smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=c1[nH]c(C[N@@H+](Cc2ccco2)C2CCCC2)nc2c3ccccc3oc21 ZINC000053139772 206233595 /nfs/dbraw/zinc/23/35/95/206233595.db2.gz BNYYAFNQQIRPGK-UHFFFAOYSA-N -1 2 363.417 4.619 50 0 FJAALM O=C([O-])c1ccccc1-c1oc2cc(O)ccc2c(=O)c1Oc1ccccc1 ZINC000019703085 220285760 /nfs/dbraw/zinc/28/57/60/220285760.db2.gz IBYUHMKVRXMUFS-UHFFFAOYSA-N -1 2 374.348 4.656 50 0 FJAALM