smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc2c(cc1OC)C[N@@+](C)(CCCCCc1cccc(OC)[n+]1C)CC2 ZINC000299844631 717181507 /nfs/dbraw/zinc/18/15/07/717181507.db2.gz MBZYGGWJVSHAQB-SANMLTNESA-N 2 0 400.563 3.453 1 5 HGBFRP COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@@]31CC[N@@H+](CCCCCC[N+](C)(C)C)C2 ZINC000014947224 717111262 /nfs/dbraw/zinc/11/12/62/717111262.db2.gz GHZVENSMPZIZCE-XTJBDQBJSA-N 2 0 415.598 3.487 1 5 HGBFRP COc1cc2c(cc1OC)C[N@+](C)(CCCCCc1cccc(OC)[n+]1C)CC2 ZINC000299844630 717181538 /nfs/dbraw/zinc/18/15/38/717181538.db2.gz MBZYGGWJVSHAQB-AREMUKBSSA-N 2 0 400.563 3.453 1 5 HGBFRP