smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features N#CC1(CS(=O)(=O)Cl)CC1 97957415 YCQUANRKFHCAHH-UHFFFAOYSA-N 179.628 0.859 70 40 ACIB in-vitro Nc1n[nH]c(C(Cl)Cl)n1 105988845 UFIZMYZBLARHLD-UHFFFAOYSA-N 166.999 0.863 70 40 ACIB CO[SiH](OC)[C@@H]1CCCCO1 1537956353 TWZPYGYWJHLKKQ-SSDOTTSWSA-N 176.288 0.608 70 40 ACIB CCS(=O)(=O)/C=C/COC 217744003 LSYLWAZZMMFIPN-GQCTYLIASA-N 164.226 0.581 70 40 ACIB NC(=O)c1sc2ccncc2c1N 217729891 TZGGCGCTVIULSI-UHFFFAOYSA-N 193.231 0.977 70 40 ACIB Cn1cc(NC2=NCCOC2)cn1 217807095 YMSBVYZVNWYEJQ-UHFFFAOYSA-N 180.211 0.261 70 40 ACIB NC(=O)c1ccc(=O)[nH]c1C(F)F 217780876 QBADYNMKYGZDQE-UHFFFAOYSA-N 188.133 0.411 70 40 ACIB N=C(N)CC(=O)N1CCCCCC1 217749806 LOXHHPSFSMYEBN-UHFFFAOYSA-N 183.255 0.715 70 40 ACIB CCOC(/C=C/[SiH3])OCC 201174624 CGVJDAVREIZDGH-AATRIKPKSA-N 160.289 0.265 70 40 ACIB CCN(CC)C(=O)CC(=N)N 217749171 AJVXBLXAJNKQGZ-UHFFFAOYSA-N 157.217 0.181 70 40 ACIB COCCC(=O)c1cc(C)nn1C 217691605 FPOUIGHFTFTUNT-UHFFFAOYSA-N 182.223 0.948 70 40 ACIB O=S(=O)(F)N1CC(F)(F)C1 1776011210 NOEQPZNFBKYMBN-UHFFFAOYSA-N 175.131 0.152 70 40 ACIB Cc1cc(C)nc(S(=O)(=O)F)n1 100035361 BPDMJOYLYBUPSI-UHFFFAOYSA-N 190.199 0.752 70 40 ACIB O=S(=O)(F)CCl 95753976 CRUSUKQDRLFRHO-UHFFFAOYSA-N 132.543 0.482 70 40 ACIB CC(C)C(=O)N1CCC(C(=N)N)CC1 217355723 JTSSWZLJOFBPQP-UHFFFAOYSA-N 197.282 0.817 70 40 ACIB O=S(=O)(F)C(F)(F)F 95676903 SLVAEVYIJHDKRO-UHFFFAOYSA-N 152.068 0.806 70 40 ACIB COc1ncc([B-](F)(F)F)c(F)n1 2061000491 FWGHZJMQLQPWHO-UHFFFAOYSA-N 194.904 0.679 70 40 ACIB CCCCNC(=O)CC(=N)N 217739133 JNCQBNBXIHHJAA-UHFFFAOYSA-N 157.217 0.229 70 40 ACIB CC(C)(C)NC(=O)CC(=N)N 217739551 AMBBMORJQAXOHB-UHFFFAOYSA-N 157.217 0.227 70 40 ACIB [SiH3]CCCl 199868096 MAYUMUDTQDNZBD-UHFFFAOYSA-N 94.617 0.009 70 40 ACIB CCn1cc(NC2=NCCOC2)cn1 217807207 NDIMPBRFQQYOPR-UHFFFAOYSA-N 194.238 0.744 70 40 ACIB Nc1ncc(S(=O)(=O)F)s1 105436471 MWYTVFPWNMCQNQ-UHFFFAOYSA-N 182.201 0.384 70 40 ACIB N#CC1CCN(S(=O)(=O)F)CC1 1776011206 MTNGNIGTDYBCDW-UHFFFAOYSA-N 192.215 0.436 70 40 ACIB O=S(=O)(F)N1CCSCC1 1776011202 MLSDFXWQOQQZAF-UHFFFAOYSA-N 185.245 0.250 