smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CON=[N+](O)CN(O)N=[O+]C 225289526 168075342 /nfs/dbraw/zinc/07/53/42/168075342.db2.gz TZPAOOANBKQMDJ-UHFFFAOYSA-N 2 0 166.137 -0.226 50 10 ABCARP C[n+]1ccn(C(=O)n2cc[n+](C)c2)c1 2562352 169042701 /nfs/dbraw/zinc/04/27/01/169042701.db2.gz UUQQRCAHNSWMEC-UHFFFAOYSA-N 2 0 192.222 -0.545 50 10 in-vitro ABCARP