smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1CC(=O)c2c(Cl)cccc21 105335660 169368477 /nfs/dbraw/zinc/36/84/77/169368477.db2.gz BKCBGWAJWAOXMW-UHFFFAOYSA-N 0 2 180.590 2.109 50 10 AECALN Cc1ccc(N=[NH2+])c(C(=O)[O-])c1 4787000 342995775 /nfs/dbraw/zinc/99/57/75/342995775.db2.gz VXIUAHGLLJUOTR-UHFFFAOYSA-N 0 2 164.164 2.356 50 10 AECALN