smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [O-]c1ccc2ccccc2c1C[NH+]1CCCCC1 ZINC000000129274 183284525 /nfs/dbraw/zinc/28/45/25/183284525.db2.gz WFZSFSMELSBBJO-UHFFFAOYSA-N 0 1 241.334 3.531 50 10 BHCAMN [O-]c1c(C[NH+]2CCCCC2)ccc2ccccc21 ZINC000000158003 183253473 /nfs/dbraw/zinc/25/34/73/183253473.db2.gz LYBPBRBKERCUNO-UHFFFAOYSA-N 0 1 241.334 3.531 50 10 BHCAMN CCCC[N@@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000002472032 343138872 /nfs/dbraw/zinc/13/88/72/343138872.db2.gz GKCZVBZHDHBWJF-UHFFFAOYSA-N 0 1 243.350 3.777 50 10 BHCAMN CCCC[N@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000002472032 343138869 /nfs/dbraw/zinc/13/88/69/343138869.db2.gz GKCZVBZHDHBWJF-UHFFFAOYSA-N 0 1 243.350 3.777 50 10 BHCAMN [O-]c1ccc2ccccc2c1C[NH2+]C1CCCC1 ZINC000019883380 183285044 /nfs/dbraw/zinc/28/50/44/183285044.db2.gz PLWZXGPLMKKELG-UHFFFAOYSA-N 0 1 241.334 3.578 50 10 BHCAMN O=C1C=CC(=NNc2ccc3nc[nH]c3c2)C=C1 ZINC000096191715 183267126 /nfs/dbraw/zinc/26/71/26/183267126.db2.gz WHDCTGTUAPTVHK-WUKNDPDISA-N 0 1 238.250 3.684 50 10 BHCAMN