smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features c1ccc(N=Nc2cccc3ccccc23)cc1 254628722 FDWBUGCBGXWJLC-UHFFFAOYSA-N 232.286 5.255 10 50 BKCA Cc1ccccc1/N=N/c1ccc([N+]#N)c(C)c1 18068850 NAAZRWOXBIIYRD-ISLYRVAYSA-N 237.286 5.203 10 50 BKCA Cc1ccc(/N=N/c2ccccc2Cl)cc1 5362952 IVTBQKWOALDSRQ-FOCLMDBBSA-N 230.698 5.064 10 50 BKCA Cc1ccccc1N=Nc1ccc([N+]#N)c(C)c1 256090293 NAAZRWOXBIIYRD-UHFFFAOYSA-N 237.286 5.203 10 50 BKCA