smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features [N-]=[N+]=Nc1ccccc1S(=O)(=O)Cl 100634839 CEUUIHGRGHOUEE-UHFFFAOYSA-N 217.637 2.556 70 40 BFIB in-vitro Cc1cc(F)cc([B-](F)(F)F)c1Cl 642814599 MHKCBKIIVPBFFT-UHFFFAOYSA-N 211.374 2.842 70 40 BFIB CCCn1cc(NC2=NCCCCC2)cn1 217812833 GODQHOVAMJPQLH-UHFFFAOYSA-N 220.320 2.678 70 40 BFIB Cc1ccc(NC(=O)[C@H]2CCCCO2)cc1F 159539889 LAOIUGRKXLLMSQ-GFCCVEGCSA-N 237.274 2.642 70 40 BFIB CCCCn1nc(C)c(NC2=NCCC2)c1C 217804567 PPKZJCPVZWFMNF-UHFFFAOYSA-N 234.347 2.904 70 40 BFIB CCOc1cc(C)c(S(=O)(=O)Cl)cc1C 100650038 MOEREWWNWOJSIT-UHFFFAOYSA-N 248.731 2.630 70 40 BFIB Fc1cccc([B-](F)(F)F)c1Br 307577455 PJPIEXXCFFXXKS-UHFFFAOYSA-N 241.798 2.643 70 40 BFIB Cc1c(C(=O)N=[N+]=[N-])sc(=S)n1C 17161511 GUPAUTFNUAYTQZ-UHFFFAOYSA-N 214.275 2.575 70 40 BFIB CCOC(=O)c1coc(C(OCC)OCC)c1 217704096 BUALPGMLUCXUAC-UHFFFAOYSA-N 242.271 2.528 70 40 BFIB Fc1cnc(NCc2ccccc2)c(F)c1 161093548 HDDNCHMUEHEDAG-UHFFFAOYSA-N 220.222 2.972 70 40 BFIB CC(C)(C)OC(=O)c1cncc(C(F)F)c1 217479055 LTTLIZAPMDQNNY-UHFFFAOYSA-N 229.226 2.975 70 40 BFIB O=S(=O)(Cl)c1ccc2ccsc2c1 100719396 LBFFTKZMMZJDOT-UHFFFAOYSA-N 232.713 2.829 70 40 BFIB NC(=S)[C@H]1CCC2(C1)SCCCS2 217904968 BAOGPPKXXYLUEX-ZETCQYMHSA-N 233.427 2.639 70 40 BFIB Cc1cc(C)c(C)c(S(=O)(=O)F)c1C 105401809 OSALMMDMQBXQLX-UHFFFAOYSA-N 216.277 2.578 70 40 BFIB CCCn1nccc1CNc1cnn(C(C)C)c1 160140458 CZOYMIQJMCMFMW-UHFFFAOYSA-N 247.346 2.683 70 40 BFIB CCC(C)(C)NC(=S)Nc1ccncc1 218279125 YCPIEAMZOSMPCB-UHFFFAOYSA-N 223.345 2.557 70 40 BFIB O=S(=O)(OC1=CCCCCC1)C(F)(F)F 43393850 NIHXETKTKWAKCX-UHFFFAOYSA-N 244.234 2.701 70 40 BFIB Cc1ccc(/C=C/S(=O)(=O)Cl)cc1 100143941 MRZCTZARTQWKLE-VOTSOKGWSA-N 216.689 2.534 70 40 BFIB in-vitro CC(C)(C)OC(=O)NC1C2CCC1CC2 217898059 BQKZCBCAENWGLW-UHFFFAOYSA-N 211.305 2.700 70 40 BFIB Cc1ccc(CC(=O)OC2CCCC2)c(N)c1 217776368 UMPQYHAEIANARH-UHFFFAOYSA-N 233.311 2.606 70 40 BFIB Cc1ccc(C)c2sc(NCCN(C)C)nc12 217428496 FFRHTVLBAHDYLV-UHFFFAOYSA-N 249.383 2.887 70 40 BFIB [N-]=[N+]=Nc1ccc(S(=O)(=O)Cl)cc1 100914458 XGEZBMWZAWSSIK-UHFFFAOYSA-N 217.637 2.556 70 40 BFIB in-vitro COc1ccc(C(C)(C)C)cc1S(=O)(=O)F 105424648 QTBAKHXULXKOMV-UHFFFAOYSA-N 246.303 2.651 70 40 BFIB Cc1cc(C)c(CS(=O)(=O)Cl)c(C)c1 88251528 WUYFJGLMOZDUJH-UHFFFAOYSA-N 232.732 2.680 70 40 BFIB Cc1ccc(N)c(CC(=O)OC2CCCCC2)c1 217782764 VQNVPZBGRIBXNA-UHFFFAOYSA-N 247.338 2.996 70 40 BFIB c1ccc(-n2ccc(C3OCCO3)c2)cc1 216699526 FUDGYIAICYOQTL-UHFFFAOYSA-N 215.252 2.523 70 40 BFIB CC(C)(C)OC(=O)N[C@H]1C[C@@H]1[B-](F)(F)F 209663216 IMQDJQVQPKLHEJ-WDSKDSINSA-N 224.011 2.501 70 40 BFIB COCOCCCCCCCCCCC[SiH3] 309194484 KRZIAMPEYCELPQ-UHFFFAOYSA-N 246.467 2.902 70 40 BFIB CCCC(=O)c1cccc(S(=O)(=O)Cl)c1 59079758 