smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCNC(=O)[C@H]1C[C@H]2[C@H](CC[N@@H+]2Cc2cccc(C#N)c2)O1 ZINC000096183651 436518836 /nfs/dbraw/zinc/51/88/36/436518836.db2.gz JLABDVNLBUFUEJ-OKZBNKHCSA-N 2 0 342.443 0.968 40 30 ECEBRP C=CC[N@@H+](C)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)NCCOC ZINC000067870682 215235694 /nfs/dbraw/zinc/23/56/94/215235694.db2.gz YFEBVOJPUQKYJV-HRCADAONSA-N 2 0 340.537 0.925 40 30 biogenic,in-vitro ECEBRP