c([O-])c(Br)c([O-])c1C2=O	ZINC000038428321	563097705	/nfs/dbraw/zinc/09/77/05/563097705.db2.gz	GPTMXAZKVCUZCW-UHFFFAOYSA-N	-2	0	428.032	3.412	1	10		IGCFRL
C[C@H](C(=O)[O-])N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000027555247	563043718	/nfs/dbraw/zinc/04/37/18/563043718.db2.gz	HLKWLOAKMKBIRN-SECBINFHSA-N	-2	0	449.268	3.271	1	10		IGCFRL
COc1cc(/C=C/C(=O)[O-])ccc1N1CCN(c2ccc(/C=C/C(=O)[O-])cc2OC)CC1	ZINC000028903287	563069168	/nfs/dbraw/zinc/06/91/68/563069168.db2.gz	SYCRBYZSJLVKDE-NXZHAISVSA-N	-2	0	438.480	3.226	1	10		IGCFRL
C[C@H](C(=O)[O-])N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)c1cc(Cl)cc(Cl)c1[O-]	ZINC000026377764	563031260	/nfs/dbraw/zinc/03/12/60/563031260.db2.gz	VYEVWEXAZHYYOG-SECBINFHSA-N	-2	0	449.268	3.271	1	10		IGCFRL