smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1C[C@@H](NC(=O)[C@H]([NH3+])CC[NH3+])[C@@H](O)[C@@H](C)O1	ZINC000104216472	571377066	/nfs/dbraw/zinc/37/70/66/571377066.db2.gz	OXRRWZHNLXPQBD-YOGKKAGJSA-N	2	1	627.647	-0.138	40	10		KBCBMP
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1C[C@@H](NC(=O)[C@H]([NH3+])CC[NH3+])[C@@H](O)[C@H](C)O1	ZINC000104216478	571377119	/nfs/dbraw/zinc/37/71/19/571377119.db2.gz	OXRRWZHNLXPQBD-CVOKYDSCSA-N	2	1	627.647	-0.138	40	10		KBCBMP
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1C[C@@H](NC(=O)[C@H]([NH3+])CC[NH3+])[C@H](O)[C@@H](C)O1	ZINC000104216484	571377091	/nfs/dbraw/zinc/37/70/91/571377091.db2.gz	OXRRWZHNLXPQBD-CRYZEQTGSA-N	2	1	627.647	-0.138	40	10		KBCBMP
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@H]3O[C@H]1C[C@@H](NC(=O)[C@H]([NH3+])CC[NH3+])[C@H](O)[C@H](C)O1	ZINC000104216489	571377084	/nfs/dbraw/zinc/37/70/84/571377084.db2.gz	OXRRWZHNLXPQBD-AJLWONPQSA-N	2	1	627.647	-0.138	40	10		KBCBMP