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[NH+]2CCC([NH2+][C@@H]3C[C@H]4CC[C@]3(C)C4(C)C)CC2)cc1 ZINC000040892029 208274360 /nfs/dbraw/zinc/27/43/60/208274360.db2.gz YIPNKKSJZLSJCZ-CKUXNOBLSA-N 2 1 369.597 4.521 1 10 FJCFMP