70 40 ACIB Cc1nc([SiH2]C(C)C)[nH]c1C 216114951 IXMIGNQDEUCJIU-UHFFFAOYSA-N 168.316 0.649 70 40 ACIB O=S(=O)(F)c1cccc(F)n1 306221004 SKAQCGHIWRYQJL-UHFFFAOYSA-N 179.147 0.879 70 40 ACIB O=S(=O)(Cl)[C@@H]1CCCNC1 100181028 WLUQVAITSLLLAT-RXMQYKEDSA-N 183.660 0.307 70 40 ACIB O=S(=O)(Cl)CF 97972434 NNINWAWDVUHMGM-UHFFFAOYSA-N 132.543 0.482 70 40 ACIB O=S(=O)(F)C[C@@H]1CCOC1 100623339 MYVHNJXPKIQJAF-RXMQYKEDSA-N 168.189 0.322 70 40 ACIB C#CCCCS(=O)(=O)Cl 59388141 NYFAHXOSIXLIKV-UHFFFAOYSA-N 166.629 0.968 70 40 ACIB in-vitro NCc1ccc(S(=O)(=O)F)cc1 95850934 KAZMFFUBWJKPDL-UHFFFAOYSA-N 189.211 0.804 70 40 ACIB N=C(N)[C@@H]1CCCN(C(=O)C2CC2)C1 217357687 OPDABJRPLKUJHM-MRVPVSSYSA-N 195.266 0.571 70 40 ACIB Cn1cc(C2=NN=C(O)[C@H]3C[C@@H]23)cn1 217832110 WNHCBNWPBHZZTD-RQJHMYQMSA-N 190.206 0.730 70 40 ACIB CCN[B-](F)(F)F 169747708 RYITYXQMWWKITC-UHFFFAOYSA-N 111.883 0.940 70 40 ACIB O=S(=O)(Cl)NCCCl 100102363 YKEZOKIPIIBNDN-UHFFFAOYSA-N 178.040 0.298 70 40 ACIB in-vitro O=S(=O)(F)c1cncc(F)c1 238856204 VJCDLCLTZHAHJN-UHFFFAOYSA-N 179.147 0.879 70 40 ACIB N=C(N)CC(=O)NCc1cccnc1 217741848 CSANEOGVGWJNPE-UHFFFAOYSA-N 192.222 0.024 70 40 ACIB O=S(=O)(F)N1CC[C@H](F)C1 1776011221 QYVORKBTQDEQDX-BYPYZUCNSA-N 171.168 0.245 70 40 ACIB CC[C@@H](C)NC(=O)CC(=N)N 217739352 XSZONQVBHJERKO-RXMQYKEDSA-N 157.217 0.227 70 40 ACIB COC(=O)c1nccc(OC)c1O 218315035 CKMZGBMGVRAJJO-UHFFFAOYSA-N 183.163 0.582 70 40 ACIB O=C(Cl)C(F)(F)S(=O)(=O)F 103624033 IQOOSURRNAYCJV-UHFFFAOYSA-N 196.533 0.644 70 40 ACIB COc1cncc(S(=O)(=O)F)c1 238852823 HGLPILOLRPMZAU-UHFFFAOYSA-N 191.183 0.748 70 40 ACIB CCN=C=NCCN(C)C 31392964 IHQAJFDAWJOQSX-UHFFFAOYSA-N 141.218 0.742 70 40 ACIB Nc1ccc(S(=O)(=O)Cl)cn1 100031034 MFNXODBGVQIFPM-UHFFFAOYSA-N 192.627 0.591 70 40 ACIB C[C@H]1CN(S(=O)(=O)Cl)CCO1 100547108 FYKOGVZTHAJLMB-YFKPBYRVSA-N 199.659 0.191 70 40 ACIB in-vitro CCC[C@H](C)NC(=O)CC(=N)N 217751515 RGWPVDIXNWKHCT-LURJTMIESA-N 171.244 0.617 70 40 ACIB O=S(=O)(F)CCCF 95678298 QWNOXXWLUNRPEX-UHFFFAOYSA-N 144.142 0.645 70 40 ACIB in-vitro N#C[C@H]1CCCN(S(=O)(=O)F)C1 1776011260 XGHXGMYXAWXGIB-ZCFIWIBFSA-N 192.215 