smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CC(C(=O)C[n+]1ccccc1)c1ccccc1 ZINC000028114515 181054157 /nfs/dbraw/zinc/05/41/57/181054157.db2.gz KNCJEVMFZORHIJ-CQSZACIVSA-N 1 3 237.282 1.851 40 30 BDEBHO CCNC(=[NH2+])NC(=N)Nc1ccc(C)cc1 ZINC000039110124 259312368 /nfs/dbraw/zinc/31/23/68/259312368.db2.gz HKNZEGSMGHLSRL-UHFFFAOYSA-N 1 3 219.292 1.075 40 30 BDEBHO N#CC(C(=O)C[n+]1ccccc1)c1ccccc1 ZINC000028114509 181062665 /nfs/dbraw/zinc/06/26/65/181062665.db2.gz KNCJEVMFZORHIJ-AWEZNQCLSA-N 1 3 237.282 1.851 40 30 BDEBHO