smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C/C=C/C[C@@]1(C)SC(O)=C(C)C1=O 101405760 166062592 /nfs/dbraw/zinc/06/25/92/166062592.db2.gz BBAVZRRTMOZCOC-ORAHPGNNSA-N 0 2 198.287 2.817 1 30 AFEFLN C/C=C/C[C@]1(C)SC(O)=C(C)C1=O 101405764 166063046 /nfs/dbraw/zinc/06/30/46/166063046.db2.gz BBAVZRRTMOZCOC-YEZKRMTDSA-N 0 2 198.287 2.817 1 30 AFEFLN C=C/C(C)=C/[C@@]1(C)SC(O)=CC1=O 101005438 166142501 /nfs/dbraw/zinc/14/25/01/166142501.db2.gz XLAMKVCDHGOEET-VQCYPWCPSA-N 0 2 196.271 2.593 1 30 AFEFLN