smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name OC[C@@H]1CCC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000218306390 343215834 /nfs/dbraw/zinc/21/58/34/343215834.db2.gz ZTSREBCMQWCTRO-CHWSQXEVSA-N 1 1 209.333 2.047 50 70 BEIAMO COC(C[N@H+]1CCC[C@H]1CC(C)C)OC ZINC000160756128 358433350 /nfs/dbraw/zinc/43/33/50/358433350.db2.gz JRPBZAHUZMDSMV-NSHDSACASA-N 1 1 215.337 2.116 50 70 BEIAMO O[C@H]1[C@@H]2CC[C@H]1C[N@H+](CCCc1ccccc1)C2 ZINC000217215943 183213366 /nfs/dbraw/zinc/21/33/66/183213366.db2.gz MNSAONVBUPKIOD-ZSHCYNCHSA-N 1 1 245.366 2.322 50 70 BEIAMO COC(C[N@H+]1CCC[C@@H]1CC(C)C)OC ZINC000160756249 358432840 /nfs/dbraw/zinc/43/28/40/358432840.db2.gz JRPBZAHUZMDSMV-LLVKDONJSA-N 1 1 215.337 2.116 50 70 BEIAMO