smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH2+]=C1C=CC(=[N+]2CCCCC2)C=C1 4826546 169143380 /nfs/dbraw/zinc/14/33/80/169143380.db2.gz ABKWGVGUGOOTOS-UHFFFAOYSA-N 2 0 175.255 1.770 50 10 ADCARP CC(C)=CC[n+]1ccc(CC[NH3+])cc1 95221236 351670203 /nfs/dbraw/zinc/67/02/03/351670203.db2.gz PFTFFYOXKFOLSX-UHFFFAOYSA-N 2 0 191.298 1.442 50 10 ADCARP