smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1ccc(CN2CCC[C@@]3(CCN(C(=O)CN4CC(=O)[O+]=N4)C3)C2)cc1 ZINC000015074598 570878403 /nfs/dbraw/zinc/87/84/03/570878403.db2.gz SCILVCAWLWZVAS-JOCHJYFZSA-O 1 3 399.515 2.306 50 30 GEEAHO CN1C[C@H]2[C@@H](C1)[C@@H](c1ccc(C#CCCO)cc1)[NH2+][C@]2(CO)c1ccccc1 ZINC000065492037 571001134 /nfs/dbraw/zinc/00/11/34/571001134.db2.gz ZXWMNGAJPCDWTQ-UEQSERJNSA-N 1 3 376.500 2.130 50 30 GEEAHO CC(C)c1ccc(CN2CCC[C@]3(CCN(C(=O)CN4CC(=O)[O+]=N4)C3)C2)cc1 ZINC000015074599 570878396 /nfs/dbraw/zinc/87/83/96/570878396.db2.gz SCILVCAWLWZVAS-QFIPXVFZSA-O 1 3 399.515 2.306 50 30 GEEAHO