smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1c2ccccc2cc2oc3ccccc3c12 200265920 LZTJEJYXRXRBSJ-UHFFFAOYSA-N 232.282 5.048 5 30 BKBC c1ccc2cc3cc4sccc4cc3cc2c1 2015752 QOOSFVFWJXNCTP-UHFFFAOYSA-N 234.323 5.208 5 30 BKBC c1ccc2cc3c(cc2c1)c1c(c2ccccc23)O1 33649210 ZAPZRSTXADAUHS-UHFFFAOYSA-N 242.277 5.252 5 30 BKBC c1ccc2c(c1)ccc1cc3ccsc3cc12 6118428 BKDNKFGDTSYPHA-UHFFFAOYSA-N 234.323 5.208 5 30 BKBC Fc1c2ccccc2cc2c1ccc1ccccc12 90557804 DEIJZCZECHSONL-UHFFFAOYSA-N 246.284 5.285 5 30 BKBC C=Cc1ccc2ccc3cccc4ccc1c2c34 2143351 WPMHMYHJGDAHKX-UHFFFAOYSA-N 228.294 5.227 5 30 BKBC Cc1ccc2cc3c(cc2c1)sc1ccccc13 2539114 AHDCOIWBTWIVLJ-UHFFFAOYSA-N 248.350 5.516 5 30 BKBC