smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1c([O-])ccc2c([O-])csc12 306653249 573563603 /nfs/dbraw/zinc/56/36/03/573563603.db2.gz UUXMMBITMQQKIK-UHFFFAOYSA-N -2 1 191.211 2.184 10 30 AEEEML N#Cc1cc(O)c2sccc2c1O 306535782 573041041 /nfs/dbraw/zinc/04/10/41/573041041.db2.gz GNJNNCSXYUGJLK-UHFFFAOYSA-N -2 1 191.211 2.184 10 30 AEEEML N#Cc1cc2c([O-])csc2cc1[O-] 307027648 573113073 /nfs/dbraw/zinc/11/30/73/573113073.db2.gz CWODWRXNSOKTQD-UHFFFAOYSA-N -2 1 191.211 2.184 10 30 AEEEML N#Cc1cc([O-])c2c([O-])csc2c1 307128890 573892194 /nfs/dbraw/zinc/89/21/94/573892194.db2.gz PKOBDCPDLCEAGS-UHFFFAOYSA-N -2 1 191.211 2.184 10 30 AEEEML