XDELZPFQPVYZRK-UHFFFAOYSA-N 246.715 2.597 70 40 BFIB COC(=O)c1ccc(Cc2ccc(F)cc2)[nH]1 217658705 DWCNSGKKNSATOL-UHFFFAOYSA-N 233.242 2.531 70 40 BFIB CC(C)n1cc(NC2=NCCCCC2)cn1 217812938 ZCKBRUMRTSQEFY-UHFFFAOYSA-N 220.320 2.848 70 40 BFIB CCCc1ccccc1S(=O)(=O)Cl 106549155 NAURBQKSUZFYQT-UHFFFAOYSA-N 218.705 2.567 70 40 BFIB COC(=O)Oc1c(F)c(F)c(F)c(F)c1F 100028766 HGYOVHMDBHQLOE-UHFFFAOYSA-N 242.099 2.527 70 40 BFIB c1ccc(Cn2ccc(-c3cccnc3)n2)cc1 216693278 HVDOPFQCCLUIQV-UHFFFAOYSA-N 235.290 2.993 70 40 BFIB Cc1ccc(C2=NN=C(O)[C@H]3C[C@@H]23)cc1C 217829560 IURURYPXIJLNBT-MNOVXSKESA-N 214.268 2.614 70 40 BFIB COC(=O)c1ccc(Cc2cccc(F)c2)[nH]1 217658594 YHKQLXNMOJAWGC-UHFFFAOYSA-N 233.242 2.531 70 40 BFIB COc1ccccc1/C=C/C(=O)N=[N+]=[N-] 57477942 WIXPQXNMOKLVKM-VOTSOKGWSA-N 203.201 2.545 70 40 BFIB Cc1ccccc1-c1noc([C@@H]2CCCO2)n1 160862155 IYSYNHXQYLVJKG-NSHDSACASA-N 230.267 2.897 70 40 BFIB CC(C)(C)OC(=O)Nc1ccn2nccc2c1 217957167 GTMGRDBOCBCOKU-UHFFFAOYSA-N 233.271 2.681 70 40 BFIB CC(C)c1cc(S(=O)(=O)Cl)cs1 100804934 WIYUZOBSAMIEBU-UHFFFAOYSA-N 224.734 2.799 70 40 BFIB CCOC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F 217679090 ODBHUFHGOFVDOE-VHSXEESVSA-N 226.222 2.631 70 40 BFIB CC(C)(C)OC(=O)NC1CC([B-](F)(F)F)C1 169999257 FFYKJKUIRFJTSP-UHFFFAOYSA-N 238.038 2.891 70 40 BFIB O=S(=O)(Cl)c1cc(F)c(Cl)c(F)c1 103624775 KAHGIUIIJGMIDP-UHFFFAOYSA-N 247.049 2.546 70 40 BFIB CCC(=O)n1c(C)c(C(=O)OC)c2ccccc21 216949107 YTHCRWFNURVAQR-UHFFFAOYSA-N 245.278 2.787 70 40 BFIB CCCc1ccc(C2=NN=C(O)[C@@H]3C[C@H]23)cc1 217830001 JJESZHQFEYFJKX-NWDGAFQWSA-N 228.295 2.949 70 40 BFIB COC(=O)c1ccc(Cc2ccccc2F)[nH]1 217658480 PLGBYNRUSDQDHN-UHFFFAOYSA-N 233.242 2.531 70 40 BFIB O=S(=O)(Cl)c1ccc2sccc2c1 59059916 GBTJHYDVNAYQMM-UHFFFAOYSA-N 232.713 2.829 70 40 BFIB CC(C)c1ccc(/C=C/c2nnc(N)o2)cc1 216747360 VKOUZFTUEBTSFW-VMPITWQZSA-N 229.283 2.946 70 40 BFIB O=C(Cc1ccsc1)N1[C@H]2C=CC[C@H]1CC2 218746701 SHNCBCMZVHKXCH-RYUDHWBXSA-N 233.336 2.610 70 40 BFIB C=CCOP(=O)(OCCl)OCC=C 140123139 OFDZDCUTTAHIIB-UHFFFAOYSA-N 226.596 2.713 70 40 BFIB c1ccc(Cn2cc(NC3=NCCC3)cn2)cc1 217804943 JDAQALGUZDLOEQ-UHFFFAOYSA-N 240.310 2.536 70 40 BFIB CCSc1ccc(S(=O)(=O)Cl)cc1 104552048 UVQXJRJJUYXIKO-UHFFFAOYSA-N 236.745 2.726 70 40 BFIB Cc1cc(S(=O)(=O)F)c(Cl)cc1Cl 95671372 PJNZSIMMTJEUSB-UHFFFAOYSA-N 243.086 2.960 70 40 BFIB Cc1ccc(N)c(CC(=O)N2CCCCCC2)c1 217786105 RQSOHIREWJNGAP-UHFFFAOYSA-N 246.354 2.522 70 40 BFIB CCC(=O)[C@@H]1C(=O)[C@@]2(C)CC[C@@H]1C2(C)C 217800067 DQYYHKHSFKGKOZ-IYYTYJHQSA-N 208.301 2.607 70 40 BFIB C[C@@H]1CCCC=C1OS(=O)(=O)C(F)(F)F 100258695 WOKAMJOGQXITCF-ZCFIWIBFSA-N 244.234 2.557 70 40 BFIB COC(CCCCCCCCCC[SiH3])OC 309168782 JVDLQCPVJOUKJM-UHFFFAOYSA-N 246.467 2.900 70 40 