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@@]1(C)SC(=O)C(C)=C1O 101124269 166064532 /nfs/dbraw/zinc/06/45/32/166064532.db2.gz AIYZYVOEVDBZRS-XNPJLODASA-N 0 2 184.260 2.427 1 30 AEEFLN C/C=C/[C@]1(C)SC(=O)C(C)=C1O 101451571 166067149 /nfs/dbraw/zinc/06/71/49/166067149.db2.gz AIYZYVOEVDBZRS-MOVJSRMASA-N 0 2 184.260 2.427 1 30 AEEFLN C=C[C@]1(C)SC(=O)C(C)=C1O 101124266 166222123 /nfs/dbraw/zinc/22/21/23/166222123.db2.gz MFDQNGORLCIWFD-QMMMGPOBSA-N 0 2 170.233 2.037 1 30 AEEFLN CCCC1=C(O)S[C@@H](C)C1=O 101032702 166839642 /nfs/dbraw/zinc/83/96/42/166839642.db2.gz ZFRLWZOHXIMRNA-YFKPBYRVSA-N 0 2 172.249 2.261 1 30 AEEFLN C=C[C@@]1(C)SC(=O)C(C)=C1O 101442548 171145668 /nfs/dbraw/zinc/14/56/68/171145668.db2.gz MFDQNGORLCIWFD-MRVPVSSYSA-N 0 2 170.233 2.037 1 30 AEEFLN