smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(/C=N/CCC23CC4CC(C2)CC(CC/[NH+]=C/c2ccc([N+](=O)[O-])cc2)(C4)C3)cc1 ZINC000012492741 527344403 /nfs/dbraw/zinc/34/44/03/527344403.db2.gz FYVFTBMLGFSESP-ZZASANORSA-N 1 3 488.588 6.408 50 30 JKEAHO Clc1ccc(/C=N/CCC23CC4CC(C2)CC(CC/[NH+]=C/c2ccc(Cl)cc2)(C4)C3)cc1 ZINC000015906650 526938641 /nfs/dbraw/zinc/93/86/41/526938641.db2.gz KROLUMKKJPOASG-QCPYDNSOSA-N 1 3 467.484 7.898 50 30 JKEAHO