smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCN(CCOC)Cc1oc2ccccc2c1C ZINC000218580626 567948021 /nfs/dbraw/zinc/94/80/21/567948021.db2.gz ASIPOTJWEDVSSM-UHFFFAOYSA-N 0 3 261.365 3.600 50 70 CHIAHN CN(C)Cc1csc(CN2CCC[C@@H]2c2ccco2)c1 ZINC000218224151 570308546 /nfs/dbraw/zinc/30/85/46/570308546.db2.gz YPKGGCPOZSMYSQ-OAHLLOKOSA-N 0 3 290.432 3.740 50 70 CHIAHN C[C@H](C(=O)c1c[nH]c2ccccc12)N1C[C@H](C)C[C@@H](C)C1 ZINC000217466064 570307949 /nfs/dbraw/zinc/30/79/49/570307949.db2.gz BMYNOEXNAKSRKS-MGPQQGTHSA-N 0 3 284.403 3.717 50 70 CHIAHN C[C@H](C(=O)c1c[nH]c2ccccc12)N1C[C@H](C)C[C@H](C)C1 ZINC000217466164 570307965 /nfs/dbraw/zinc/30/79/65/570307965.db2.gz BMYNOEXNAKSRKS-HZSPNIEDSA-N 0 3 284.403 3.717 50 70 CHIAHN CN(C)Cc1csc(CN2CCC[C@H]2c2ccco2)c1 ZINC000218224208 570308485 /nfs/dbraw/zinc/30/84/85/570308485.db2.gz YPKGGCPOZSMYSQ-HNNXBMFYSA-N 0 3 290.432 3.740 50 70 CHIAHN CN(Cc1ccco1)Cc1cc(CN2CCCC2)cs1 ZINC000218245651 570308659 /nfs/dbraw/zinc/30/86/59/570308659.db2.gz OTYZMQKNNVCGSC-UHFFFAOYSA-N 0 3 290.432 3.569 50 70 CHIAHN