smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccc2cc(S(=O)(=O)Cl)ccc2c1 100401477 OXHYCRDRXFZPMW-UHFFFAOYSA-N 240.711 3.076 70 50 BGIA Fc1cc(Cl)ccc1C[B-](F)(F)F 228824143 MSDYDQLRGBCQOQ-UHFFFAOYSA-N 211.374 3.408 70 50 BGIA O=C(CC[B-](F)(F)F)Nc1ccccc1F 230554458 XDJZFLNFZKSCEG-UHFFFAOYSA-N 233.981 3.002 70 50 BGIA Cl[SiH](Cl)CCCc1ccccc1 207736924 HHCAULAWARSHJQ-UHFFFAOYSA-N 219.187 3.317 70 50 BGIA C[SiH](C)c1sc(Cl)c(Cl)c1Cl 169815902 DIGHWRFPGUGNJA-UHFFFAOYSA-N 245.634 3.402 70 50 BGIA CCO[Si](Cl)(Cl)Cc1ccccc1 169811045 QMQHYLPFYMZHTF-UHFFFAOYSA-N 235.186 3.221 70 50 BGIA F[B-](F)(F)c1ccc(Cc2ccccc2)cc1 203501591 KWZNHLBKXOVRFU-UHFFFAOYSA-N 235.037 3.332 70 50 BGIA c1ccc(CCC[SiH2]Cc2ccccc2)cc1 169818240 MNCNDHROMQQLGB-UHFFFAOYSA-N 240.422 3.407 70 50 BGIA ClCCC[Si](Cl)(Cl)Cl 169746389 OOXSLJBUMMHDKW-UHFFFAOYSA-N 211.979 3.271 70 50 BGIA CCCCCc1ccc(S(=O)(=O)Cl)cc1 66032902 XDWXZRVWJHEWMT-UHFFFAOYSA-N 246.759 3.347 70 50 BGIA CCCCCCCCCS(=O)(=O)Cl 103430415 AJOTWPQTESRFCQ-UHFFFAOYSA-N 226.769 3.306 70 50 BGIA in-vitro Cc1cc2c(c(Cl)c1Br)OCO2 217989114 XSQWRCHEVXOYRO-UHFFFAOYSA-N 249.491 3.140 70 50 BGIA Cc1ccc([B-](F)(F)F)c2ccccc12 169747236 INUCWPXYSZXTEX-UHFFFAOYSA-N 208.999 3.203 70 50 BGIA O=C(Cl)Oc1c(F)c(F)c(F)c(F)c1F 113157093 PQBYMIGEEFVPNG-UHFFFAOYSA-N 246.518 3.120 70 50 BGIA C=C(COCc1ccccc1)[B-](F)(F)F 200975869 AUMPKDNLGCLBBI-UHFFFAOYSA-N 215.003 3.146 70 50 BGIA in-vitro CCC(C)(C)c1ccc(S(=O)(=O)F)cc1 238850612 BZRKPSSBFPFUNX-UHFFFAOYSA-N 230.304 3.032 70 50 BGIA C[Si](C)(Cl)c1ccc(Br)cc1 196194922 PGVQUNBYZVLSGW-UHFFFAOYSA-N 249.611 3.100 70 50 BGIA O=S(=O)(F)c1ccc(-c2cccs2)cc1 675064898 VCYXYIAVLXRONU-UHFFFAOYSA-N 242.296 3.073 70 50 BGIA C[N+](=C=NC1CCCCC1)C1CCCCC1 100517673 RSSFYLGZQQQZRE-UHFFFAOYSA-N 221.368 3.468 70 50 BGIA C[SiH](C)c1c(Cl)ccc(Cl)c1Cl 169816936 QSHPBRQXSBFNAM-UHFFFAOYSA-N 239.605 3.341 70 50 BGIA C=C(CN(C)Cc1ccccc1)[B-](F)(F)F 199631475 SGGHBSAFPCKSHA-UHFFFAOYSA-N 228.046 3.061 70 50 BGIA Cc1ccc(NC(=O)CC[B-](F)(F)F)cc1 230553147 