smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C=C(C[C@H](Cl)CC)c1ccccc1 114635939 FCOHQGRNAZKAKS-GFCCVEGCSA-N 194.705 4.107 70 10 AIIE CCCC[C@@H](Cl)CC=C(C)C 142650005 NARRDFJPYMDNEU-SNVBAGLBSA-N 174.715 4.140 70 10 AIIE Cc1coc2c(C(C)(C)C)cccc12 160627315 AMMYEFSSXUVDMC-UHFFFAOYSA-N 188.270 4.039 70 10 AIIE CCC[C@H](CC)[C@H]1C[C@H]1[B-](F)(F)F 2242038585 SKDCSJXDVGAWOV-DJLDLDEBSA-N 193.041 4.050 70 10 AIIE CCC[C@H](CC)[C@@H]1C[C@@H]1[B-](F)(F)F 2242038584 SKDCSJXDVGAWOV-CIUDSAMLSA-N 193.041 4.050 70 10 AIIE C=CC[Si](Cl)(C(C)C)C(C)C 195832171 WFOIFRMIGNBYDP-UHFFFAOYSA-N 190.790 4.177 70 10 AIIE CCCCCCS/C=C/CCl 148600907 OVUALSYVQBOMNR-RMKNXTFCSA-N 192.755 4.052 70 10 AIIE CCCC/C(C)=C/CCCCCCO 216634437 MBBHTDHCWLTZHG-ACCUITESSA-N 198.350 4.066 70 10 AIIE CCC[C@H](CC)[C@H]1C[C@@H]1[B-](F)(F)F 2242038586 SKDCSJXDVGAWOV-YIZRAAEISA-N 193.041 4.050 70 10 AIIE C/C=C/CCCCC[C@@H](C)Cl 148452599 DEOKWIIYIAIRRH-HMDXOVGESA-N 174.715 4.140 70 10 AIIE C/C=C(\C)CCc1cc2ccccc2[nH]1 217579993 CGJYKUNGCKGKBH-QDEBKDIKSA-N 199.297 4.067 70 10 AIIE CCC(C)(C)c1ccc2occc2c1 160623872 MLRVSMBJMVJKPN-UHFFFAOYSA-N 188.270 4.120 70 10 AIIE ClCCC1CCCCCCCC1 165871847 CJMNLDXXZAOFQR-UHFFFAOYSA-N 188.742 4.366 70 10 AIIE CC(C)(C)B1C2CCCC1CCC2 170155651 BGJOORDFIDKBML-UHFFFAOYSA-N 178.128 4.390 70 10 AIIE CCB(CC)[C@H](CC)c1ccccc1 196427902 WVTKDXQGZUCCPX-CYBMUJFWSA-N 188.123 4.254 70 10 AIIE CCCCC(CCl)CCCC 150269470 ZWZDKOAZDDGDOH-UHFFFAOYSA-N 176.731 4.222 70 10 AIIE Cc1cc(C(C)(C)C)c2occc2c1 160622565 SUSPULHHCAQJEE-UHFFFAOYSA-N 188.270 4.039 70 10 AIIE C/C=C/CB(C/C=C/C)C/C=C/C 195835534 MWPRLKGQGBUYQD-OTWDQPKHSA-N 176.112 4.210 70 10 AIIE F[B-](F)(F)CCCC1=CCCCC1 1889712194 NFOWAJDSSHVOQK-UHFFFAOYSA-N 191.025 4.114 70 10 AIIE CCCCCCC(=O)[C@H](C)CCCC 218314829 QUVGIPBZRLBNNJ-GFCCVEGCSA-N 198.350 4.352 70 10 AIIE C/C=C/[C@@H](Cl)CCCCCC 147487376 XZBVVWVGGMIDEL-VMKBVTSJSA-N 174.715 4.140 70 10 AIIE CCB(CC)[C@@H](CC)c1ccccc1 196427895 WVTKDXQGZUCCPX-ZDUSSCGKSA-N 188.123 4.254 70 10 AIIE CCCC(/C=C/[B-](F)(F)F)CCC 1880796982 KKWCRZHKMAMPGK-BQYQJAHWSA-N 193.041 4.146 70 10 AIIE CCCCC[C@@H](C)[C@H](C)CCl 168127210 RGAVCITYGGDZEC-NXEZZACHSA-N 176.731 4.078 70 10 AIIE CC1(C)CC[C@H](CC[B-](F)(F)F)C1 1892860461 JNLCGKDAPMEQPZ-MRVPVSSYSA-N 193.041 4.050 70 10 AIIE Cc1ccc(C(C)C)c2occ(C)c12 