smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]C(=O)C(=Nc2cccc3c(=O)[nH][nH]c(=O)c23)[C@@H](c2nc3ccccc3s2)C1=O ZINC000102979593 557311251 /nfs/dbraw/zinc/31/12/51/557311251.db2.gz WIDJFCRTFAJYBM-NJZDQMEHSA-N -1 2 433.405 0.908 40 30 ICEBLM