smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC[C@](C)(N=[N+]=[N-])c1ccc(F)cc1 536953084 HAPPGMNMHYTKTL-JTQLQIEISA-N 193.225 3.761 10 30 AHCC [N-]=[N+]=N[C@@H]1CCc2c(Cl)cccc21 958720351 VMACNSODEZCDIR-SECBINFHSA-N 193.637 3.638 10 30 AHCC [N-]=[N+]=N[C@@H]1CCc2cc(Cl)ccc21 521400001 NPBKYMVVVFANLE-SECBINFHSA-N 193.637 3.638 10 30 AHCC [N-]=[N+]=N[C@H]1CCc2c(Cl)cccc21 958720352 VMACNSODEZCDIR-VIFPVBQESA-N 193.637 3.638 10 30 AHCC CC(C)[C@@H]1CC[C@@H](C)C[C@H]1N=[N+]=[N-] 35606049 JWXCHQXAHQOURC-KXUCPTDWSA-N 181.283 3.758 10 30 AHCC C[C@@H](N=[N+]=[N-])c1ccccc1Cl 149907504 FQSQOBFYKBWRMN-ZCFIWIBFSA-N 181.626 3.711 10 30 AHCC in-vitro CC[C@@](C)(N=[N+]=[N-])c1ccc(F)cc1 536953099 HAPPGMNMHYTKTL-SNVBAGLBSA-N 193.225 3.761 10 30 AHCC Cc1ccc2c(c1)[C@H](N=[N+]=[N-])CCC2 238856632 WQSJULZJSLFSKN-LLVKDONJSA-N 187.246 3.683 10 30 AHCC in-vitro Cc1cc(F)ccc1[C@H](C)N=[N+]=[N-] 669371711 SCJMFBIKLONPHQ-ZETCQYMHSA-N 179.198 3.505 10 30 AHCC C[C@H](N=[N+]=[N-])c1ccccc1Cl 149907294 FQSQOBFYKBWRMN-LURJTMIESA-N 181.626 3.711 10 30 AHCC in-vitro CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1N=[N+]=[N-] 35606043 JWXCHQXAHQOURC-UTLUCORTSA-N 181.283 3.758 10 30 AHCC C[Si](C)(C)N=Nc1ccccc1 606521137 YIJCWHMUQPKHEP-UHFFFAOYSA-N 178.311 3.605 10 30 AHCC CC(C)[C@H]1CC[C@H](C)C[C@H]1N=[N+]=[N-] 35606046 JWXCHQXAHQOURC-IVZWLZJFSA-N 181.283 3.758 10 30 AHCC Cc1cc(F)ccc1[C@@H](C)N=[N+]=[N-] 669371710 SCJMFBIKLONPHQ-SSDOTTSWSA-N 179.198 3.505 10 30 AHCC Cc1ccc2c(c1)[C@@H](N=[N+]=[N-])CCC2 238856633 WQSJULZJSLFSKN-NSHDSACASA-N 187.246 3.683 10 30 AHCC in-vitro CC(C)[C@H]1CC[C@@H](C)C[C@H]1N=[N+]=[N-] 35606052 JWXCHQXAHQOURC-OPRDCNLKSA-N 181.283 3.758 10 30 AHCC