smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1 97976205 KASPMKDZPNDAJV-UHFFFAOYSA-N 332.383 3.762 70 30 EHIC O=S(=O)(Cl)c1csnc1-c1cccc(C(F)(F)F)c1 328579632 SQPDZDJULXCAFM-UHFFFAOYSA-N 327.736 3.756 70 30 EHIC O=S(=O)(Cl)c1cnc(-c2ccc(Br)cc2)s1 2265385654 XQUUHUNRAZPYBA-UHFFFAOYSA-N 338.635 3.500 70 30 EHIC CC(C)c1cc(S(=O)(=O)Cl)ccc1OCCOC(F)(F)F 91294758 FKRRGMHNEFIRBA-UHFFFAOYSA-N 346.754 3.653 70 30 EHIC O=S(=O)(Cl)c1ccc(OCc2ccccc2)c2ncccc12 106366530 AUDWAMZRFOGIRV-UHFFFAOYSA-N 333.796 3.741 70 30 EHIC O=S(=O)(Cl)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1535542756 XLDCXSQWDHVGPF-UHFFFAOYSA-N 344.635 3.904 70 30 EHIC O=S(=O)(Cl)c1cnc2c(Br)cccc2c1Cl 390365877 VHTPDVSEZSOONR-UHFFFAOYSA-N 341.013 3.578 70 30 EHIC O=S(=O)(Cl)c1csc(-c2cccc(Br)c2)n1 100623447 BXKOWLYZLDNJAH-UHFFFAOYSA-N 338.635 3.500 70 30 EHIC in-vitro O=S(=O)(Cl)c1ccc(Br)c(F)c1C(F)(F)F 230547802 YCJVUFJLQKRZCZ-UHFFFAOYSA-N 341.507 3.535 70 30 EHIC