160627866 JJAJVXADMFIJTQ-UHFFFAOYSA-N 188.270 4.173 70 10 AIIE CCC/C(C)=C\CCCCCCCO 216634214 PENZVDYUYYVFCG-QBFSEMIESA-N 198.350 4.066 70 10 AIIE CCCCCCC(=O)CCCC(C)C 218315119 KEMXWLKSWOURIE-UHFFFAOYSA-N 198.350 4.352 70 10 AIIE CCC1CCC(C[B-](F)(F)F)CC1 1881225788 ZWGBVXJTVUQEEJ-UHFFFAOYSA-N 193.041 4.050 70 10 AIIE CCCCC[C@H](C)[C@H](C)CCl 168127318 RGAVCITYGGDZEC-VHSXEESVSA-N 176.731 4.078 70 10 AIIE CCCCCCB1CCCC[C@H](C)O1 216862781 IONPIMDWMMIGSO-LBPRGKRZSA-N 196.143 4.147 70 10 AIIE Cc1cc(C(C)(C)C)cc2ccoc12 160627986 BNSCZYVXYUTHRY-UHFFFAOYSA-N 188.270 4.039 70 10 AIIE F[B-](F)(F)C=C1CCCCCCC1 1912948628 MGCMZEQBDGFHKW-UHFFFAOYSA-N 191.025 4.044 70 10 AIIE CC1(C)CCC[C@H](C[B-](F)(F)F)C1 1857780866 WUDMLSCSJLXRLJ-QMMMGPOBSA-N 193.041 4.050 70 10 AIIE CCCC[C@@H](CC)C[B-](F)(F)F 203443904 KMNFEUJDONOFPM-MRVPVSSYSA-N 181.030 4.050 70 10 AIIE CCCCC[C@H](C)[C@@H](C)CCl 168127113 RGAVCITYGGDZEC-UWVGGRQHSA-N 176.731 4.078 70 10 AIIE CC1(C)C[C@H]1B1CC(C)(C)C(C)(C)C1 238249736 IUSPGMGLFNTCJE-SNVBAGLBSA-N 192.155 4.347 70 10 AIIE CCCC/C(C)=C\CCCCCCO 216634395 MBBHTDHCWLTZHG-QBFSEMIESA-N 198.350 4.066 70 10 AIIE CCCCCCCC=C[B-](F)(F)F 1924013554 NMJTXMIPBCYGKA-UHFFFAOYSA-N 193.041 4.290 70 10 AIIE C/C=C(\C)CCc1c[nH]c2ccccc12 217576625 KQRVUCQCEFXYAE-QDEBKDIKSA-N 199.297 4.067 70 10 AIIE CC1(C)C[C@@H]1B1CC(C)(C)C(C)(C)C1 238240007 IUSPGMGLFNTCJE-JTQLQIEISA-N 192.155 4.347 70 10 AIIE C[C@H]1CCC[C@@H](CC[B-](F)(F)F)C1 1881543433 JJAARVKAKYROPF-IUCAKERBSA-N 193.041 4.050 70 10 AIIE CCCCc1ccc2occ(C)c2c1 160631467 ROZNXIFHZUPNSA-UHFFFAOYSA-N 188.270 4.084 70 10 AIIE CC[C@@H](C)[Si](Cl)(CC)CC 218040839 JAUUQAGOKRRGIR-MRVPVSSYSA-N 178.779 4.011 70 10 AIIE C=P(Cl)(C(C)(C)C)C(C)(C)C 95671042 BKDKKZGJLKCVDV-UHFFFAOYSA-N 194.686 4.187 70 10 AIIE C=CCCCC[C@@H](CCl)CC=C 143699105 VZLLKWBCKUVQOB-NSHDSACASA-N 186.726 4.164 70 10 AIIE CCCCCCC(=O)[C@@H](C)CCCC 218314757 QUVGIPBZRLBNNJ-LBPRGKRZSA-N 198.350 4.352 70 10 AIIE CCC(/C=C/[B-](F)(F)F)(CC)CC 1880797628 RGOYBCDYSXBWPQ-BQYQJAHWSA-N 193.041 4.146 70 10 AIIE C=C(C[C@@H](Cl)CC)c1ccccc1 114635941 FCOHQGRNAZKAKS-LBPRGKRZSA-N 194.705 4.107 70 10 AIIE F[B-](F)(F)CCCC1CCCCC1 199592669 JRKVOOLTMSZGAP-UHFFFAOYSA-N 193.041 4.194 70 10 AIIE CC1(C)CCC[C@@H](C[B-](F)(F)F)C1 1857780865 WUDMLSCSJLXRLJ-MRVPVSSYSA-N 193.041 