smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1ccc2c(c1[O-])[C@H](c1ccc(Cl)cc1Cl)CC(=O)O2	ZINC000218310172	206368240	/nfs/dbraw/zinc/36/82/40/206368240.db2.gz	HWOIQMQJWSMDHK-LBPRGKRZSA-N	-1	3	351.185	4.343	50	70		FIIAHM
CC[C@H](NC(=O)Cc1ccc([O-])c(Cl)c1)c1nc2cc(C)ccc2[nH]1	ZINC000217531455	206364676	/nfs/dbraw/zinc/36/46/76/206364676.db2.gz	XKAJOWOUFGOBCW-AWEZNQCLSA-N	-1	3	357.841	4.040	50	70		FIIAHM
CC[C@H](NC(=O)Cc1ccc([O-])c(Cl)c1)c1nc2ccc(C)cc2[nH]1	ZINC000217531455	206364679	/nfs/dbraw/zinc/36/46/79/206364679.db2.gz	XKAJOWOUFGOBCW-AWEZNQCLSA-N	-1	3	357.841	4.040	50	70		FIIAHM
CC(=O)c1ccc2c(c1[O-])[C@@H](c1ccc(Cl)cc1Cl)CC(=O)O2	ZINC000218310198	568227517	/nfs/dbraw/zinc/22/75/17/568227517.db2.gz	HWOIQMQJWSMDHK-GFCCVEGCSA-N	-1	3	351.185	4.343	50	70		FIIAHM
COc1ccc([C@@H]2CC(=O)Oc3ccc(C(C)=O)c([O-])c32)c2ccccc12	ZINC000217600177	571349122	/nfs/dbraw/zinc/34/91/22/571349122.db2.gz	MGEQSHMXSJBWPM-KRWDZBQOSA-N	-1	3	362.381	4.198	50	70	biogenic	FIIAHM
CC[C@@H](NC(=O)Cc1ccc([O-])c(Cl)c1)c1nc2cc(C)ccc2[nH]1	ZINC000217531373	568190271	/nfs/dbraw/zinc/19/02/71/568190271.db2.gz	XKAJOWOUFGOBCW-CQSZACIVSA-N	-1	3	357.841	4.040	50	70		FIIAHM
CC[C@@H](NC(=O)Cc1ccc([O-])c(Cl)c1)c1nc2ccc(C)cc2[nH]1	ZINC000217531373	568190272	/nfs/dbraw/zinc/19/02/72/568190272.db2.gz	XKAJOWOUFGOBCW-CQSZACIVSA-N	-1	3	357.841	4.040	50	70		FIIAHM
COc1ccc([C@H]2CC(=O)Oc3ccc(C(C)=O)c([O-])c32)c2ccccc12	ZINC000217600261	571349138	/nfs/dbraw/zinc/34/91/38/571349138.db2.gz	MGEQSHMXSJBWPM-QGZVFWFLSA-N	-1	3	362.381	4.198	50	70	biogenic	FIIAHM
[O-]c1c([C@@H](c2ccccc2Cl)N2CCCCCC2)sc2ncnn12	ZINC000218470371	568235647	/nfs/dbraw/zinc/23/56/47/568235647.db2.gz	MHQUJBCOAKPQTK-CQSZACIVSA-N	-1	3	362.886	4.115	50	70		FIIAHM
[O-]c1c([C@H](c2ccccc2Cl)N2CCCCCC2)sc2ncnn12	ZINC000218470304	568235631	/nfs/dbraw/zinc/23/56/31/568235631.db2.gz	MHQUJBCOAKPQTK-AWEZNQCLSA-N	-1	3	362.886	4.115	50	70		FIIAHM