smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CCOCC[NH3+])CCOCC[NH3+] ZINC000060256264 411434292 /nfs/dbraw/zinc/43/42/92/411434292.db2.gz MWACIQXSGAWGGN-UHFFFAOYSA-N 2 3 205.302 -1.131 20 0 BAADHP CN(CCOCC[NH3+])CCN1CC[NH2+]CC1 ZINC000647835883 385880930 /nfs/dbraw/zinc/88/09/30/385880930.db2.gz SVEGNHMMIWDYFF-UHFFFAOYSA-N 2 3 230.356 -1.201 20 0 BAADHP