4.050 70 10 AIIE CC(C)(C)CCCCCCCl 165241007 MISPXQFFKIOFMA-UHFFFAOYSA-N 176.731 4.222 70 10 AIIE CC[C@@H](C)c1cccc2c(C)coc12 160626977 ISCGFBPHVUYGIJ-SECBINFHSA-N 188.270 4.255 70 10 AIIE CC[C@H](Cl)C/C=C/c1ccccc1 114635950 XNDYLPVXIPKPTM-LZGFCCKTSA-N 194.705 4.107 70 10 AIIE CC(=C[B-](F)(F)F)CCCC(C)C 1887689051 NDKFEMAIVQGREK-UHFFFAOYSA-N 193.041 4.146 70 10 AIIE CC(C)C(CC[B-](F)(F)F)C(C)C 1881124328 MMXQXBHZWHRTHA-UHFFFAOYSA-N 195.057 4.152 70 10 AIIE CC(=C[B-](F)(F)F)CCC(C)(C)C 1912936633 TVFRCTYIVZZRES-UHFFFAOYSA-N 193.041 4.146 70 10 AIIE C/C=C(/C)CCc1cc2ccccc2[nH]1 217580075 CGJYKUNGCKGKBH-JYOAFUTRSA-N 199.297 4.067 70 10 AIIE CC(=C[B-](F)(F)F)[C@H](C)CC(C)C 1912981335 ULVXCGSXNDEQHB-MRVPVSSYSA-N 193.041 4.002 70 10 AIIE CC(C)CCCCCCn1cccc1 217972324 LOPVFVPIUWBUFI-UHFFFAOYSA-N 193.334 4.095 70 10 AIIE C=CCCCC[C@H](CCl)CC=C 143698919 VZLLKWBCKUVQOB-LLVKDONJSA-N 186.726 4.164 70 10 AIIE CCC/C(C)=C/CCCCCCCO 216634263 PENZVDYUYYVFCG-ACCUITESSA-N 198.350 4.066 70 10 AIIE C[C@H](C[B-](F)(F)F)C1CCCCC1 306364392 AMAZHKHXWJFJJP-MRVPVSSYSA-N 193.041 4.050 70 10 AIIE CCCB(CCC)CC1=CCCC1 196069509 JOTYSIMVPWJYDW-UHFFFAOYSA-N 178.128 4.412 70 10 AIIE CC(C)=CCCC(C)=C[B-](F)(F)F 1881158162 BAGTVLFVSJKVTH-UHFFFAOYSA-N 191.025 4.066 70 10 AIIE CCCCC/C(C)=C\CCCCCO 216634548 OPLADCDKDKVMEB-QBFSEMIESA-N 198.350 4.066 70 10 AIIE CC(C)(C)C1(C[B-](F)(F)F)CCC1 1881202444 MEKXHKHPFCEFJN-UHFFFAOYSA-N 193.041 4.050 70 10 AIIE CCCC[C@H](CC)C[B-](F)(F)F 203443896 KMNFEUJDONOFPM-QMMMGPOBSA-N 181.030 4.050 70 10 AIIE C[C@@H]1CCC[C@@H](CC[B-](F)(F)F)C1 1881543431 JJAARVKAKYROPF-BDAKNGLRSA-N 193.041 4.050 70 10 AIIE C[C@@H]1CCC[C@H](CC[B-](F)(F)F)C1 1881543434 JJAARVKAKYROPF-RKDXNWHRSA-N 193.041 4.050 70 10 AIIE Cc1ccc(C(C)C)c2c(C)coc12 160629449 PVJMPROKEZHSIE-UHFFFAOYSA-N 188.270 4.173 70 10 AIIE CCCCCCB1CCCC[C@@H](C)O1 216862805 IONPIMDWMMIGSO-GFCCVEGCSA-N 196.143 4.147 70 10 AIIE CCC(C)=P(F)(F)C(C)(C)C 95670801 KLOYBPPOXYIREO-UHFFFAOYSA-N 182.194 4.174 70 10 AIIE CCCCC/C(C)=C/CCCCCO 216634583 OPLADCDKDKVMEB-ACCUITESSA-N 198.350 4.066 70 10 AIIE C/C=C/[C@H](Cl)CCCCCC 147487172 XZBVVWVGGMIDEL-GOJXHPMJSA-N 174.715 4.140 70 10 AIIE CCC(C=C[B-](F)(F)F)(CC)CC 1912985441 RGOYBCDYSXBWPQ-UHFFFAOYSA-N 193.041 4.146 70 10 AIIE C/C=C/CCCCC[C@H](C)Cl 148452820 DEOKWIIYIAIRRH-FSIBCCDJSA-N 