smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]C1CC[N+](CCc2ccccc2)(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000725444560 717188706 /nfs/dbraw/zinc/18/87/06/717188706.db2.gz ITMLIVVDQUPRQQ-UHFFFAOYSA-N 2 0 363.447 4.386 10 5 FIBERP CN1c2ccccc2SC1=CC=Cc1cc[n+](CCC[N+](C)(C)C)cc1 ZINC000095913167 209087055 /nfs/dbraw/zinc/08/70/55/209087055.db2.gz XYXUJYWTWBESCI-UHFFFAOYSA-N 2 0 367.562 4.105 10 5 FIBERP