smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(Cc2cc(C[NH2+][C@@H]3CCC(=O)N[C@H]3c3cc(F)cc(F)c3)ccc2O)CC1 ZINC000019590064 556825012 /nfs/dbraw/zinc/82/50/12/556825012.db2.gz CKEABFMGBKBPOW-QPPBQGQZSA-N 2 1 444.526 2.527 40 10 IFCBMP O=C1CC[C@@H]([NH2+]Cc2ccc(O)c(C[NH+]3CCOCC3)c2)[C@H](c2cc(F)cc(F)c2)N1 ZINC000019293001 556732462 /nfs/dbraw/zinc/73/24/62/556732462.db2.gz NTZKSHNWHNRISJ-OFNKIYASSA-N 2 1 431.483 2.612 40 10 IFCBMP