smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features NS(=O)(=O)c1ccc(CCOS(=O)(=O)C(F)(F)F)cc1 34718083 DYWZRQNCLHJMFF-UHFFFAOYSA-N 333.309 0.743 70 1 ECIF Cc1cc(=O)n(C)c2c1C(=O)c1c(C)cc(=O)n3c1[C@@]2(O)C[C@]3(C)O 217626064 SYJMTTDAMXRJRO-ZWKOTPCHSA-N 342.351 0.013 70 1 ECIF N=c1cc(OCCNC(=O)c2ccc(S(=O)(=O)F)cc2)cc[nH]1 1857759747 NACBDQGNOSECCI-UHFFFAOYSA-N 339.348 0.961 70 1 ECIF O=C1c2ccccc2C(=O)N1CCCOc1ccc2c(c1)B(O)OC2 195409630 JISCNVXRPVRBFO-UHFFFAOYSA-N 337.140 0.969 70 1 ECIF O=c1c2c(n(C3CC3)c3cc(N4CCNCC4)c(F)cc13)COB2O 205387861 LNDPSEQSJYEYDA-UHFFFAOYSA-N 343.167 0.103 70 1 ECIF