0.436 70 40 ACIB O=S(=O)(F)C1CCOCC1 100638973 NOECGOQFZUPHLI-UHFFFAOYSA-N 168.189 0.465 70 40 ACIB in-vitro COCCCc1cc(O)ncn1 217785380 BDJZUMWXJZAFKA-UHFFFAOYSA-N 168.196 0.761 70 40 ACIB Cc1nc2cnnc(O)c2o1 217721910 AFHDBKFSJGREGK-UHFFFAOYSA-N 151.125 0.632 70 40 ACIB N#CC1CC(S(=O)(=O)Cl)C1 260036274 KYZSJMMFFYPRBI-UHFFFAOYSA-N 179.628 0.857 70 40 ACIB NC(=S)c1cnn(C(F)(F)F)c1 217571739 ZDPJEDGNVJGQOY-UHFFFAOYSA-N 195.169 0.994 70 40 ACIB [SiH3]/C=C\C(Cl)Cl 201096824 OCZBOZANXXLHTL-UPHRSURJSA-N 141.073 0.669 70 40 ACIB [N-]=[N+]=NC(=O)c1cnccn1 39256314 RLNGGCZBYFRNSV-UHFFFAOYSA-N 149.113 0.927 70 40 ACIB CB1NN=C(C)c2sccc21 195782602 HNXGXBUGUSDRMV-UHFFFAOYSA-N 164.042 0.904 70 40 ACIB N[B-](F)(F)F 263603166 NEYJQFSJAPDBRM-UHFFFAOYSA-N 83.829 0.289 70 40 ACIB CCC(=O)N1CCC[C@H](C(=N)N)C1 217357224 TYKXMKREDJPGRU-ZETCQYMHSA-N 183.255 0.571 70 40 ACIB COc1cnccc1S(=O)(=O)F 1776011383 YIFSXXWKKUNMBN-UHFFFAOYSA-N 191.183 0.748 70 40 ACIB O=S(=O)(Cl)C[C@@H]1CCCO1 100611789 OTZGHNVMPIKAEL-YFKPBYRVSA-N 184.644 0.734 70 40 ACIB NNC(C1CC1)C1CC1 160774408 LUWZMZBVPPPZSU-UHFFFAOYSA-N 126.203 0.638 70 40 ACIB C[SiH2]CC[SiH2]C 195816441 CBXZGERYGLVXSG-UHFFFAOYSA-N 118.328 0.257 70 40 ACIB in-vitro O=S(=O)(F)CCCCl 100615032 UCAROYMFHLNNNE-UHFFFAOYSA-N 160.597 0.915 70 40 ACIB in-vitro C[C@H]1CCCN1S(=O)(=O)Cl 100491755 XDUTVEHZDSNVHL-YFKPBYRVSA-N 183.660 0.954 70 40 ACIB in-vitro NNCc1cc(C(F)(F)F)ncn1 217569090 POZFQEOTXZZFJV-UHFFFAOYSA-N 192.144 0.459 70 40 ACIB CNC(=O)c1ccc(N)s1 218621862 YSEDTOYWRSDHQN-UHFFFAOYSA-N 156.210 0.690 70 40 ACIB Cc1cc(-n2cncn2)ccn1 217587489 XFEOWLJWFZPOAE-UHFFFAOYSA-N 160.180 0.971 70 40 ACIB Cn1cncc1S(=O)(=O)Cl 95707761 IUCGUPGXVCRGRV-UHFFFAOYSA-N 180.616 0.348 70 40 ACIB O=S(=O)(F)c1ccc(F)nc1 103580156 MJQBBJRSNPUGMQ-UHFFFAOYSA-N 179.147 0.879 70 40 ACIB ONCc1cc(C(F)(F)F)ncn1 217568987 GLAJNNXASCKJTB-UHFFFAOYSA-N 193.128 0.974 70 40 ACIB CCn1cnc(S(=O)(=O)Cl)c1 59027442 JIEHZRJEPGJDMI-UHFFFAOYSA-N 194.643 0.831 70 40 ACIB in-vitro CNC(=O)Cc1cc(C)ccc1N 217782972 VGXSDZYSSPKCTM-UHFFFAOYSA-N 178.235 0.866 70 40 ACIB O=S(=O)(F)N1CCC(CF)CC1 1776011182 