smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name S=C(CNCc1ccccc1)C1CCCC1 ZINC000028107678 187256031 /nfs/dbraw/zinc/25/60/31/187256031.db2.gz BTGVTXPJCQOOSL-UHFFFAOYSA-N 0 3 233.380 3.336 1 10 BGCFHN Cc1cc([O-])c(C[NH2+]C2CCCCC2)cc1C ZINC000045226793 178197329 /nfs/dbraw/zinc/19/73/29/178197329.db2.gz LWDYHGXBSGASTO-UHFFFAOYSA-N 0 3 233.355 3.431 1 10 BGCFHN