YNIJQYXWPJYADH-UHFFFAOYSA-N 230.018 3.171 70 50 BGIA Cc1ccc(S(=O)(=O)Cl)c2ccccc12 95747850 WLEBLSWMOQCGTE-UHFFFAOYSA-N 240.711 3.076 70 50 BGIA in-vitro F[B-](F)(F)/C=C/COCc1ccccc1 299803821 FQKFHOPGAVYVIS-QPJJXVBHSA-N 215.003 3.146 70 50 BGIA F[B-](F)(F)c1ccc(Cl)cc1Cl 169746063 QSJNEBYIQGTUOX-UHFFFAOYSA-N 213.802 3.048 70 50 BGIA C[SiH](C)c1c(Cl)cc(Cl)cc1Cl 169816934 PFZKBVDHIVBUOE-UHFFFAOYSA-N 239.605 3.341 70 50 BGIA C=C(CCl)C[Si](Cl)(Cl)Cl 170154051 SJFJNNLIAXEOSE-UHFFFAOYSA-N 223.990 3.437 70 50 BGIA ClC[C@H](Cl)[Si](Cl)(Cl)Cl 169811083 PXYVBFOZDSGKNO-UWTATZPHSA-N 232.397 3.027 70 50 BGIA CC(C)(C)OC(=O)n1ccc(-c2ccccc2)n1 216702105 GDEQKBQAXPSVOR-UHFFFAOYSA-N 244.294 3.333 70 50 BGIA CC(C)CB1OC[C@@H](C)CN1C1CCCCC1 195800617 LGLJRORMMWYIDF-ZDUSSCGKSA-N 237.196 3.432 70 50 BGIA O=C(CC[B-](F)(F)F)Nc1cccc(F)c1 230554408 ALXQJAMFQVYXKY-UHFFFAOYSA-N 233.981 3.002 70 50 BGIA CC(C)CB1OC[C@H](C)CN1C1CCCCC1 195800621 LGLJRORMMWYIDF-CYBMUJFWSA-N 237.196 3.432 70 50 BGIA Cc1ccc2sc(S(=O)(=O)Cl)cc2c1 95749455 YGGJYXHTCDQVDB-UHFFFAOYSA-N 246.740 3.137 70 50 BGIA CC(C)C[C@@H](c1ccccc1)S(=O)(=O)F 757181124 XTRRRYMJWMKVKD-NSHDSACASA-N 230.304 3.073 70 50 BGIA CC(C)(C)c1ccc([B-](F)(F)F)cc1 169746039 ICSNCNIRSRHOSG-UHFFFAOYSA-N 201.020 3.039 70 50 BGIA BrB1C2CCCC1CCC2 169875993 FYZDPIIMSZAKGP-UHFFFAOYSA-N 200.916 3.481 70 50 BGIA CC(C)/C(Br)=C/[B-](F)(F)F 200976533 KWNJGVSZFVMJCK-HYXAFXHYSA-N 215.829 3.308 70 50 BGIA C[Si](Cl)(Cl)[Si](C)(Cl)Cl 169876336 JTBAMRDUGCDKMS-UHFFFAOYSA-N 228.054 3.164 70 50 BGIA in-vitro CC[C@H](C)c1ccc(S(=O)(=O)Cl)cc1 100141758 WJWCEGFXTKWVPH-QMMMGPOBSA-N 232.732 3.128 70 50 BGIA in-vitro F[B-](F)(F)c1ccc(Cl)c(Cl)c1 169746061 XRQIWLPBSLHOOU-UHFFFAOYSA-N 213.802 3.048 70 50 BGIA in-vitro O=C(CC[B-](F)(F)F)Nc1ccc(F)cc1 230554358 QGQVGFHWHSONRR-UHFFFAOYSA-N 233.981 3.002 70 50 BGIA Cc1c(C)c(C)c(S(=O)(=O)Cl)c(C)c1C 95676947 VDBXRBKVRRJRRW-UHFFFAOYSA-N 246.759 3.156 70 50 BGIA Fc1cc(C[B-](F)(F)F)ccc1Cl 236203921 UUCSRKGEUTUQQY-UHFFFAOYSA-N 211.374 3.408 70 50 BGIA