smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H]5ON=C(C(=O)N/N=C/c6ccc(Cl)cc6)[C@@H]45)[C@H]3C2=O)cc1OC 1857777378 CAPXRKXPGPCLOF-FQLCYGBESA-N 550.999 2.672 50 20 KFGD COc1ccc(CCN2C(=O)[C@H]3[C@H]4C[C@@H]([C@@H]5ON=C(C(=O)N/N=C/c6ccc(Cl)cc6)[C@@H]45)[C@H]3C2=O)cc1OC 1857777379 CAPXRKXPGPCLOF-IOPUGEJCSA-N 550.999 2.672 50 20 KFGD COc1ccc(CCN2C(=O)[C@H]3[C@H]4C[C@H]([C@H]3C2=O)[C@H]2ON=C(C(=O)N/N=C/c3ccc(Cl)cc3)[C@@H]42)cc1OC 1857777380 CAPXRKXPGPCLOF-SVTVGOJFSA-N 550.999 2.672 50 20 KFGD Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CBr)C(C)(C)C)cc1 2048532638 YJWUYJKFKGUQHL-LVCYWYKZSA-N 551.507 2.622 50 20 KFGD O=C(ON1C(=O)CCC1=O)c1ccccc1SSc1ccccc1C(=O)ON1C(=O)CCC1=O 168765736 NCSHNOJXNRCQKG-UHFFFAOYSA-N 500.510 2.928 50 20 KFGD COc1ccc(CCN2C(=O)[C@@H]3[C@H]4C[C@@H]([C@@H]5ON=C(C(=O)N/N=C/c6ccc(Cl)cc6)[C@H]54)[C@H]3C2=O)cc1OC 1857777381 CAPXRKXPGPCLOF-UUJYXUCSSA-N 550.999 2.672 50 20 KFGD