smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)NCCNc1ccc(NCCNC(C)=O)c2c1C(=O)c1c([O-])ccc(O)c1C2=O ZINC000031438823 563083306 /nfs/dbraw/zinc/08/33/06/563083306.db2.gz LNCJJXSRZVUNDL-UHFFFAOYSA-N -1 3 440.456 0.969 1 10 ICCFHM O=C(O[C@H]1[C@H](OCCc2ccc(O)c(O)c2)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccc([O-])cc1 ZINC000095913734 560056452 /nfs/dbraw/zinc/05/64/52/560056452.db2.gz FBFNBXHEVIRMBP-GQUPQBGVSA-N -1 3 436.413 0.027 1 10 biogenic,in-vitro ICCFHM