smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(NN)=C1C(=O)NC(=O)NC1=O 103235893 166052796 /nfs/dbraw/zinc/05/27/96/166052796.db2.gz BJCJTMLXVPNSBY-WTDSWWLTSA-N 0 2 184.155 -1.697 1 30 AAEFLN