smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1NC(=O)C(=CNc2ccccn2)C(=O)N1 ZINC000004561097 342894441 /nfs/dbraw/zinc/89/44/41/342894441.db2.gz WSYYULRFMSYQFZ-UHFFFAOYSA-N 0 2 232.199 -0.257 50 10 BBCALN O=C1NC(=O)C(=CNNc2ccccc2)C(=O)N1 ZINC000005607410 342767120 /nfs/dbraw/zinc/76/71/20/342767120.db2.gz FOZNHRZRMTXLMB-UHFFFAOYSA-N 0 2 246.226 -0.147 50 10 BBCALN O=C1NC(=O)NC(c2ccc(O)c(O)c2O)N1 ZINC000006668374 349640516 /nfs/dbraw/zinc/64/05/16/349640516.db2.gz HJFDHRYSNLYFJC-UHFFFAOYSA-N 0 2 239.187 -0.176 50 10 BBCALN Nc1nonc1N=NNc1nonc1N ZINC000015938951 397867549 /nfs/dbraw/zinc/86/75/49/397867549.db2.gz LDIGKVBUQYDOJJ-UHFFFAOYSA-N 0 2 211.145 -0.272 50 10 BBCALN Nc1nonc1N=[NH+][N-]c1nonc1N ZINC000015938951 397867548 /nfs/dbraw/zinc/86/75/48/397867548.db2.gz LDIGKVBUQYDOJJ-UHFFFAOYSA-N 0 2 211.145 -0.272 50 10 BBCALN