smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000160752698 373058720 /nfs/dbraw/zinc/05/87/20/373058720.db2.gz ZQUCXGRPAJHYPF-UONOGXRCSA-N 2 2 324.425 -1.013 20 70 DAIDLP C[NH2+][C@H]1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000160752833 373057408 /nfs/dbraw/zinc/05/74/08/373057408.db2.gz ZQUCXGRPAJHYPF-KBPBESRZSA-N 2 2 324.425 -1.013 20 70 DAIDLP C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000160752594 373058064 /nfs/dbraw/zinc/05/80/64/373058064.db2.gz ZQUCXGRPAJHYPF-KGLIPLIRSA-N 2 2 324.425 -1.013 20 70 DAIDLP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000160752460 373058144 /nfs/dbraw/zinc/05/81/44/373058144.db2.gz ZQUCXGRPAJHYPF-ZIAGYGMSSA-N 2 2 324.425 -1.013 20 70 DAIDLP