smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features NC(=O)NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Oc1c(F)c(F)c(F)c(F)c1F 71788202 QTVBCSPTKLECIJ-SFHVURJKSA-N 563.479 4.643 70 30 KJIC CS(=O)(=O)c1cc([N+](=O)[O-])ccc1/N=N/c1ccc2c(NS(=O)(=O)c3cccc(S(=O)(=O)F)c3)cccc2c1O 103844466 XLIIXVCJFYLNTH-OCEACIFDSA-N 608.607 4.732 70 30 KJIC C[SiH](C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[SiH](C)C 195809918 GCEPWHJTXMREAT-UHFFFAOYSA-N 505.102 4.562 70 30 KJIC