smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCCCN1CCC(O)CC1)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000040152971 483729911 /nfs/dbraw/zinc/72/99/11/483729911.db2.gz ZCBKZIVRKAPLKP-UHFFFAOYSA-N 1 3 370.494 -1.088 50 0 FAAAHO COC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CN ZINC000098043345 222222635 /nfs/dbraw/zinc/22/26/35/222222635.db2.gz OZEDDYCMXKRUEJ-RYUDHWBXSA-N 1 3 354.411 -1.818 50 0 FAAAHO COC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CN ZINC000098043345 222222634 /nfs/dbraw/zinc/22/26/34/222222634.db2.gz OZEDDYCMXKRUEJ-RYUDHWBXSA-N 1 3 354.411 -1.818 50 0 FAAAHO