smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[NH2+]CCOc1ccc2cc3ccc(OCC[NH2+]CCC)cc3[nH+]c2c1 ZINC000029414886 207363101 /nfs/dbraw/zinc/36/31/01/207363101.db2.gz YQESOVRNNWSFQM-UHFFFAOYSA-N 3 2 381.520 4.145 10 5 GIBELP COc1ccc(C[NH+](CC[N+]2(C)CCCCC2)Cc2ccc(OC)cc2)cc1 ZINC000033638910 209244653 /nfs/dbraw/zinc/24/46/53/209244653.db2.gz UIHVMXWVDVYVKS-UHFFFAOYSA-N 2 2 383.556 4.337 10 5 GIBELP