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)OC[C@H]1O[C@@H](OC2=CC(=O)c3cccc([O-])c3C2=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000008739986	553131542	/nfs/dbraw/zinc/13/15/42/553131542.db2.gz	CSKWWVYJAXDCIP-ANQOARCNSA-N	-1	3	520.443	0.755	40	30		KCEBHM
CC(=O)OC[C@@H]1O[C@@H](OC2=CC(=O)c3cccc([O-])c3C2=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000008739987	553131570	/nfs/dbraw/zinc/13/15/70/553131570.db2.gz	CSKWWVYJAXDCIP-KGZUAYNTSA-N	-1	3	520.443	0.755	40	30		KCEBHM
CC(=O)OC[C@@H]1O[C@@H](OC2=CC(=O)c3cccc([O-])c3C2=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000012652697	553410029	/nfs/dbraw/zinc/41/00/29/553410029.db2.gz	CSKWWVYJAXDCIP-PIAWWSJMSA-N	-1	3	520.443	0.755	40	30		KCEBHM
CC(=O)OC[C@H]1O[C@@H](OC2=CC(=O)c3cccc([O-])c3C2=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000012652703	553410021	/nfs/dbraw/zinc/41/00/21/553410021.db2.gz	CSKWWVYJAXDCIP-CJNUZUDLSA-N	-1	3	520.443	0.755	40	30		KCEBHM
CC(=O)OC[C@@H]1O[C@@H](OC2=CC(=O)c3c([O-])cccc3C2=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000012656584	553410703	/nfs/dbraw/zinc/41/07/03/553410703.db2.gz	NDLVJKROXRAOQG-PIAWWSJMSA-N	-1	3	520.443	0.755	40	30		KCEBHM
CC(=O)OC[C@H]1O[C@@H](OC2=CC(=O)c3c([O-])cccc3C2=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000012656587	553410585	/nfs/dbraw/zinc/41/05/85/553410585.db2.gz	NDLVJKROXRAOQG-CJNUZUDLSA-N	-1	3	520.443	0.755	40	30		KCEBHM
CC(=O)OC[C@H]1O[C@@H](OC2=CC(=O)c3c([O-])cccc3C2=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000033931861	553977372	/nfs/dbraw/zinc/97/73/72/553977372.db2.gz	NDLVJKROXRAOQG-ANQOARCNSA-N	-1	3	520.443	0.755	40	30		KCEBHM
CC(=O)OC[C@@H]1O[C@@H](OC2=CC(=O)c3c([O-])cccc3C2=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000033931862	553977356	/nfs/dbraw/zinc/97/73/56/553977356.db2.gz	NDLVJKROXRAOQG-KGZUAYNTSA-N	-1	3	520.443	0.755	40	30		KCEBHM
CC(C)OC[C@@H]1O[C@H](O[C@@H]2OCC[C@H]3[C@H](OC(=O)c4ccc([O-])cc4)[C@@H]4O[C@]4(CO)[C@H]32)[C@@H](O)[C@H](O)[C@H]1OC(C)C	ZINC000068569479	554539726	/nfs/dbraw/zinc/53/97/26/554539726.db2.gz	NDJHSYAYSHRPJZ-YOELEHEQSA-N	-1	3	568.616	0.722	40	30		KCEBHM
CC(=O)OC[C@H]1O[C@@H](OC2=CC(=O)c3cccc([O-])c3C2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000095742408	553711822	/nfs/dbraw/zinc/71/18/22/553711822.db2.gz	CSKWWVYJAXDCIP-REXJZNOJSA-N	-1	3	520.443	0.755	40	30		KCEBHM
CC(=O)OC[C@H]1O[C@@H](OC2=CC(=O)c3c([O-])cccc3C2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000095742410	553711863	/nfs/dbraw/zinc/71/18/63/553711863.db2.gz	NDLVJKROXRAOQG-REXJZNOJSA-N	-1	3	520.443	0.755	40	30		KCEBHM
CC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](COC(C)=O)O[C@@H](OC3=CC(=O)c4c([O-])cccc4C3=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000217364762	571601108	/nfs/dbraw/zinc/60/11/08/571601108.db2.gz	ZAYYDHWLJXZASK-SASVQJOTSA-N	-1	3	808.695	0.291	40	30		KCEBHM