smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)(C)[Si](F)(CCC(=O)NCc1ccccc1)C(C)(C)C 210624492 NXRSKRBCYSDRKO-UHFFFAOYSA-N 323.528 5.208 70 1 DKIF C=C(Cl)/C(=C\Cl)CC[C@H](Br)C(C)(C)Cl 1638738 QEMLOZAQLNATSX-XZLDQRQTSA-N 320.485 5.423 70 1 DKIF C=C(Cl)/C(=C\Cl)CC[C@@H](Br)C(C)(C)Cl 1638736 QEMLOZAQLNATSX-JGAIRUGNSA-N 320.485 5.423 70 1 DKIF CC(C)(C)[Si](F)(CCCO[C@H]1CCCCO1)C(C)(C)C 210624314 BEDBQDBIQHKOMV-AWEZNQCLSA-N 304.522 5.435 70 1 DKIF C[C@H](Br)CCCCCCCCCCCCC(=O)O 32196485 WRTRWKSMUPMRHR-AWEZNQCLSA-N 321.299 5.536 70 1 DKIF biogenic C[C@@H](Br)CCCCCCCCCCCCC(=O)O 32196481 WRTRWKSMUPMRHR-CQSZACIVSA-N 321.299 5.536 70 1 DKIF biogenic CCCC/C=C\CCCCCCCCCCCC(=O)OCC 218551614 YSFNBYJLURIHST-FPLPWBNLSA-N 310.522 6.587 70 1 DKIF CC(C)(C)[Si](F)(CCCO[C@@H]1CCCCO1)C(C)(C)C 210624291 BEDBQDBIQHKOMV-CQSZACIVSA-N 304.522 5.435 70 1 DKIF