smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCOC[C@H](O)C[NH2+]CC[NH2+]C[C@@H](O)COCCCCCCCC ZINC000104060144 557319911 /nfs/dbraw/zinc/31/99/11/557319911.db2.gz WAGUBPYJMQFXDY-DNQXCXABSA-N 2 2 432.690 3.642 40 30 IHEBLP CCCCCCCCOC[C@H](O)C[NH2+]CC[NH2+]C[C@H](O)COCCCCCCCC ZINC000104060134 557319836 /nfs/dbraw/zinc/31/98/36/557319836.db2.gz WAGUBPYJMQFXDY-PSWAGMNNSA-N 2 2 432.690 3.642 40 30 IHEBLP CCCCCCCCOC[C@@H](O)C[NH2+]CC[NH2+]C[C@H](O)COCCCCCCCC ZINC000104060141 557319919 /nfs/dbraw/zinc/31/99/19/557319919.db2.gz WAGUBPYJMQFXDY-ZEQRLZLVSA-N 2 2 432.690 3.642 40 30 IHEBLP