smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(=O)N[C@@H](CSc1nc2c(O)nc(=N)[nH]c2n1[C@@H]1O[C@@H]2CO[P@](=O)(O)O[C@@H]2[C@@H]1O)C(=O)NCCOCCOCCOCCOCCOCCCCCCCl 2048527550 FDOKYSQWSIEUBX-JUBKDOJKSA-N 844.278 0.314 50 20 KCGD Cc1c(CC(=O)NCCSSCCCC(=O)ON2C(=O)C[C@@H](S(=O)(=O)O)C2=O)oc(=O)c2cc(N)ccc12 514278346 GPHAKSOVTLYNNR-QGZVFWFLSA-N 587.654 0.977 50 20 KCGD Cc1c(CC(=O)NCCSSCCCC(=O)ON2C(=O)C[C@H](S(=O)(=O)O)C2=O)oc(=O)c2cc(N)ccc12 514278345 GPHAKSOVTLYNNR-KRWDZBQOSA-N 587.654 0.977 50 20 KCGD CC(=O)N[C@@H](CSc1nc2c(O)nc(=N)[nH]c2n1[C@@H]1O[C@@H]2CO[P@](=O)(O)O[C@@H]2[C@H]1O)C(=O)NCCOCCOCCOCCOCCOCCCCCCCl 2048527551 FDOKYSQWSIEUBX-KQGARQSGSA-N 844.278 0.314 50 20 KCGD CC(=NNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1ccc(S(=O)(=O)N2CCNCC2)cc1 916334638 OKJQGYGPCLDVET-UHFFFAOYSA-N 500.002 0.735 50 20 KCGD