BFIB CC[C@@H](OC)c1cccc(S(=O)(=O)Cl)c1 103633309 QTTHZKFGXGUSFA-SNVBAGLBSA-N 248.731 2.712 70 40 BFIB Cc1ccc(OC(C)C)cc1S(=O)(=O)Cl 103581770 WSLIUIKAFJLNCW-UHFFFAOYSA-N 248.731 2.710 70 40 BFIB COc1ccccc1-n1ccc(C2OCCO2)c1 216700738 YDNWGZQFFHULNY-UHFFFAOYSA-N 245.278 2.531 70 40 BFIB CCOc1ccc(S(=O)(=O)Cl)cc1CC 110749271 NRZTTXWXNLKNGG-UHFFFAOYSA-N 248.731 2.575 70 40 BFIB COC(=O)c1ccc(Cc2ccc(C)cc2)[nH]1 217658370 PQIUKTWPOQAEEE-UHFFFAOYSA-N 229.279 2.701 70 40 BFIB Cc1cc(S(=O)(=O)Cl)ccc1OC(C)C 59108144 OJNSPOKXPHDFKG-UHFFFAOYSA-N 248.731 2.710 70 40 BFIB CC(C)(C)OC(=O)N[C@@H]1C[C@H]1[B-](F)(F)F 198027751 IMQDJQVQPKLHEJ-PHDIDXHHSA-N 224.011 2.501 70 40 BFIB O=S(=O)(OC=C1CCCCC1)C(F)(F)F 43967993 GCBOFZACDIPPCH-UHFFFAOYSA-N 244.234 2.701 70 40 BFIB CC(C)Cc1ccc(S(=O)(=O)F)cc1 105401801 PAFSJNDSBHJGDC-UHFFFAOYSA-N 216.277 2.543 70 40 BFIB CSc1nc(N)cc(-c2ccccc2C)n1 217366822 KXRXENNYKVIKSZ-UHFFFAOYSA-N 231.324 2.756 70 40 BFIB CC(C)OCc1cccc(S(=O)(=O)Cl)c1 100908769 UHCZZFVENWNVIL-UHFFFAOYSA-N 248.731 2.539 70 40 BFIB C[C@H]1CCCC=C1OS(=O)(=O)C(F)(F)F 100258700 WOKAMJOGQXITCF-LURJTMIESA-N 244.234 2.557 70 40 BFIB O=S(=O)(Cl)Cc1ccc(F)c(Cl)c1 100443975 UQJBTVUJRRGUTO-UHFFFAOYSA-N 243.086 2.548 70 40 BFIB in-vitro Cc1ccc([Si](C)(Cl)Cl)cc1 195781324 MRUIMSDHOCZKQH-UHFFFAOYSA-N 205.160 2.752 70 40 BFIB CC(=O)OCCC[Si](Cl)(Cl)Cl 195764867 VAZGKQJHXXBSSK-UHFFFAOYSA-N 235.570 2.595 70 40 BFIB CCC(=O)[C@H]1C(=O)[C@@]2(C)CC[C@@H]1C2(C)C 217800152 DQYYHKHSFKGKOZ-GMOODISLSA-N 208.301 2.607 70 40 BFIB Cc1ccc(OC(C)C)c(S(=O)(=O)Cl)c1 59108088 BWUSCGOXHPUADC-UHFFFAOYSA-N 248.731 2.710 70 40 BFIB O=S(=O)(Cl)CCCC1CCCCC1 104542493 AFHNAJOOPQXOKU-UHFFFAOYSA-N 224.753 2.916 70 40 BFIB Cc1cccc(-c2noc([C@@H]3CCCO3)n2)c1 216668412 HCJZFOXGZFTEPK-NSHDSACASA-N 230.267 2.897 70 40 BFIB Cc1ccccc1-c1noc([C@H]2CCCO2)n1 216668346 IYSYNHXQYLVJKG-LLVKDONJSA-N 230.267 2.897 70 40 BFIB CC(=O)N[C@@]12C[C@@H]3C[C@H]4[C@@H]5C[C@@H](C[C@H]1[C@@H]5C3)C[C@H]42 217419268 XADNPTMHMQGTJZ-NIYTWXOMSA-N 245.366 2.583 70 40 BFIB C=CC(=O)OCCC[Si](Cl)(Cl)Cl 195920380 LEPRPXBFZRAOGU-UHFFFAOYSA-N 247.581 2.761 70 40 BFIB CC[C@H](C)Oc1cccc(S(=O)(=O)Cl)c1 103612710 NMPIJVJGPLCDGF-QMMMGPOBSA-N 248.731 2.791 70 40 BFIB COc1cc(C)c(C(=O)C(F)F)cc1C 159783809 WFXCNHDBKSQLDL-UHFFFAOYSA-N 214.211 2.760 70 40 BFIB Cc1cc(C)c(S(=O)(=O)Cl)cc1Cl 103710449 YGDWCISOHHLNPW-UHFFFAOYSA-N 239.123 2.884 70 40 BFIB CCCc1ccc(C2=NN=C(O)[C@H]3C[C@H]23)cc1 217830091 JJESZHQFEYFJKX-RYUDHWBXSA-N 228.295 2.949 70 40 BFIB CC[C@@H](C)c1ccc(S(=O)(=O)F)cc1 105401803 IZLLSFUESIOZMW-MRVPVSSYSA-N 216.277 2.858 70 40 BFIB CCCOc1ccc(C)c(S(=O)(=O)Cl)c1 103603746 AFRXGCPKDXQQTP-UHFFFAOYSA-N 248.731 2.711 70 40 BFIB CCOc1cc(S(=O)(=O)Cl)c(C)cc1C 