smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(/C=C/C(=O)c2c(C)[nH+]c3ccccc3c2N)cc1 ZINC000017030812 182068859 /nfs/dbraw/zinc/06/88/59/182068859.db2.gz JSLGCVQKBMMCSP-VAWYXSNFSA-N 1 3 302.377 4.330 40 30 DIEBHO Cc1ccccc1NC(CC[NH+]1CCCCC1)=NC(C)(C)C ZINC000017123082 182076348 /nfs/dbraw/zinc/07/63/48/182076348.db2.gz FFMFQBKLSIBWEN-UHFFFAOYSA-N 1 3 301.478 4.480 40 30 DIEBHO