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@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H]([NH+]5CCCCC5)C[C@]34C)[C@H]1C[C@H]([N+]1(C)CCCCC1)[C@@H]2O ZINC000256367749 717176794 /nfs/dbraw/zinc/17/67/94/717176794.db2.gz AJLKWPOGMPDMRQ-CNXKGCCYSA-N 2 0 473.766 4.824 10 5 JJBERP C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H]([NH+]5CCCCC5)C[C@@]43C)[C@H]1C[C@H]([N+]1(C)CCCCC1)[C@@H]2O ZINC000256367754 717176827 /nfs/dbraw/zinc/17/68/27/717176827.db2.gz AJLKWPOGMPDMRQ-YVULMFQPSA-N 2 0 473.766 4.824 10 5 JJBERP