100757946 VDJCDRPHUPPZDE-UHFFFAOYSA-N 248.731 2.630 70 40 BFIB Cc1ccc(C2=NN=C(O)[C@@H]3C[C@@H]23)cc1C 217829480 IURURYPXIJLNBT-GHMZBOCLSA-N 214.268 2.614 70 40 BFIB CCOc1ccc(C)c2sc(N)nc12 216876267 HXXHRGLTHKVHDO-UHFFFAOYSA-N 208.286 2.586 70 40 BFIB COc1cc(NC(=O)NC(C)(C)C)ccc1F 160229535 ZLHBVIJPTGBKOC-UHFFFAOYSA-N 240.278 2.754 70 40 BFIB [SiH3]CCCCCCCCCCC1OCCO1 309518747 WXIYHXVANQOYFR-UHFFFAOYSA-N 244.451 2.654 70 40 BFIB O=S(=O)(Cl)c1cc2c(s1)CCCC2 59059937 UUBSHLWNADKCBU-UHFFFAOYSA-N 236.745 2.554 70 40 BFIB in-vitro CCOC(=O)c1ccc(SCC)nc1C 218266225 CFVPHZOXOOONLE-UHFFFAOYSA-N 225.313 2.679 70 40 BFIB C[Si](Cl)(Cl)C[SiH](Cl)Cl 196379722 LOFPLWQPZAOILI-UHFFFAOYSA-N 228.054 2.773 70 40 BFIB Fc1ccccc1-n1ccc(C2OCCO2)c1 216700357 VVIQLFPPTLPQEL-UHFFFAOYSA-N 233.242 2.662 70 40 BFIB CC[C@H](C)c1ccc(S(=O)(=O)F)cc1 105401805 IZLLSFUESIOZMW-QMMMGPOBSA-N 216.277 2.858 70 40 BFIB Cc1nn(CC(C)C)c(C)c1NC1=NCCC1 217804301 HIRPLKZDTPSQPY-UHFFFAOYSA-N 234.347 2.760 70 40 BFIB CCO[SiH2]C(c1ccccc1)c1ccccc1 204944326 MGEJIXOBPSBIGC-UHFFFAOYSA-N 242.394 2.896 70 40 BFIB CCCOc1ccc(S(=O)(=O)Cl)cc1C 100576830 DMJDDAXXIFSZJP-UHFFFAOYSA-N 248.731 2.711 70 40 BFIB CC(C)CCn1cc(NC2=NCCCC2)cn1 217806492 SIKYRQFJYXPSOV-UHFFFAOYSA-N 234.347 2.924 70 40 BFIB CC[C@@H](OC)c1ccc(S(=O)(=O)Cl)cc1 103670444 UJGIIDYLRMXKSV-SNVBAGLBSA-N 248.731 2.712 70 40 BFIB CC(C)Cn1cc(NC2=NCCCC2)cn1 217806058 WYAPRYHKCDFPEC-UHFFFAOYSA-N 220.320 2.533 70 40 BFIB Fc1ccc(-n2ccc(C3OCCO3)c2)cc1 216700420 ZLZHGRHRXSEVNN-UHFFFAOYSA-N 233.242 2.662 70 40 BFIB O=S(=O)(Cl)Cc1ccc2occc2c1 97976177 OLPKQJUUHGDWDP-UHFFFAOYSA-N 230.672 2.501 70 40 BFIB Cc1ccc(CC(=O)OC2CCCCC2)c(N)c1 217776480 KKHKUCMZRVXNDU-UHFFFAOYSA-N 247.338 2.996 70 40 BFIB Cc1ccc(C2=NN=C(O)[C@H]3C[C@H]23)cc1C 217829730 IURURYPXIJLNBT-QWRGUYRKSA-N 214.268 2.614 70 40 BFIB FB(F)c1ccc(Cc2ccccc2)cc1 232321869 KHMXOQOTEMPPGZ-UHFFFAOYSA-N 216.039 2.912 70 40 BFIB CC1(C)COc2ccc(C(C)(C)O)cc2OC1 216950657 VJPZRKRLOKKHNV-UHFFFAOYSA-N 236.311 2.711 70 40 BFIB COC(=O)c1ccc(Cc2ccccc2C)[nH]1 217658171 KLSNSYBTXIAQFE-UHFFFAOYSA-N 229.279 2.701 70 40 BFIB C[Si@H](c1ccccc1)c1cccc2ccccc12 2049250035 MFHKHEGUEMJBAK-GOSISDBHSA-N 248.401 2.811 70 40 BFIB CC[Si](Cl)(Cl)c1ccccc1 195751483 QFHGBZXWBRWAQV-UHFFFAOYSA-N 205.160 2.833 70 40 BFIB O=S(=O)(Cl)/C=C/c1ccc(Cl)cc1 100399166 HVBRPCXLQIUQLT-AATRIKPKSA-N 237.107 2.879 70 40 BFIB CCCCOc1cccc(S(=O)(=O)Cl)c1 59613607 NIBNLELXTJFUQS-UHFFFAOYSA-N 248.731 2.793 70 40 BFIB NC(=O)CCc1ccc(-c2ccc(F)cc2)o1 216923928 JSUQWDIAQZRZGU-UHFFFAOYSA-N 233.242 2.504 70 40 BFIB c1cc(-c2ccc3c(c2)OCCO3)ccn1 217570102 NNXYSVFDOZZEGO-UHFFFAOYSA-N 213.236 2.520 70 40 BFIB CCO[C@@H](C)c1ccc(S(=O)(=O)Cl)cc1 103670491 SMMNIOQCAVJZBB-QMMMGPOBSA-N 