smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C1=C(c2cccs2)C2CC[NH+]1CC2 17166 166074372 /nfs/dbraw/zinc/07/43/72/166074372.db2.gz BYOZMAAKKNZOCN-UHFFFAOYSA-N 1 1 191.299 2.815 1 0 AFAFMO C[N@H+]1CCC12C1CC3CC(C1)CC2C3 28900972 171048049 /nfs/dbraw/zinc/04/80/49/171048049.db2.gz YPKKKPLBTZCCMU-UHFFFAOYSA-N 1 1 191.318 2.517 1 0 AFAFMO C[N@H+]1CCC23C[C@@H]4CC(C[C@@H](C4)C2)[C@@H]13 169292095 171165310 /nfs/dbraw/zinc/16/53/10/171165310.db2.gz YLLZAPJMOSMNFZ-IJLVLRJLSA-N 1 1 191.318 2.517 1 0 AFAFMO