HEFYMDAJJICQEY-UHFFFAOYSA-N 199.222 0.882 70 40 ACIB CCc1ccc(B(O)S)cn1 198972619 ZIAAAIVJEGMAOU-UHFFFAOYSA-N 167.042 0.261 70 40 ACIB Nc1cccc(N)[n+]1[B-](F)(F)F 195813809 BSDBMASWFNBZIN-UHFFFAOYSA-N 176.938 0.331 70 40 ACIB N=C(N)COc1cccc(NC=O)c1 217369704 UHGLPUXBUQYTEN-UHFFFAOYSA-N 193.206 0.570 70 40 ACIB COc1ccc(C)[n+](C)n1 217766089 LYNVLRBVJKHHBW-UHFFFAOYSA-N 139.178 0.223 70 40 ACIB CC1CCN(C(=O)CC(=N)N)CC1 217749502 UEJRWSOJPUVNTJ-UHFFFAOYSA-N 183.255 0.571 70 40 ACIB O=S(=O)(F)NCC1CCC1 1776011225 SFOLCQMMHQDZLN-UHFFFAOYSA-N 167.205 0.590 70 40 ACIB CC1CN(S(=O)(=O)F)C1 1776011264 YIDWNCUOOYCPRP-UHFFFAOYSA-N 153.178 0.152 70 40 ACIB CCCS(=O)(=O)F 100593522 ZTYOGLNTEZDFOL-UHFFFAOYSA-N 126.152 0.696 70 40 ACIB in-vitro CC(C)=CCO[SiH3] 199861630 UZAYCKVCCAOZMS-UHFFFAOYSA-N 116.236 0.250 70 40 ACIB Cc1ccc(B(O)S)cn1 205883572 QQVGPOMQKVBGHV-UHFFFAOYSA-N 153.015 0.007 70 40 ACIB CCOC(/C=C\[SiH3])OCC 201174586 CGVJDAVREIZDGH-WAYWQWQTSA-N 160.289 0.265 70 40 ACIB Nc1cc(S(=O)(=O)F)ccc1O 104161858 MUQIAXLUXJLCKS-UHFFFAOYSA-N 191.183 0.633 70 40 ACIB O=S(=O)(F)C[C@H]1CCOC1 100623341 MYVHNJXPKIQJAF-YFKPBYRVSA-N 168.189 0.322 70 40 ACIB COC[C@H](C)CS(=O)(=O)Cl 100490782 BLPHXEISVIOFQG-YFKPBYRVSA-N 186.660 0.838 70 40 ACIB in-vitro CCS(=O)(=O)Br 103603591 SBBFZWWBMFILKH-UHFFFAOYSA-N 173.031 0.731 70 40 ACIB C#CCCS(=O)(=O)Cl 60120817 DWRHSVMNAYQMBM-UHFFFAOYSA-N 152.602 0.578 70 40 ACIB in-vitro N#Cc1ccc(S(=O)(=O)F)cn1 606257816 BBVGLGYIWGQWFZ-UHFFFAOYSA-N 186.167 0.611 70 40 ACIB C[C@H]1CCN(S(=O)(=O)Cl)C1 100475295 VHBMUTBWJORQJF-YFKPBYRVSA-N 183.660 0.812 70 40 ACIB in-vitro N=c1cc[nH]cc1S(=O)(=O)F 757565797 JAXIJDUKFHECCF-UHFFFAOYSA-N 176.172 0.152 70 40 ACIB Cc1noc(C)c1S(=O)(=O)F 103525239 SGEWLAZLQCDOKX-UHFFFAOYSA-N 179.172 0.950 70 40 ACIB CC(C)(C)N[SiH2]NC(C)(C)C 199870173 VYIRVGYSUZPNLF-UHFFFAOYSA-N 174.364 0.761 70 40 ACIB O=S(=O)(Cl)C[C@H]1CCCO1 100611786 OTZGHNVMPIKAEL-RXMQYKEDSA-N 184.644 0.734 70 40 ACIB C[C@@H]1COCCN1S(=O)(=O)Cl 59321771 DCMYXTWQZNNSDO-RXMQYKEDSA-N 199.659 0.191 70 40 ACIB in-vitro OC[B-](F)(F)F 199708537 RETRIBUDPXIRAN-UHFFFAOYSA-N 