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+](CCO)Cc1ccc2oc3cc(Cl)ccc3c(=O)c2c1 ZINC000040877082 183145230 /nfs/dbraw/zinc/14/52/30/183145230.db2.gz UBIMBKBRKARNSX-UHFFFAOYSA-N 1 1 317.772 3.024 1 5 DGBFMO C[N@@H+](CCO)Cc1ccc2oc3cc(Cl)ccc3c(=O)c2c1 ZINC000040877082 183145233 /nfs/dbraw/zinc/14/52/33/183145233.db2.gz UBIMBKBRKARNSX-UHFFFAOYSA-N 1 1 317.772 3.024 1 5 DGBFMO c1ccc2c(c1)[nH]c1c2nc2ccccc2c1N1CC[NH2+]CC1 ZINC000095580366 185381246 /nfs/dbraw/zinc/38/12/46/185381246.db2.gz RAAJVQUHQNLMOP-UHFFFAOYSA-N 1 1 302.381 3.279 1 5 DGBFMO