248.731 2.712 70 40 BFIB COc1ccc(OC)c(/C=C/C(=O)N=[N+]=[N-])c1 96345896 XIRPDYFXTJDTDA-ZZXKWVIFSA-N 233.227 2.554 70 40 BFIB F[B-](F)(F)c1cc(Cl)nc(C(F)(F)F)c1 642814624 NQWWIHQNWRNYOJ-UHFFFAOYSA-N 248.342 2.808 70 40 BFIB c1csc(Cn2cc(NC3=NCCC3)cn2)c1 217805397 YCMQIZKMISGPIN-UHFFFAOYSA-N 246.339 2.597 70 40 BFIB Cc1ccccc1-n1ccc(C2OCCO2)c1 216699588 ZQEYBBAMMOXNPQ-UHFFFAOYSA-N 229.279 2.831 70 40 BFIB NC(=S)[C@@H]1CCC2(C1)SCCCS2 217904899 BAOGPPKXXYLUEX-SSDOTTSWSA-N 233.427 2.639 70 40 BFIB Cc1ccc(-n2ccc(C3OCCO3)c2)cc1 216700094 HGQBRMZHCNLXAY-UHFFFAOYSA-N 229.279 2.831 70 40 BFIB COC(=O)c1ccc(Cc2cccc(C)c2)[nH]1 217658266 YDRUZQQYEOBJNX-UHFFFAOYSA-N 229.279 2.701 70 40 BFIB c1ccc(Cn2ccc(-c3ccncc3)n2)cc1 216694366 BCNAWFWWKZMJKG-UHFFFAOYSA-N 235.290 2.993 70 40 BFIB Cc1ccc(N)c(CC(=O)N2CCCC[C@@H]2C)c1 217784627 FXPBOCRNLBQTCI-LBPRGKRZSA-N 246.354 2.521 70 40 BFIB CC1(C)CC[C@H](Cn2cnc3c2CCCC3)O1 161457947 YIGUOJALZVRDAK-LLVKDONJSA-N 234.343 2.720 70 40 BFIB Cc1cc(S(=O)(=O)F)cc(Cl)c1S 104162172 NQUWYTKYVMZIKS-UHFFFAOYSA-N 240.708 2.595 70 40 BFIB Cc1ccc(CC[SiH2]C(Cl)Cl)cc1 225822050 VAGHXUBNGZSYFM-UHFFFAOYSA-N 233.214 2.886 70 40 BFIB Cc1cc(F)c(S(=O)(=O)Cl)cc1Cl 100503279 POMYQSJCYNGSIW-UHFFFAOYSA-N 243.086 2.715 70 40 BFIB [N-]=[N+]=NC(=O)c1cccc(Br)c1 19872842 XPDGTBBHLFGQFE-UHFFFAOYSA-N 226.033 2.900 70 40 BFIB CC(C)(C)Nc1ncc(C(F)(F)F)cn1 218730836 TWIONZCOPCRENT-UHFFFAOYSA-N 219.210 2.706 70 40 BFIB Cc1ccc(NC(=O)[C@@H]2CCCCO2)cc1F 159539758 LAOIUGRKXLLMSQ-LBPRGKRZSA-N 237.274 2.642 70 40 BFIB C[SiH2]OCC(c1ccccc1)c1ccccc1 299803688 RMZNKGBPQWTSFN-UHFFFAOYSA-N 242.394 2.967 70 40 BFIB c1nn(CC2CCCC2)cc1NC1=NCCC1 217804767 VLDVTHSMLSRQLM-UHFFFAOYSA-N 232.331 2.678 70 40 BFIB Cc1cccc(-c2noc([C@H]3CCCO3)n2)c1 216668456 HCJZFOXGZFTEPK-LLVKDONJSA-N 230.267 2.897 70 40 BFIB Cc1csc(C(=O)N2[C@H]3C=CC[C@H]2CC3)c1 218690202 INJCWAJTHJKNCT-QWRGUYRKSA-N 233.336 2.990 70 40 BFIB CCN(CC)C(=O)c1ccc2c(c1)CC[C@@H](C)N2 217515959 UGQVWWADXIRLEX-LLVKDONJSA-N 246.354 2.915 70 40 BFIB Cn1c(Br)cc2nc(Cl)ccc21 217730945 YVQYCUYFEGRBFC-UHFFFAOYSA-N 245.507 2.989 70 40 BFIB Cc1sc2ncccc2c1S(=O)(=O)Cl 218818121 WZSLWJQKRJNTGB-UHFFFAOYSA-N 247.728 2.532 70 40 BFIB COC(=O)c1c(OC)ccc2ccc(OC)cc12 216825398 MUIQARHVUGIPOA-UHFFFAOYSA-N 246.262 2.644 70 40 BFIB O=S(=O)(Cl)Cc1cccc2ccccc12 100509792 FPAIRDIPBPUKSD-UHFFFAOYSA-N 240.711 2.908 70 40 BFIB O=S(=O)(Cl)c1c(F)ccc(F)c1Cl 100516634 XIBTVVMBHTYRAL-UHFFFAOYSA-N 247.049 2.546 70 40 BFIB CC(C)(C)OC(=O)N[C@H]1C[C@H]1[B-](F)(F)F 209663183 IMQDJQVQPKLHEJ-RITPCOANSA-N 224.011 2.501 70 40 BFIB Cc1ncc(-c2ncc(-c3cccs3)[nH]2)cn1 216628562 FVMKYWMPCWVTTG-UHFFFAOYSA-N 242.307 2.904 70 40 BFIB C=C[Si](Cl)(Cl)c1ccccc1 169747835 