98.840 0.365 70 40 ACIB CN(CCCl)S(=O)(=O)Cl 104552069 BNMDKFLVWRQKCU-UHFFFAOYSA-N 192.067 0.641 70 40 ACIB O=S(=O)(F)c1ccc(F)cn1 100638739 IJSBTEIQGWQQPM-UHFFFAOYSA-N 179.147 0.879 70 40 ACIB in-vitro CB1NN=C(C)c2ccsc21 195782609 DUXFOERURJOMOV-UHFFFAOYSA-N 164.042 0.904 70 40 ACIB NC(=O)c1ncc(C(F)(F)F)cn1 218730170 CVXJTQHVOXSNGV-UHFFFAOYSA-N 191.112 0.594 70 40 ACIB CCn1ccc(S(=O)(=O)Cl)n1 100805347 SQZJWVSUTZJMII-UHFFFAOYSA-N 194.643 0.831 70 40 ACIB O=S(=O)(F)N1CC[C@@H](F)C1 1776011222 QYVORKBTQDEQDX-SCSAIBSYSA-N 171.168 0.245 70 40 ACIB Nc1ccc(S(=O)(=O)F)cn1 705046304 QKDLIBRLGJTOCC-UHFFFAOYSA-N 176.172 0.322 70 40 ACIB CC1(C)CN(S(=O)(=O)F)CCO1 1776011197 LWPRIZIMVIPTQZ-UHFFFAOYSA-N 197.231 0.312 70 40 ACIB O=S(=O)(Cl)Cc1ccon1 100637090 LZJDCFQEMYUREM-UHFFFAOYSA-N 181.600 0.743 70 40 ACIB in-vitro Cc1cc(S(=O)(=O)Cl)nn1C 100654823 SLQKSPVMRXDLGX-UHFFFAOYSA-N 194.643 0.656 70 40 ACIB C=Cn1nnnc1CN(CC)CC 217744239 VQDYBHMNPZJXDD-UHFFFAOYSA-N 181.243 0.615 70 40 ACIB O=S(=O)(Cl)N1CC2CC1C2 1535646118 WYBZTBKKUCUGCI-UHFFFAOYSA-N 181.644 0.564 70 40 ACIB [BH2-](c1ccccc1)[n+]1ccccc1 195785905 ONZMSNVAQGEQJS-UHFFFAOYSA-N 169.036 0.232 70 40 ACIB O=S(=O)(Cl)c1cnccn1 100026974 SGAABUUQIBNGFR-UHFFFAOYSA-N 178.600 0.404 70 40 ACIB COC(=O)c1ccc(B(O)OF)cc1 203567010 BGJZQYWSBXKZSZ-UHFFFAOYSA-N 197.958 0.062 70 40 ACIB COc1cnc([B-](F)(F)F)nc1 238343576 ZCKRLWFIBZQOLR-UHFFFAOYSA-N 176.914 0.540 70 40 ACIB O=S(=O)(F)N1CCC(F)CC1 1776011223 RJNVLISUIHYJJE-UHFFFAOYSA-N 185.195 0.635 70 40 ACIB C[C@@H]1CN(S(=O)(=O)Cl)CCO1 100547105 FYKOGVZTHAJLMB-RXMQYKEDSA-N 199.659 0.191 70 40 ACIB in-vitro O=S(=O)(Cl)NC1CC1 97971343 BFWHNTUPIABSEG-UHFFFAOYSA-N 155.606 0.222 70 40 ACIB in-vitro N#Cc1cncc(S(=O)(=O)F)c1 606257799 ACWRCUCKCOKBBG-UHFFFAOYSA-N 186.167 0.611 70 40 ACIB Nc1ccccc1S(=O)(=O)F 100490433 OYJFEOGFHBNHRT-UHFFFAOYSA-N 175.184 0.927 70 40 ACIB in-vitro COCCCS(=O)(=O)F 100655681 HKLSECKCOSGZFS-UHFFFAOYSA-N 156.178 0.322 70 40 ACIB in-vitro C[C@H](C(=O)N(C)C)S(=O)(=O)Cl 100547141 QBHOJSGSVGKIPZ-SCSAIBSYSA-N 199.659 0.032 70 40 ACIB in-vitro CSCC(F)(F)C(N)=O 218703770 