smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features [N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F 1857792680 AATGWHBZQXFXCJ-UHFFFAOYSA-N 589.511 3.104 70 20 KGID O=C(CO[C@H]1C#CCCCCC1)NCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F 725428526 BJXGYKFSMHFFJU-LJQANCHMSA-N 595.558 3.213 70 20 KGID O=C(CO[C@@H]1C#CCCCCC1)NCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F 725428525 BJXGYKFSMHFFJU-IBGZPJMESA-N 595.558 3.213 70 20 KGID O=C(CO[C@H]1C#CCCCCC1)NCCOCCOCCOCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F 888087858 DKTLBPSOKZMVRO-QGZVFWFLSA-N 551.505 3.196 70 20 KGID O=C(CO[C@@H]1C#CCCCCC1)NCCOCCOCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F 1857792352 NXWUCOZPGDXYSX-HNNXBMFYSA-N 507.452 3.180 70 20 KGID O=C(CO[C@H]1C#CCCCCC1)NCCOCCOCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F 1857792353 NXWUCOZPGDXYSX-OAHLLOKOSA-N 507.452 3.180 70 20 KGID N#CC#Cc1ccc(C(=O)NCCOCCOCCOCCOCCC(=O)Oc2c(F)c(F)c(F)c(F)c2F)cc1 1857792144 LJUFEZHPHAXCIC-UHFFFAOYSA-N 584.494 3.049 70 20 KGID O=C(CO[C@@H]1C#CCCCCC1)NCCOCCOCCOCCC(=O)Oc1c(F)c(F)c(F)c(F)c1F 888087857 DKTLBPSOKZMVRO-KRWDZBQOSA-N 551.505 3.196 70 20 KGID