smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CC[C@H](CCCCCC[N+](C)(C)C)[N@H+]1C ZINC000033852493 717121957 /nfs/dbraw/zinc/12/19/57/717121957.db2.gz LRULWHWVKCBLMQ-CABCVRRESA-N 2 1 241.443 3.126 10 5 BGBEMP C[C@H]1CC[C@H](CCCCCC[N+](C)(C)C)[N@H+]1C ZINC000033852494 717121837 /nfs/dbraw/zinc/12/18/37/717121837.db2.gz LRULWHWVKCBLMQ-GJZGRUSLSA-N 2 1 241.443 3.126 10 5 BGBEMP C[C@@H]1CC[C@@H](CCCCCC[N+](C)(C)C)[N@H+]1C ZINC000033852495 717122183 /nfs/dbraw/zinc/12/21/83/717122183.db2.gz LRULWHWVKCBLMQ-HUUCEWRRSA-N 2 1 241.443 3.126 10 5 BGBEMP C[C@H]1CC[C@@H](CCCCCC[N+](C)(C)C)[N@H+]1C ZINC000033852496 717122213 /nfs/dbraw/zinc/12/22/13/717122213.db2.gz LRULWHWVKCBLMQ-LSDHHAIUSA-N 2 1 241.443 3.126 10 5 BGBEMP