smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCCOc1cc([C@@H](C)NC2CC2)ccc1C(=O)OC ZINC000218662132 398346135 /nfs/dbraw/zinc/34/61/35/398346135.db2.gz HTLPBRXXTWQSEG-GFCCVEGCSA-N 0 3 307.390 2.702 10 70 DFIEHN COCCCOc1cc([C@H](C)NC2CC2)ccc1C(=O)OC ZINC000218662045 398346173 /nfs/dbraw/zinc/34/61/73/398346173.db2.gz HTLPBRXXTWQSEG-LBPRGKRZSA-N 0 3 307.390 2.702 10 70 DFIEHN