smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1)C2 ZINC000101061078 219115003 /nfs/dbraw/zinc/11/50/03/219115003.db2.gz NIYGPRSVPKAIKA-PLACYPQZSA-N 2 2 340.898 4.644 20 0 EJADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H](c1ccccc1)c1ccc(Cl)cc1)C2 ZINC000101061078 219115006 /nfs/dbraw/zinc/11/50/06/219115006.db2.gz NIYGPRSVPKAIKA-PLACYPQZSA-N 2 2 340.898 4.644 20 0 EJADLP