smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCONC(=O)c1nc(=O)[nH][n-]1 306362811 572613450 /nfs/dbraw/zinc/61/34/50/572613450.db2.gz VAGCPGOSZOZIBN-UHFFFAOYSA-N -2 0 182.139 -1.607 20 30 AAEDRL C#CCO[N-]C(=O)COCC(=O)[O-] 379419189 971635306 /nfs/dbraw/zinc/63/53/06/971635306.db2.gz XMXCLLJKQKSAHX-UHFFFAOYSA-N -2 0 187.151 -1.231 20 30 AAEDRL