smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Oc1ccc(/N=N/c2ccccc2)c2ccccc12 100053323 CQYDCXNJLAOBIF-ISLYRVAYSA-N 248.285 4.961 10 50 BJCA Cc1ccc(O)c(/N=N/c2ccc(Cl)cc2)c1 18209556 QHVMKVYYTMSEJP-FOCLMDBBSA-N 246.697 4.769 10 50 BJCA COc1ccc(/N=N/c2ccccc2)c(Cl)c1 670423501 NGXFICDGYMXQGJ-FOCLMDBBSA-N 246.697 4.764 10 50 BJCA Cc1ccccc1/N=N/c1ccccc1C 18068172 LNXCQLYWNWAIRB-FOCLMDBBSA-N 210.280 4.719 10 50 BJCA Cn1cc(/N=N/c2ccccc2)c2ccccc21 4981614 ADYVEPBQHJUXJJ-WUKNDPDISA-N 235.290 4.594 10 50 BJCA Cc1cc(O)c(/N=N/c2ccccc2)cc1Cl 100164028 PLZWRFMDTAUQNH-FOCLMDBBSA-N 246.697 4.769 10 50 BJCA Oc1ccc2ccccc2c1N=Nc1ccccc1 12405012 MRQIXHXHHPWVIL-UHFFFAOYSA-N 248.285 4.961 10 50 BJCA biogenic COc1cccc(/N=N/c2ccc(C)cc2C)c1 390823044 QTYBLQVGJCBSSA-WUKNDPDISA-N 240.306 4.727 10 50 BJCA Nc1ccc(N=Nc2ccccc2)c2ccccc12 253989055 IICHURGZQPGTRD-UHFFFAOYSA-N 247.301 4.837 10 50 BJCA Nc1ccc(/N=N/c2ccccc2)c2ccccc12 12358863 IICHURGZQPGTRD-VHEBQXMUSA-N 247.301 4.837 10 50 BJCA in-vitro Cc1cccc(/N=N/c2cccc(C)c2)c1 18031710 HPSZIXYLILUGIP-FOCLMDBBSA-N 210.280 4.719 10 50 BJCA in-vitro Oc1ccc(/N=N/c2ccc3ccccc3c2)cc1 13118220 SDOPORHPKVAKOO-ISLYRVAYSA-N 248.285 4.961 10 50 BJCA CCc1ccc(/N=N/c2ccc(OC)cc2)cc1 5318380 YIVJAURHYRMMPV-WUKNDPDISA-N 240.306 4.673 10 50 BJCA Cc1ccc(/N=N/c2ccc(C)cc2)cc1 13410731 WNVWWDKUMKBZQV-FOCLMDBBSA-N 210.280 4.719 10 50 BJCA in-vitro Oc1ccc2ccccc2c1/N=N/c1ccccc1 3860848 MRQIXHXHHPWVIL-ISLYRVAYSA-N 248.285 4.961 10 50 BJCA in-vitro