smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(/C=N\N(C)CCN(C)/[NH+]=C\c2ccc(N(C)C)cc2)cc1 ZINC000004530015 570381974 /nfs/dbraw/zinc/38/19/74/570381974.db2.gz AXMSBPGDLMGFGN-BOYKQRMESA-N 1 3 380.540 3.050 40 30 GGEBHO