smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(OC)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1	ZINC000095583139	185381189	/nfs/dbraw/zinc/38/11/89/185381189.db2.gz	VXPAMWVVWOOAQG-FRFSOERESA-N	0	3	314.429	2.757	1	10		DFCFHN
CCn1cc2c3c1cccc3[C@H]1C[C@H](C(=O)OC)CN(C)[C@@H]1C2	ZINC000040676414	183116384	/nfs/dbraw/zinc/11/63/84/183116384.db2.gz	UOOUTXUBCNKZJO-YSVLISHTSA-N	0	3	312.413	2.794	1	10		DFCFHN
Oc1cc2c(cc1O)[C@H]1c3cc4c(nc3CN[C@@H]1CC2)CCCC4	ZINC000028763855	182537681	/nfs/dbraw/zinc/53/76/81/182537681.db2.gz	BDRPLVMDSVQGDO-UZLBHIALSA-N	0	3	322.408	2.922	1	10		DFCFHN
CCn1cc2c3c1cccc3[C@H]1C[C@@H](C(=O)OC)CN(C)[C@H]1C2	ZINC000029481358	182566739	/nfs/dbraw/zinc/56/67/39/182566739.db2.gz	UOOUTXUBCNKZJO-UNEWFSDZSA-N	0	3	312.413	2.794	1	10		DFCFHN
COc1cc2c(cc1O)[C@@H]1Cc3cc(O)c([O-])cc3[N+]1(C)CC2	ZINC000013411127	571700673	/nfs/dbraw/zinc/70/06/73/571700673.db2.gz	HVZWFRMKXRRMBK-KTQQKIMGSA-O	0	3	314.361	2.603	1	10	endogenous,in-man	DFCFHN
CCn1cc2c3c1cccc3[C@@H]1C[C@H](C(=O)OC)CN(C)[C@@H]1C2	ZINC000040676412	183116514	/nfs/dbraw/zinc/11/65/14/183116514.db2.gz	UOOUTXUBCNKZJO-JLJPHGGASA-N	0	3	312.413	2.794	1	10		DFCFHN
O=C1c2ccccc2-c2nc(N3CCNCC3)c3ccccc3c21	ZINC000066079465	134829957	/nfs/dbraw/zinc/82/99/57/134829957.db2.gz	YTZXWZQNODGILD-UHFFFAOYSA-N	0	3	315.376	2.856	1	10		DFCFHN
COc1cc2c(cc1O)[C@H]1Cc3cc(O)c([O-])cc3[N+]1(C)CC2	ZINC000014947545	571728622	/nfs/dbraw/zinc/72/86/22/571728622.db2.gz	HVZWFRMKXRRMBK-MJTSIZKDSA-O	0	3	314.361	2.603	1	10	endogenous,in-man	DFCFHN