smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+](Cc1ccccc1)Cc1c(O)ccc2c3c(c(=O)oc21)CCC3 ZINC000000122782 206372067 /nfs/dbraw/zinc/37/20/67/206372067.db2.gz KRCRLEJHLWTLDE-UHFFFAOYSA-N -1 2 335.403 3.619 50 10 biogenic EHCALM CC1=NN(c2ccc(C)c(C)c2)C(=O)C1C=Nc1ccccc1C(=O)[O-] ZINC000005334185 564002702 /nfs/dbraw/zinc/00/27/02/564002702.db2.gz MMQCQXLMJPBULI-BOPFTXTBSA-N -1 2 349.390 3.720 50 10 EHCALM