smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@H](c2cnn(C)c2)CC(=O)O4)cc1O	ZINC000217700571	569451906	/nfs/dbraw/zinc/45/19/06/569451906.db2.gz	ZLYFGFWTIYCNGN-ZDUSSCGKSA-N	-1	1	434.404	3.054	50	70		IGIAMM
COc1ccccc1[C@@H](CC(N)=O)c1c(Cc2ccc3c(c2)CCC(C)(C)O3)[n-][nH]c1=O	ZINC000218525418	568759885	/nfs/dbraw/zinc/75/98/85/568759885.db2.gz	ITSNMMWYENNCID-GOSISDBHSA-N	-1	1	435.524	3.413	50	70		IGIAMM
COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@@H](c2ccnn2C)CC(=O)O4)cc1O	ZINC000217670991	569451233	/nfs/dbraw/zinc/45/12/33/569451233.db2.gz	TVMDIEJYMBRMKM-GFCCVEGCSA-N	-1	1	434.404	3.054	50	70		IGIAMM
COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@H](c2cnn(C)c2C)CC(=O)O4)cc1O	ZINC000217883598	569454560	/nfs/dbraw/zinc/45/45/60/569454560.db2.gz	CSENZAGNRKWIAZ-ZDUSSCGKSA-N	-1	1	448.431	3.363	50	70		IGIAMM
CCOC(=O)Cc1[n-][nH]c(=O)c1[C@@H](CC(N)=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	ZINC000218185157	569456689	/nfs/dbraw/zinc/45/66/89/569456689.db2.gz	LLEYDBCWGYECFA-AWEZNQCLSA-N	-1	1	445.560	3.117	50	70		IGIAMM
CCOC(=O)Cc1[n-][nH]c(=O)c1[C@H](CC(N)=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	ZINC000218185085	569456650	/nfs/dbraw/zinc/45/66/50/569456650.db2.gz	LLEYDBCWGYECFA-CQSZACIVSA-N	-1	1	445.560	3.117	50	70		IGIAMM
COc1ccc([C@H](CC(N)=O)c2c(Cc3ccc4c(c3)CCC(C)(C)O4)[n-][nH]c2=O)cc1	ZINC000218561933	557207534	/nfs/dbraw/zinc/20/75/34/557207534.db2.gz	MLLVVILXKDTPHK-IBGZPJMESA-N	-1	1	435.524	3.413	50	70		IGIAMM
COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@H](c2ccnn2C)CC(=O)O4)cc1O	ZINC000217671082	569451198	/nfs/dbraw/zinc/45/11/98/569451198.db2.gz	TVMDIEJYMBRMKM-LBPRGKRZSA-N	-1	1	434.404	3.054	50	70		IGIAMM
COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@@H](c2cnn(C)c2C)CC(=O)O4)cc1O	ZINC000217883519	569454554	/nfs/dbraw/zinc/45/45/54/569454554.db2.gz	CSENZAGNRKWIAZ-CYBMUJFWSA-N	-1	1	448.431	3.363	50	70		IGIAMM
COc1ccccc1[C@H](CC(N)=O)c1c(Cc2ccc3c(c2)CCC(C)(C)O3)[n-][nH]c1=O	ZINC000218525351	568759872	/nfs/dbraw/zinc/75/98/72/568759872.db2.gz	ITSNMMWYENNCID-SFHVURJKSA-N	-1	1	435.524	3.413	50	70		IGIAMM
COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@@H](c2cnn(C)c2)CC(=O)O4)cc1O	ZINC000217700470	569451876	/nfs/dbraw/zinc/45/18/76/569451876.db2.gz	ZLYFGFWTIYCNGN-CYBMUJFWSA-N	-1	1	434.404	3.054	50	70		IGIAMM
COc1ccc([C@@H](CC(N)=O)c2c(Cc3ccc4c(c3)CCC(C)(C)O4)[n-][nH]c2=O)cc1	ZINC000218562016	557207514	/nfs/dbraw/zinc/20/75/14/557207514.db2.gz	MLLVVILXKDTPHK-LJQANCHMSA-N	-1	1	435.524	3.413	50	70		IGIAMM