QDASGLPLQWLMSJ-UHFFFAOYSA-N 203.144 2.539 70 40 BFIB C=C[Si](Cl)(c1ccccc1)c1ccccc1 169747824 PLMTWHZZBPGADP-UHFFFAOYSA-N 244.797 2.710 70 40 BFIB CC[C@H](OC)c1cccc(S(=O)(=O)Cl)c1 103633305 QTTHZKFGXGUSFA-JTQLQIEISA-N 248.731 2.712 70 40 BFIB Cc1ccc(CC(=O)N2CCCC[C@H]2C)c(N)c1 217778268 QZTNYMINZIYAOB-GFCCVEGCSA-N 246.354 2.521 70 40 BFIB CCOc1c(C)ccc(S(=O)(=O)Cl)c1C 103604159 WIRSRDIMTSMWDD-UHFFFAOYSA-N 248.731 2.630 70 40 BFIB Cc1ccc(CC(=O)N2CCCCCC2)c(N)c1 217779654 SIHSVRNJAYUNQA-UHFFFAOYSA-N 246.354 2.522 70 40 BFIB COC(=O)NCC1(c2ccsc2)CCCC1 217479349 QYOSISPUFCLKDF-UHFFFAOYSA-N 239.340 2.916 70 40 BFIB CCCCOB(c1ccccc1)c1ccccc1 195943606 AASVOBMQZFGUBD-UHFFFAOYSA-N 238.139 2.609 70 40 BFIB CCCn1nc(C)c(NC2=NCCC2)c1C 217804099 IHQDVVWYYKXKQU-UHFFFAOYSA-N 220.320 2.514 70 40 BFIB O=S(=O)(Cl)/C=C/c1ccccc1Cl 100390259 AUJUFTDORPTZBS-AATRIKPKSA-N 237.107 2.879 70 40 BFIB [N-]=[N+]=NC(=O)c1cc2ccccc2cc1O 15784546 PGHROEIDUASLGT-UHFFFAOYSA-N 213.196 2.996 70 40 BFIB c1cc(CSc2ccncc2)ccn1 160022620 TVPOPPHGKUHFEN-UHFFFAOYSA-N 202.282 2.769 70 40 BFIB CSc1nc(N)cc(-c2ccc(C)cc2)n1 217366927 CQYXFSMEECTKQF-UHFFFAOYSA-N 231.324 2.756 70 40 BFIB Cc1ccc(F)c(S(=O)(=O)Cl)c1Cl 103625604 BPQQDLIWZMXCES-UHFFFAOYSA-N 243.086 2.715 70 40 BFIB C[Si@@H](c1ccccc1)c1cccc2ccccc12 2049250036 MFHKHEGUEMJBAK-SFHVURJKSA-N 248.401 2.811 70 40 BFIB CCCCOc1ccccc1S(=O)(=O)Cl 103603851 ZRYVOOWECOSERK-UHFFFAOYSA-N 248.731 2.793 70 40 BFIB Cc1c(S(=O)(=O)Cl)oc2ccc(F)cc12 100448826 GWEKIJFFMQNQEV-UHFFFAOYSA-N 248.662 2.808 70 40 BFIB in-vitro COc1ccc(-n2ccc(C3OCCO3)c2)cc1 216700798 DSOUDGUPDNUPJH-UHFFFAOYSA-N 245.278 2.531 70 40 BFIB O=S(=O)(Cl)c1ccc(C(F)F)cc1 107267726 MRZWOBNQYQXAIR-UHFFFAOYSA-N 226.631 2.552 70 40 BFIB in-vitro Cc1ccc(N)c(CC(=O)NC2CCCCC2)c1 217786438 FVLLCKWHENTINU-UHFFFAOYSA-N 246.354 2.569 70 40 BFIB Cc1ccc(Cl)c(S(=O)(=O)Cl)c1F 103625630 ZJHOUEAJBQROPC-UHFFFAOYSA-N 243.086 2.715 70 40 BFIB CCCc1cc(S(=O)(=O)Cl)ccc1OC 104542325 NIYAJRVGADELCI-UHFFFAOYSA-N 248.731 2.575 70 40 BFIB CC1CCN(c2ccc3cc[nH]c(=O)c3c2)CC1 218061359 CUVILYBNUBXNPT-UHFFFAOYSA-N 242.322 2.764 70 40 BFIB C[SiH](C)O[Si](C)(C)Oc1ccccc1 408722179 QNJGACZVMBIAJS-UHFFFAOYSA-N 226.424 2.767 70 40 BFIB Cc1cccc(-n2ccc(C3OCCO3)c2)c1 216699656 MWUIRIGCAFOXJH-UHFFFAOYSA-N 229.279 2.831 70 40 BFIB COc1cccc(-n2ccc(C3OCCO3)c2)c1 216700480 XBHOSKLIDRKEEN-UHFFFAOYSA-N 245.278 2.531 70 40 BFIB F[B-](F)(F)c1ccc(CN2CCCCC2)s1 216312911 ADOSFLPIFKNKFN-UHFFFAOYSA-N 248.102 2.788 70 40 BFIB O=S(=O)(Cl)Cc1ccc2ccccc2c1 100469680 PJHVZZODQMXUDU-UHFFFAOYSA-N 240.711 2.908 70 40 BFIB O=S(=O)(F)c1ccc(C(F)=C(F)F)cc1 81957099 NPBIEOVDLUBMRD-UHFFFAOYSA-N 240.177 2.879 70 40 BFIB CCOc1cc(C)c(C)cc1S(=O)(=O)Cl 100757942 