smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc(CN2CCC[N@H+](Cc3cccc(Br)c3O)CC2)cn1 ZINC000121576963 677399694 /nfs/dbraw/zinc/39/96/94/677399694.db2.gz WQPNRWNGZHMVLT-UHFFFAOYSA-N -1 2 379.302 2.596 10 10 GFCELM