smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNc1cc([C@@H](C)[N@@H+](C)Cc2ccccc2)ccc1C ZINC000218318970 566844767 /nfs/dbraw/zinc/84/47/67/566844767.db2.gz CRHAHSCZPKXJEI-OAHLLOKOSA-N 1 1 268.404 4.230 40 70 CIIBMO O=C(C[C@@H]1CCCCC[N@H+]1Cc1ccccc1)c1ccco1 ZINC000217462210 567170485 /nfs/dbraw/zinc/17/04/85/567170485.db2.gz OCODLUKCFAWMHQ-KRWDZBQOSA-N 1 1 297.398 4.297 40 70 CIIBMO O=C(C[C@H]1CCCCC[N@H+]1Cc1ccccc1)c1ccco1 ZINC000217462286 567170190 /nfs/dbraw/zinc/17/01/90/567170190.db2.gz OCODLUKCFAWMHQ-QGZVFWFLSA-N 1 1 297.398 4.297 40 70 CIIBMO CNc1cc([C@H](C)[N@@H+](C)Cc2ccccc2)ccc1C ZINC000218319052 130768596 /nfs/dbraw/zinc/76/85/96/130768596.db2.gz CRHAHSCZPKXJEI-HNNXBMFYSA-N 1 1 268.404 4.230 40 70 CIIBMO