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](N)CC[NH3+])[C@@H](O)[C@@H](C)O1	ZINC000104216472	571377065	/nfs/dbraw/zinc/37/70/65/571377065.db2.gz	OXRRWZHNLXPQBD-YOGKKAGJSA-N	1	0	627.647	-0.138	40	10		KBCBRO
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](N)CC[NH3+])[C@@H](O)[C@H](C)O1	ZINC000104216478	571377118	/nfs/dbraw/zinc/37/71/18/571377118.db2.gz	OXRRWZHNLXPQBD-CVOKYDSCSA-N	1	0	627.647	-0.138	40	10		KBCBRO
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](N)CC[NH3+])[C@H](O)[C@@H](C)O1	ZINC000104216484	571377090	/nfs/dbraw/zinc/37/70/90/571377090.db2.gz	OXRRWZHNLXPQBD-CRYZEQTGSA-N	1	0	627.647	-0.138	40	10		KBCBRO
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](N)CC[NH3+])[C@H](O)[C@H](C)O1	ZINC000104216489	571377083	/nfs/dbraw/zinc/37/70/83/571377083.db2.gz	OXRRWZHNLXPQBD-AJLWONPQSA-N	1	0	627.647	-0.138	40	10		KBCBRO
O=C1C[C@@H]2O[C@H](CNC(=O)[C@@H]3CN(CCN3Cc3ccc(F)c(F)c3)C(=O)[C@@H]3C[C@@H](C[N@H+]3Cc3ccccc3O)N1)[C@@H](O)[C@H]2O	ZINC000225436048	571804194	/nfs/dbraw/zinc/80/41/94/571804194.db2.gz	LFXYMELUYQSQKU-FLIBBYGBSA-N	1	0	629.661	-0.548	40	10		KBCBRO