smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)C[NH+]1CCN(c2ccc(N)cc2)CC1 ZINC000057469967 132365772 /nfs/dbraw/zinc/36/57/72/132365772.db2.gz GURAYVAOOBLYHI-UHFFFAOYSA-N 1 2 234.303 -0.124 10 10 BBCELO NS(=O)(=O)c1cccc(C[NH3+])c1O ZINC000095722736 187287785 /nfs/dbraw/zinc/28/77/85/187287785.db2.gz PRVPBKARPQYHRH-UHFFFAOYSA-N 1 2 202.235 -0.502 10 10 BBCELO