174.715 4.140 70 10 AIIE CC1(B2CC(C)(C)C(C)(C)C2)CC1 238198513 GLMOZMBBVRBVGD-UHFFFAOYSA-N 178.128 4.101 70 10 AIIE CC(=C[B-](F)(F)F)[C@@H](C)CC(C)C 1912981337 ULVXCGSXNDEQHB-QMMMGPOBSA-N 193.041 4.002 70 10 AIIE CCB(CC)OC1=C(CC)CCCC1 196635149 RCUXHJTYPVQUAX-UHFFFAOYSA-N 194.127 4.272 70 10 AIIE CCCC[C@H](Cl)CC=C(C)C 142650211 NARRDFJPYMDNEU-JTQLQIEISA-N 174.715 4.140 70 10 AIIE C/C=C(/C)CCc1c[nH]c2ccccc12 217576702 KQRVUCQCEFXYAE-JYOAFUTRSA-N 199.297 4.067 70 10 AIIE CC1(C)CC[C@@H](CC[B-](F)(F)F)C1 1892860462 JNLCGKDAPMEQPZ-QMMMGPOBSA-N 193.041 4.050 70 10 AIIE CCCC(C=C[B-](F)(F)F)CCC 1953703166 KKWCRZHKMAMPGK-UHFFFAOYSA-N 193.041 4.146 70 10 AIIE C=CCCCCCCC[B-](F)(F)F 2209027397 FWPHSPVJTABDBH-UHFFFAOYSA-N 193.041 4.360 70 10 AIIE CCCCCCC(C)=C[B-](F)(F)F 1912957779 YZZMMQFLZMAJKK-UHFFFAOYSA-N 193.041 4.290 70 10 AIIE CC[C@@H](Cl)C/C=C/c1ccccc1 114635944 XNDYLPVXIPKPTM-UVMWJGKXSA-N 194.705 4.107 70 10 AIIE CC(C)CC[SiH](C(C)C)C(C)C 382687197 LPOXWSZXAQDKPT-UHFFFAOYSA-N 186.415 4.080 70 10 AIIE CCCCC[C@@H](C)[C@@H](C)CCl 168127018 RGAVCITYGGDZEC-ZJUUUORDSA-N 176.731 4.078 70 10 AIIE CCC(=C[B-](F)(F)F)CCC(C)C 1881007590 ADTVHRCRYSHSHD-UHFFFAOYSA-N 193.041 4.146 70 10 AIIE CCCC(=C[B-](F)(F)F)C(C)(C)C 1912976288 HIISLMIPSHAGIF-UHFFFAOYSA-N 193.041 4.146 70 10 AIIE CC(C)CCCCC[B-](F)(F)F 383100939 FJJFXEXKWGCEDR-UHFFFAOYSA-N 181.030 4.050 70 10 AIIE CC[C@H](C)c1cccc2c(C)coc12 160627155 ISCGFBPHVUYGIJ-VIFPVBQESA-N 188.270 4.255 70 10 AIIE CCCCCC(=C[B-](F)(F)F)CC 1881253844 SOXBGGWOPUXJEP-UHFFFAOYSA-N 193.041 4.290 70 10 AIIE C[C@H]1CCC[C@H](CC[B-](F)(F)F)C1 1881543432 JJAARVKAKYROPF-DTWKUNHWSA-N 193.041 4.050 70 10 AIIE C[C@@H](C[B-](F)(F)F)C1CCCCC1 306364402 AMAZHKHXWJFJJP-QMMMGPOBSA-N 193.041 4.050 70 10 AIIE CCC[Si](F)(CCC)CCC 197168790 DMTSDXQHAYTVGH-UHFFFAOYSA-N 176.351 4.131 70 10 AIIE Cc1ccc(C(C)(C)C)c2occc12 160623292 PRYXOLSFIUEMLZ-UHFFFAOYSA-N 188.270 4.039 70 10 AIIE CCC(=C[B-](F)(F)F)C[C@H](C)CC 1912965375 YMGUFFUAHDLHDM-MRVPVSSYSA-N 193.041 4.146 70 10 AIIE CC[C@H](C)[Si](Cl)(CC)CC 218040919 JAUUQAGOKRRGIR-QMMMGPOBSA-N 178.779 4.011 70 10 AIIE CCC(=C[B-](F)(F)F)C[C@@H](C)CC 1912965377 YMGUFFUAHDLHDM-QMMMGPOBSA-N 193.041 4.146 70 10 AIIE CC[C@H]1CC[C@H](C[B-](F)(F)F)CC1 1881225787 ZWGBVXJTVUQEEJ-KYZUINATSA-N 193.041 4.050 70 10 AIIE