BBVWHALBCLRURN-UHFFFAOYSA-N 248.731 2.630 70 40 BFIB Cc1ccc(N)c(CC(=O)N2CCCC[C@H]2C)c1 217784711 FXPBOCRNLBQTCI-GFCCVEGCSA-N 246.354 2.521 70 40 BFIB Cc1ccc(CC(=O)NC2CCCCC2)c(N)c1 217780018 IZIZEGCSDBTOOP-UHFFFAOYSA-N 246.354 2.569 70 40 BFIB O=C(/C=C/c1ccco1)N1[C@H]2C=CC[C@H]1CC2 218689401 AJMYRUCYSJEJJA-OMJLJAAMSA-N 229.279 2.612 70 40 BFIB Cc1cc(CS(=O)(=O)Cl)ccc1Cl 106908449 OIWQZLQYWYCVCP-UHFFFAOYSA-N 239.123 2.717 70 40 BFIB CC1(C)OB([Si](C)(C)Cl)OC1(C)C 196101740 PDTQAESLYBAWQE-UHFFFAOYSA-N 220.581 2.601 70 40 BFIB CCc1ccc(CC)c(S(=O)(=O)Cl)c1 59384291 OJKDQNPWNIVDGO-UHFFFAOYSA-N 232.732 2.739 70 40 BFIB Cc1ccc(N)c(CC(=O)OC2CCCC2)c1 217782645 BENYFLYGVOPCPP-UHFFFAOYSA-N 233.311 2.606 70 40 BFIB Cc1ccc(CC(=O)N2CCCC[C@@H]2C)c(N)c1 217778181 QZTNYMINZIYAOB-LBPRGKRZSA-N 246.354 2.521 70 40 BFIB CCCc1ccc(C2=NN=C(O)[C@H]3C[C@@H]23)cc1 217829943 JJESZHQFEYFJKX-NEPJUHHUSA-N 228.295 2.949 70 40 BFIB Fc1ccc([B-](F)(F)F)cc1Br 307124361 QXYNKEDIUVHPDK-UHFFFAOYSA-N 241.798 2.643 70 40 BFIB O=C(Cc1cccs1)N1[C@H]2C=CC[C@H]1CC2 218690487 IRKXBWUIHYRJOC-QWRGUYRKSA-N 233.336 2.610 70 40 BFIB CC[C@@H](C)Oc1ccc(S(=O)(=O)Cl)cc1 101720972 IIXVIKKHVMQQDX-MRVPVSSYSA-N 248.731 2.791 70 40 BFIB COc1cc(C)c(S(=O)(=O)F)cc1C(C)C 105424655 WOHJKPZKXTXYRT-UHFFFAOYSA-N 246.303 2.785 70 40 BFIB C[C@H]1CCc2cc(C(=O)N3CCCC3)ccc2N1 217516149 XLQXYZRNVGQRNO-NSHDSACASA-N 244.338 2.669 70 40 BFIB CCCCNC(=O)c1ccc(C(=O)N=[N+]=[N-])cc1 33765559 XNUHEPNDGHMNME-UHFFFAOYSA-N 246.270 2.667 70 40 BFIB CCO[C@H](C)c1ccc(S(=O)(=O)Cl)cc1 103670494 SMMNIOQCAVJZBB-MRVPVSSYSA-N 248.731 2.712 70 40 BFIB C=CC[Si](Cl)(Cl)c1ccccc1 195765510 IGFFTOVGRACDBL-UHFFFAOYSA-N 217.171 2.999 70 40 BFIB O=S(=O)(Cl)Cc1ccc(F)cc1Cl 100066711 CGJQTABGNOEWSS-UHFFFAOYSA-N 243.086 2.548 70 40 BFIB O=S(=O)(Cl)/C=C/c1ccc(F)c(F)c1 59312449 UELHFMOMIZBDTC-ONEGZZNKSA-N 238.642 2.504 70 40 BFIB in-vitro Cc1cc(OC(C)C)ccc1S(=O)(=O)Cl 59108411 VZVAKZSEYGITIH-UHFFFAOYSA-N 248.731 2.710 70 40 BFIB C=CC(=O)OCCC[Si](C)(Cl)Cl 196090229 GBAQKTTVWCCNHH-UHFFFAOYSA-N 227.163 2.655 70 40 BFIB CC(C)(C)OC(=O)NCc1cnc2c(c1)CCC2 217782710 KIRFBXLNWDGPJY-UHFFFAOYSA-N 248.326 2.595 70 40 BFIB CC[C@H](OC)c1ccc(S(=O)(=O)Cl)cc1 103670441 UJGIIDYLRMXKSV-JTQLQIEISA-N 248.731 2.712 70 40 BFIB C[C@@H]1CCc2cc(C(=O)N3CCCC3)ccc2N1 217516064 XLQXYZRNVGQRNO-LLVKDONJSA-N 244.338 2.669 70 40 BFIB Cc1cc(OCC(=N)N)c(Cl)c(C)c1Cl 217374247 DRKNSPYTHDQJJO-UHFFFAOYSA-N 247.125 2.925 70 40 BFIB Cc1cccc(OC(F)F)c1NC(=O)CCl 59372331 CGWREZAMHHOJTG-UHFFFAOYSA-N 249.644 2.774 70 40 BFIB O=S(=O)(Cl)c1ccc(C(Cl)Cl)o1 103591839 GWRWXNGAYSOFPX-UHFFFAOYSA-N 249.502 2.683 70 40 BFIB CCCCn1cc(NC2=NCCCC2)cn1 217806384 IYPCHGFFDVFBLI-UHFFFAOYSA-N 220.320 2.678 70 40 BFIB O=S(=O)(Cl)c1cccc2ccsc12 