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(CN[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3n2cc(COc3ccccc3)nn2)cc1 ZINC000005396717 291332795 /nfs/dbraw/zinc/33/27/95/291332795.db2.gz BRWFQOMZORLZPP-CJRSTVEYSA-N 0 3 435.528 2.420 10 10 IECEHN