smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+]1Cc2c(O)cccc2[C@@H](c2ccccc2)C1 ZINC000095563112 173199854 /nfs/dbraw/zinc/19/98/54/173199854.db2.gz AUOGWJKRNSZLMZ-CQSZACIVSA-N 1 1 239.318 2.970 1 10 BFCFMO COc1ccc(N=Nc2ccc(N)[nH+]c2N)cc1 ZINC000253995378 187233871 /nfs/dbraw/zinc/23/38/71/187233871.db2.gz ZYFQLPWMMMZNRY-UHFFFAOYSA-N 1 1 243.270 2.670 3 10 BFCFMO C[N@@H+]1Cc2c(O)cccc2[C@H](c2ccccc2)C1 ZINC000095563111 173199882 /nfs/dbraw/zinc/19/98/82/173199882.db2.gz AUOGWJKRNSZLMZ-AWEZNQCLSA-N 1 1 239.318 2.970 1 10 BFCFMO CC(C)[N@@H+](C)C[C@H]1CCCc2cc(O)c(O)cc21 ZINC000027870501 188110249 /nfs/dbraw/zinc/11/02/49/188110249.db2.gz TYCIMICTULFILN-GFCCVEGCSA-N 1 1 249.354 2.858 1 10 BFCFMO Cc1ccc[nH+]c1NCc1cccc(F)c1O ZINC000083358650 643439372 /nfs/dbraw/zinc/43/93/72/643439372.db2.gz MHNSGDXORMITBH-UHFFFAOYSA-N 1 1 232.258 2.847 1 10 BFCFMO