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+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc3ccc4cccnc4c3n1)CC2 ZINC001164793405 721492676 /nfs/dbraw/zinc/49/26/76/721492676.db2.gz RUOFRZNDWOOJJD-UHFFFAOYSA-N 1 0 423.564 5.059 20 5 HKBDRO Fc1cccc(C[N@@H+]2CC[C@@]23CCCN(c2ccc4ccc5cccnc5c4n2)C3)c1 ZINC001164994250 722196332 /nfs/dbraw/zinc/19/63/32/722196332.db2.gz MCEBOGQKWGEVFC-AREMUKBSSA-N 1 0 412.512 5.167 20 5 HKBDRO Fc1cccc(C[N@@H+]2CC[C@]23CCCN(c2ccc4ccc5cccnc5c4n2)C3)c1 ZINC001164994253 722196432 /nfs/dbraw/zinc/19/64/32/722196432.db2.gz MCEBOGQKWGEVFC-SANMLTNESA-N 1 0 412.512 5.167 20 5 HKBDRO