ClC[C@@H](Cl)[Si](Cl)(Cl)Cl 169811085 PXYVBFOZDSGKNO-REOHCLBHSA-N 232.397 3.027 70 50 BGIA Cc1[nH]nc2ccc(Br)c(Cl)c12 217729671 RORINVRJZNHYSH-UHFFFAOYSA-N 245.507 3.287 70 50 BGIA CCC(C)(C)c1ccc(S(=O)(=O)Cl)cc1 100027057 WLBQFZZPRWQTGR-UHFFFAOYSA-N 246.759 3.302 70 50 BGIA O=S(=O)(F)c1cccc(-c2cccs2)c1 675063232 OPLJATULIOXBQO-UHFFFAOYSA-N 242.296 3.073 70 50 BGIA F[B-](F)(F)CCOCc1ccccc1 206492765 VOEPCWYWGKDCBA-UHFFFAOYSA-N 202.992 3.051 70 50 BGIA in-vitro CC[C@@H](C)c1ccc(S(=O)(=O)Cl)cc1 100141756 WJWCEGFXTKWVPH-MRVPVSSYSA-N 232.732 3.128 70 50 BGIA in-vitro O=S(=O)(F)c1ccc(-c2ccccc2)cc1 105417842 PNFCPDDYELHQKF-UHFFFAOYSA-N 236.267 3.012 70 50 BGIA CCCCc1ccc([B-](F)(F)F)cc1 169965508 GVCCMRPNMYXDEC-UHFFFAOYSA-N 201.020 3.084 70 50 BGIA in-vitro F[B-](F)(F)c1cc(Cl)cc(Cl)c1 169965504 SJKVQOOGFQUEGQ-UHFFFAOYSA-N 213.802 3.048 70 50 BGIA Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Cl 60003360 OVTOPAMDBHJZNS-UHFFFAOYSA-N 246.759 3.220 70 50 BGIA C[Si](C)(C)[SiH]([Si](C)(C)C)[Si](C)(C)C 169743137 SQMFULTZZQBFBM-UHFFFAOYSA-N 248.667 3.463 70 50 BGIA CC(C)(C)c1ccc(CS(=O)(=O)Cl)cc1 95749466 NEJDUPGGBSPJLG-UHFFFAOYSA-N 246.759 3.053 70 50 BGIA in-vitro F[B-](F)(F)c1cccc(Cc2ccccc2)c1 169806178 QNFGKTQSCFSAPN-UHFFFAOYSA-N 235.037 3.332 70 50 BGIA C[Si](Cl)(Cl)CCC(F)(F)F 169746954 OHABWQNEJUUFAV-UHFFFAOYSA-N 211.086 3.488 70 50 BGIA CC(C)C[C@H](c1ccccc1)S(=O)(=O)F 757181123 XTRRRYMJWMKVKD-LLVKDONJSA-N 230.304 3.073 70 50 BGIA C[SiH](Cc1ccc(Cl)cc1)c1ccccc1 169817049 KXTNUYOEGFXNAF-UHFFFAOYSA-N 246.813 3.186 70 50 BGIA CCOP(=O)(CCC[B-](F)(F)F)OCC 606302724 WJWLERAYDAGXPY-UHFFFAOYSA-N 246.982 3.490 70 50 BGIA CC(C)CCc1ccc(S(=O)(=O)Cl)cc1 100470472 TZWTVBUSXZKFLW-UHFFFAOYSA-N 246.759 3.203 70 50 BGIA in-vitro O=S(=O)(F)c1cccc(-c2ccccc2)c1 238853893 LOQIAGFRQXGKFH-UHFFFAOYSA-N 236.267 3.012 70 50 BGIA CCc1c(F)cc(Br)cc1OC 216750098 RYQIUFQAFYDUHH-UHFFFAOYSA-N 233.080 3.159 70 50 BGIA O=S(=O)(Cl)c1ccc(C2CCCC2)cc1 100758300 QIUWSLVVXHWTKC-UHFFFAOYSA-N 244.743 3.272 70 50 BGIA