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)Cc1csc(C[N@@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000218224151 570308535 /nfs/dbraw/zinc/30/85/35/570308535.db2.gz YPKGGCPOZSMYSQ-OAHLLOKOSA-N 2 0 290.432 3.740 50 70 CHIARP C[NH+](C)Cc1csc(C[N@@H+]2CCC[C@H]2c2ccco2)c1 ZINC000218224208 570308473 /nfs/dbraw/zinc/30/84/73/570308473.db2.gz YPKGGCPOZSMYSQ-HNNXBMFYSA-N 2 0 290.432 3.740 50 70 CHIARP