97972519 JOJNZADZIIGUJY-UHFFFAOYSA-N 232.713 2.829 70 40 BFIB CCOC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F 217678999 ODBHUFHGOFVDOE-ZJUUUORDSA-N 226.222 2.631 70 40 BFIB CCOc1ccc(CC)cc1S(=O)(=O)Cl 103604515 ONRORIDVZXZGJB-UHFFFAOYSA-N 248.731 2.575 70 40 BFIB Fc1cccc(-n2ccc(C3OCCO3)c2)c1 216701256 RQAAPPUXFIYUCX-UHFFFAOYSA-N 233.242 2.662 70 40 BFIB Cc1ccc(C2=NN=C(O)[C@@H]3C[C@H]23)cc1C 217829638 IURURYPXIJLNBT-WDEREUQCSA-N 214.268 2.614 70 40 BFIB CC(C)COc1cccc(S(=O)(=O)Cl)c1 103603458 GZJMHZBKRDYHFF-UHFFFAOYSA-N 248.731 2.649 70 40 BFIB COC(=O)c1ccnc(C2CCCCC2)c1 217629808 FLVLQWBHTRERDG-UHFFFAOYSA-N 219.284 2.916 70 40 BFIB CC(C)(O)c1cccc(F)c1Br 216750292 QZAMVPHOWZYZLV-UHFFFAOYSA-N 233.080 2.816 70 40 BFIB CC[C@H](C)Oc1ccc(S(=O)(=O)Cl)cc1 101720976 IIXVIKKHVMQQDX-QMMMGPOBSA-N 248.731 2.791 70 40 BFIB CCOc1ccc(S(=O)(=O)Cl)c(C)c1C 59093301 LWHPNBNEGVCNHG-UHFFFAOYSA-N 248.731 2.630 70 40 BFIB CC1(C)CC[C@@H](Cn2cnc3c2CCCC3)O1 161458071 YIGUOJALZVRDAK-NSHDSACASA-N 234.343 2.720 70 40 BFIB CC(C)(C)Nc1ncncc1C(F)(F)F 218729822 FEWCVWGPWULHGU-UHFFFAOYSA-N 219.210 2.706 70 40 BFIB O=S(=O)(Cl)c1sccc1C1CC1 950757156 BUQFVMRVXTUIDF-UHFFFAOYSA-N 222.718 2.553 70 40 BFIB F[B-](F)(F)[n+]1c2ccccc2nc2ccccc21 195812067 ZWRZHVHHDFKPPZ-UHFFFAOYSA-N 248.016 2.868 70 40 BFIB c1ccc(Cc2nc3cnccc3o2)cc1 216882330 HCGMJZALZDNSNE-UHFFFAOYSA-N 210.236 2.814 70 40 BFIB O=S(=O)(Cl)Cc1ccc(Cl)c(F)c1 100542314 RIEHUQCOCRZIMY-UHFFFAOYSA-N 243.086 2.548 70 40 BFIB in-vitro CSc1nc(N)cc(-c2ccc(F)cc2)n1 217367044 WMNRWFCIVISFLU-UHFFFAOYSA-N 235.287 2.587 70 40 BFIB [N-]=[N+]=NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1 57477947 WDJFVRCZEIDYRQ-UHFFFAOYSA-N 231.190 2.666 70 40 BFIB Cc1c(Cl)cc(F)cc1S(=O)(=O)Cl 95682171 DPLPKJZEWFVGQM-UHFFFAOYSA-N 243.086 2.715 70 40 BFIB CCO[SiH](CCc1ccccc1)OCC 238313502 PRODGEYRKLMWHE-UHFFFAOYSA-N 224.376 2.523 70 40 BFIB CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1[B-](F)(F)F 209663249 IMQDJQVQPKLHEJ-NTSWFWBYSA-N 224.011 2.501 70 40 BFIB O=S(=O)(Cl)CC12CCC(CC1)CC2 238856556 WFNMTXBKSKVCOM-UHFFFAOYSA-N 222.737 2.525 70 40 BFIB in-vitro CC[C@@H](C)Oc1cccc(S(=O)(=O)Cl)c1 103612706 NMPIJVJGPLCDGF-MRVPVSSYSA-N 248.731 2.791 70 40 BFIB CCCc1ccc(C2=NN=C(O)[C@@H]3C[C@@H]23)cc1 217829859 JJESZHQFEYFJKX-VXGBXAGGSA-N 228.295 2.949 70 40 BFIB C=C(C)COc1ccccc1S(=O)(=O)Cl 103635833 RWKZBECTRYTNBC-UHFFFAOYSA-N 246.715 2.569 70 40 BFIB CCCCN(/C=C/S(=O)(=O)F)CCCC 100932290 VIFZZEBSBQSSBN-MDZDMXLPSA-N 237.340 2.659 70 40 BFIB CCN(CC)C(=O)c1ccc2c(c1)CC[C@H](C)N2 217515879 UGQVWWADXIRLEX-NSHDSACASA-N 246.354 2.915 70 40 BFIB Cc1nc(C)c(C(=O)N2[C@H]3C=CC[C@H]2CC3)s1 218735010 VJTSBMJYNVFRFH-QWRGUYRKSA-N 248.351 2.693 70 40 BFIB