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+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261731835 658925684 /nfs/dbraw/zinc/92/56/84/658925684.db2.gz JOPXLTCCJPGJSM-GUYCJALGSA-N 2 0 350.467 -0.034 10 30 FBEERP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261731836 658925784 /nfs/dbraw/zinc/92/57/84/658925784.db2.gz JOPXLTCCJPGJSM-SUMWQHHRSA-N 2 0 350.467 -0.034 10 30 FBEERP