smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1C=C(O)C=CC1=NNc1ccccc1 ZINC000012405049 350531722 /nfs/dbraw/zinc/53/17/22/350531722.db2.gz BPTKLSBRRJFNHJ-UHFFFAOYSA-N 0 2 214.224 3.513 10 10 BHCELN Oc1csc2ccc3ccccc3c12 ZINC000103847998 183305444 /nfs/dbraw/zinc/30/54/44/183305444.db2.gz BNJIPQODGVBLQG-UHFFFAOYSA-N 0 2 200.262 3.760 10 10 BHCELN Oc1csc2c1c(Cl)ccc2Cl ZINC000137482350 183305827 /nfs/dbraw/zinc/30/58/27/183305827.db2.gz GGBKVZJKCHBIST-UHFFFAOYSA-N 0 2 219.092 3.914 10 10 BHCELN