smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC1(C)CCC(C[B-](F)(F)F)CC1 299804070 WRMBIDMFUOOCGK-UHFFFAOYSA-N 193.041 4.050 70 30 AIIC CC(C)CB(CC(C)C)CC(C)C 195763205 XDSSGQHOYWGIKC-UHFFFAOYSA-N 182.160 4.449 70 30 AIIC CCCCB1C2CCCC1CCC2 195767922 KTZPWRVDIHPOGI-UHFFFAOYSA-N 178.128 4.390 70 30 AIIC CCCC[Si](C)(Cl)CCCC 195763146 BWRNKYALSQGWSW-UHFFFAOYSA-N 192.806 4.401 70 30 AIIC CC(C)SB1C2CCCC1CCC2 195793063 FHIKLALVKYPBDK-UHFFFAOYSA-N 196.168 4.228 70 30 AIIC CC(C)C[BH-](CC(C)C)CC(C)C 196467668 VQCVSLRGBBXRCE-UHFFFAOYSA-N 183.168 4.182 70 30 AIIC C1CC2CCCC3CCCC(C1)B23 195777934 SKOKKTJRHJQZHK-UHFFFAOYSA-N 176.112 4.144 70 30 AIIC