smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#C[C@@H]1CN[C@H]([NH3+])N[C@@H]1N 19319681 169108727 /nfs/dbraw/zinc/10/87/27/169108727.db2.gz QMLSMSICNBXNLJ-WISUUJSJSA-N 1 2 141.178 -2.154 1 30 AAEFLO N#C[C@H]1CN[C@H]([NH3+])N[C@@H]1N 19322694 169113111 /nfs/dbraw/zinc/11/31/11/169113111.db2.gz QMLSMSICNBXNLJ-YUPRTTJUSA-N 1 2 141.178 -2.154 1 30 AAEFLO