smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc([O-])c2c(c1)C(=O)c1cc(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc([O-])c1C2=O	ZINC000004098673	560196004	/nfs/dbraw/zinc/19/60/04/560196004.db2.gz	DTTVUKLWJFJOHO-FUCRAMRQSA-N	-2	3	416.382	0.388	50	10	in-vitro	HCCAHL
Cc1cc([O-])c2c(c1)C(=O)c1cc(O[C@@H]3OC[C@](O)(CO)[C@H]3O)cc([O-])c1C2=O	ZINC000004098675	291181739	/nfs/dbraw/zinc/18/17/39/291181739.db2.gz	AEQMIFRODRFTJF-SLFFLAALSA-N	-2	3	402.355	0.001	50	10	in-vitro	HCCAHL
O=C1[N-]C(=S)NC(=O)C1=CNc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000017174257	558824778	/nfs/dbraw/zinc/82/47/78/558824778.db2.gz	ZPSNNQDIMNTLSB-UHFFFAOYSA-N	-2	3	409.474	0.771	50	10		HCCAHL
O=C([O-])c1cccc(N2C(=O)[C@@H]3[C@H](C(=O)[O-])[NH2+][C@@H](c4ccc(O)cc4[O-])[C@H]3C2=O)c1	ZINC000106937956	526390843	/nfs/dbraw/zinc/39/08/43/526390843.db2.gz	UGVOSROMMQJALH-YHUYYLMFSA-N	-2	3	412.354	0.699	50	10		HCCAHL
O=C([O-])c1cccc(N2C(=O)[C@@H]3[C@H](C(=O)[O-])[NH2+][C@H](c4ccc(O)cc4[O-])[C@H]3C2=O)c1	ZINC000106937958	560894838	/nfs/dbraw/zinc/89/48/38/560894838.db2.gz	UGVOSROMMQJALH-CAOSSQGBSA-N	-2	3	412.354	0.699	50	10		HCCAHL
O=C([O-])c1cccc(N2C(=O)[C@H]3[C@H](c4ccc(O)cc4[O-])[NH2+][C@@H](C(=O)[O-])[C@H]3C2=O)c1	ZINC000226985501	569039930	/nfs/dbraw/zinc/03/99/30/569039930.db2.gz	UGVOSROMMQJALH-FXUDXRNXSA-N	-2	3	412.354	0.699	50	10		HCCAHL
O=C([O-])c1cccc(N2C(=O)[C@H]3[C@@H](c4ccc(O)cc4[O-])[NH2+][C@@H](C(=O)[O-])[C@H]3C2=O)c1	ZINC000248006906	569057634	/nfs/dbraw/zinc/05/76/34/569057634.db2.gz	UGVOSROMMQJALH-QKPAOTATSA-N	-2	3	412.354	0.699	50	10		HCCAHL