smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC[n+]1cccc([C@@H]2CCC[N@@H+]2C)c1 ZINC000042922995 187948322 /nfs/dbraw/zinc/94/83/22/187948322.db2.gz PPXAZJZURJHVMV-AWEZNQCLSA-N 2 0 219.352 2.541 1 0 BFAFRP CC(C)[NH+]1CC2C[NH+](C(C)C)CC(C1)C2(C)C ZINC000026980994 188283427 /nfs/dbraw/zinc/28/34/27/188283427.db2.gz NSVHXPLSFRYSRA-UHFFFAOYSA-N 2 0 238.419 2.693 1 0 BFAFRP