ZAFKNJOGQSFOTE-UHFFFAOYSA-N 155.169 0.470 70 40 ACIB Cn1cc(C2=NN=C(O)[C@H]3C[C@H]23)cn1 217832292 WNHCBNWPBHZZTD-BQBZGAKWSA-N 190.206 0.730 70 40 ACIB CCO[SiH2]OCC 195767093 ZXPDYFSTVHQQOI-UHFFFAOYSA-N 120.224 0.058 70 40 ACIB OC1=NN=C(c2cncnc2)[C@H]2C[C@H]12 217831627 MQEJFABKWZDSND-BQBZGAKWSA-N 188.190 0.787 70 40 ACIB CC(C)C(=O)CS(=O)(=O)Cl 217519367 QOSZYFIQCIKQOX-UHFFFAOYSA-N 184.644 0.780 70 40 ACIB Cc1ncc(S(=O)(=O)Cl)[nH]1 100133638 QZSIDBSNCFPOCI-UHFFFAOYSA-N 180.616 0.646 70 40 ACIB in-vitro O=S(=O)(Cl)NC1CCOCC1 167337205 NIJSZBVONUIUBY-UHFFFAOYSA-N 199.659 0.239 70 40 ACIB [SiH3]C(Cl)Cl 201239028 UWGIJJRGSGDBFJ-UHFFFAOYSA-N 115.035 0.113 70 40 ACIB CNc1cncnc1OC1COC1 217583188 XEGWMMRGEOJOPW-UHFFFAOYSA-N 181.195 0.296 70 40 ACIB C[C]1C=CC(=[SiH2])C=C1 604936644 QOXUEQZJKYWWOC-UHFFFAOYSA-N 121.235 0.512 70 40 ACIB OB(c1ccccc1)c1ccccc1 169997429 VIGVRXYWWFPORY-UHFFFAOYSA-N 182.031 0.785 70 40 ACIB OB1c2ccccc2Oc2ccccc21 195780638 VXYFPDIBAOEMHM-UHFFFAOYSA-N 196.014 0.890 70 40 ACIB Nc1ncccc1S(=O)(=O)F 694687078 YYIDBEKQKSACDN-UHFFFAOYSA-N 176.172 0.322 70 40 ACIB O=S(=O)(F)C(F)F 100398971 OEDFBJZWAYJCHE-UHFFFAOYSA-N 134.078 0.508 70 40 ACIB in-vitro C[C@@H]1CCCN(S(=O)(=O)F)C1 1776011243 VKOLOWPLZGHQJU-ZCFIWIBFSA-N 181.232 0.933 70 40 ACIB N=C(N)COc1ccccc1NC=O 217370287 FKUKUWLUUMYNOL-UHFFFAOYSA-N 193.206 0.570 70 40 ACIB CC1(CS(=O)(=O)Cl)COC1 100220469 OFXCRGWRDCBDEJ-UHFFFAOYSA-N 184.644 0.592 70 40 ACIB in-vitro Nc1cccc(S(=O)(=O)F)n1 757565688 BTACBKKLVLEUPK-UHFFFAOYSA-N 176.172 0.322 70 40 ACIB C#CCS(=O)(=O)Cl 100499625 UQIBXRSXIGQTRE-UHFFFAOYSA-N 138.575 0.188 70 40 ACIB in-vitro O=S(=O)(F)CC1CCOCC1 100651770 DWTWFCFQDGUAGQ-UHFFFAOYSA-N 182.216 0.712 70 40 ACIB in-vitro Cc1nc(N)sc1S(=O)(=O)F 100458912 CFASUPGECVZBKV-UHFFFAOYSA-N 196.228 0.692 70 40 ACIB OB(S)c1ccccc1 198784252 DHOGTRYQLUNVQC-UHFFFAOYSA-N 138.000 0.304 70 40 ACIB Cc1ccc(N)c(CC(N)=O)c1 217782860 NSWQTJRIYHUWOT-UHFFFAOYSA-N 164.208 0.605 70 40 ACIB Cn1cc(C2=NN=C(O)[C@@H]3C[C@@H]23)cn1 217832056 WNHCBNWPBHZZTD-RNFRBKRXSA-N 190.206 0.730 70 40 ACIB C[SiH2]O[Si](C)(C)C 200071757 