smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nn(C)c(-c2cccs2)c1[N+](=O)NC#N ZINC000071333890 187275516 /nfs/dbraw/zinc/27/55/16/187275516.db2.gz FSDFEIYUTNUOFD-QINSGFPZSA-N 1 3 247.283 2.532 1 10 BFCFHO