smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N+](C)(C)CCCCCCC[N+](C)(C)CC ZINC000001998823 717091558 /nfs/dbraw/zinc/09/15/58/717091558.db2.gz RLVHUHZONHQRPX-UHFFFAOYSA-N 2 0 244.467 3.130 10 5 BGBERP C[C@@H]1CC[C@H](CCCCCC[N+](C)(C)C)[N@@H+]1C ZINC000033852493 717121953 /nfs/dbraw/zinc/12/19/53/717121953.db2.gz LRULWHWVKCBLMQ-CABCVRRESA-N 2 0 241.443 3.126 10 5 BGBERP C[C@H]1CC[C@H](CCCCCC[N+](C)(C)C)[N@@H+]1C ZINC000033852494 717121835 /nfs/dbraw/zinc/12/18/35/717121835.db2.gz LRULWHWVKCBLMQ-GJZGRUSLSA-N 2 0 241.443 3.126 10 5 BGBERP C[C@@H]1CC[C@@H](CCCCCC[N+](C)(C)C)[N@@H+]1C ZINC000033852495 717122181 /nfs/dbraw/zinc/12/21/81/717122181.db2.gz LRULWHWVKCBLMQ-HUUCEWRRSA-N 2 0 241.443 3.126 10 5 BGBERP C[C@H]1CC[C@@H](CCCCCC[N+](C)(C)C)[N@@H+]1C ZINC000033852496 717122212 /nfs/dbraw/zinc/12/22/12/717122212.db2.gz LRULWHWVKCBLMQ-LSDHHAIUSA-N 2 0 241.443 3.126 10 5 BGBERP