UHUUYVZLXJHWDV-UHFFFAOYSA-N 134.327 0.970 70 40 ACIB O=S(=O)(F)N1CC(CF)C1 1776011161 BYYZFLYDQWFJJM-UHFFFAOYSA-N 171.168 0.102 70 40 ACIB O=S(=O)(F)N1CCC[C@H](F)C1 1776011274 ZULRISMPUFYKCY-YFKPBYRVSA-N 185.195 0.635 70 40 ACIB CC(C)C(=O)N1CCC[C@@H](C(=N)N)C1 217357321 OCGLDBMRDMWRMW-MRVPVSSYSA-N 197.282 0.817 70 40 ACIB Cn1cc(N)c(F)n1 218733595 IDHILOLBTORGMA-UHFFFAOYSA-N 115.111 0.141 70 40 ACIB O=S(=O)(Cl)[C@@H]1CCCOC1 100180733 REOZIFJRADCIGH-RXMQYKEDSA-N 184.644 0.734 70 40 ACIB in-vitro FC1[C@@H]2CNC[C@@H]12 218380575 GZDUFGFBYSRRBS-QWWZWVQMSA-N 101.124 0.174 70 40 ACIB O=S(=O)(Cl)[C@H]1CCCNC1 100181023 WLUQVAITSLLLAT-YFKPBYRVSA-N 183.660 0.307 70 40 ACIB Cc1cc(CS(=O)(=O)F)no1 100627663 DXOWYDLFFKYMOF-UHFFFAOYSA-N 179.172 0.782 70 40 ACIB in-vitro C=CC[SiH](OC)OC 199868009 HAPKKYLOHNZLFM-UHFFFAOYSA-N 132.235 0.686 70 40 ACIB CC1(F)CN(S(=O)(=O)F)C1 1776011241 VKLOOUXKPNDQQS-UHFFFAOYSA-N 171.168 0.245 70 40 ACIB CCCC[SiH2] 585657591 LXONGAIZYYODFK-UHFFFAOYSA-N 87.218 0.838 70 40 ACIB [SiH3]OCC(Cl)(Cl)Cl 2356096468 REHGYDYERSLNAA-UHFFFAOYSA-N 179.506 0.654 70 40 ACIB CCOC(=O)c1ccn(C)c(=O)c1O 218310860 KKDABCINHWMCHU-UHFFFAOYSA-N 197.190 0.268 70 40 ACIB O=S(=O)(F)F 242581698 OBTWBSRJZRCYQV-UHFFFAOYSA-N 102.061 0.170 70 40 ACIB in-vitro N=C(N)[C@H]1CCCN(C(=O)C2CC2)C1 217357768 OPDABJRPLKUJHM-QMMMGPOBSA-N 195.266 0.571 70 40 ACIB Nc1ccc(S(=O)(=O)F)cc1 95736170 BPUKPIBWYZWYQV-UHFFFAOYSA-N 175.184 0.927 70 40 ACIB N=C(N)COc1ccc(NC=O)cc1 217370726 PUVYCONRFFWYPC-UHFFFAOYSA-N 193.206 0.570 70 40 ACIB N=C(N)c1ncc(C(F)(F)F)cn1 218730570 LEZXPOTXXFPAOZ-UHFFFAOYSA-N 190.128 0.779 70 40 ACIB C[C@H]1COCCN1S(=O)(=O)Cl 59321782 DCMYXTWQZNNSDO-YFKPBYRVSA-N 199.659 0.191 70 40 ACIB in-vitro O=S(=O)(F)c1cccnc1 97972432 POSVHXOPGVZFGL-UHFFFAOYSA-N 161.157 0.740 70 40 ACIB in-vitro C=CC(C=C)(C=C)CO[SiH3] 207753352 BSEYGCZUJLZKAX-UHFFFAOYSA-N 154.285 0.828 70 40 ACIB CC(C)CNC(=O)CC(=N)N 217739246 LNVZVQARCUMKLZ-UHFFFAOYSA-N 157.217 0.085 70 40 ACIB CCCCCNC(=O)CC(=N)N 217751187 YMEMVOLMHILIQM-UHFFFAOYSA-N 171.244 0.619 70 40 ACIB CC(C)CCNC(=O)CC(=N)N 217751304 YRXYTKCAZULWCH-UHFFFAOYSA-N 171.244 0.475 70 40 ACIB N=C(N)CC(=O)NCc1ccco1 217741541 PMTQHIBKSDNAFX-UHFFFAOYSA-N 181.195 0.222 70 40 ACIB CC(=O)O[SiH](C)C 195755386 NYMVBZHJSKIHQK-UHFFFAOYSA-N 118.208 0.533 70 40 ACIB O=S(=O)(F)c1ncccn1 100035364 HMZIGHBQOOGZAK-UHFFFAOYSA-N 162.145 0.135 70 40 ACIB in-vitro CCC(=O)N1CCC(C(=N)N)CC1 217355619 IAXRPSGJESBWLT-UHFFFAOYSA-N 183.255 0.571 70 40 ACIB O=S(=O)(Cl)c1nncs1 79185394 CIIBBRJFKALYAK-UHFFFAOYSA-N 184.629 0.466 70 40 ACIB O=S(=O)(F)c1nccs1 100452913 ZTEVDEORQHXCNV-UHFFFAOYSA-N 167.186 0.801 70 40 ACIB in-vitro CO[SiH](OC)[C@H]1CCCCO1 1537956354 TWZPYGYWJHLKKQ-ZETCQYMHSA-N 176.288 0.608 70 40 ACIB C[C@@H]1CCN(S(=O)(=O)Cl)C1 100475291 VHBMUTBWJORQJF-RXMQYKEDSA-N 183.660 0.812 70 40 ACIB in-vitro O=S(=O)(Cl)CBr 100580444 FXHWCQPYCGWOAW-UHFFFAOYSA-N 193.449 0.907 70 40 ACIB in-vitro O=S(=O)(Cl)Cc1ncc[nH]1 227087829 WBFGWAVXUZZMIP-UHFFFAOYSA-N 180.616 0.478 70 40 ACIB CC[C@H](C)NC(=O)CC(=N)N 217739430 XSZONQVBHJERKO-YFKPBYRVSA-N 157.217 0.227 70 40 ACIB C=Cc1ccc(B2NCCO2)cc1 195757191 QNDNKJNEJQVVET-UHFFFAOYSA-N 173.024 0.645 70 40 ACIB OC1=NN=C(c2cncnc2)[C@@H]2C[C@H]12 217831539 MQEJFABKWZDSND-RQJHMYQMSA-N 188.190 0.787 70 40 ACIB O=S(=O)(Cl)N1C[C@H]2CC[C@H]1C2 100640760 JTJDUIZFCHPANH-WDSKDSINSA-N 195.671 0.954 70 40 ACIB in-vitro CNC(=O)Cc1ccc(C)cc1N 217776600 RIMBUJLNSHRBOH-UHFFFAOYSA-N 178.235 0.866 70 40 ACIB O=C(NC[B-](F)(F)F)C1CC1 230830585 QZUPWADZVSGJSU-UHFFFAOYSA-N 165.931 0.899 70 40 ACIB C[C@H]1CCCN(S(=O)(=O)F)C1 1776011242 VKOLOWPLZGHQJU-LURJTMIESA-N 181.232 0.933 70 40 ACIB CCC[C@@H](C)NC(=O)CC(=N)N 217751422 RGWPVDIXNWKHCT-ZCFIWIBFSA-N 171.244 0.617 70 40 ACIB C[C@@H]1CCCN1S(=O)(=O)Cl 100491753 XDUTVEHZDSNVHL-RXMQYKEDSA-N 183.660 0.954 70 40 ACIB in-vitro O=S(=O)(F)c1ccnc(F)c1 1772716103 PJMTVMIMSGNOHS-UHFFFAOYSA-N 179.147 0.879 70 40 ACIB c1cc2c(cc1-n1cnnc1)OCO2 216872349 MTEHXYGMJCFFSE-UHFFFAOYSA-N 189.174 0.996 70 40 ACIB C[SiH](F)F 201154139 DZVMPZZLNXJNLL-UHFFFAOYSA-N 82.125 0.776 70 40 ACIB FC1[C@H]2CNC[C@H]12 218380495 GZDUFGFBYSRRBS-IMJSIDKUSA-N 101.124 0.174 70 40 ACIB [N-]=[N+]=NC(=O)c1n[nH]nc1Cl 13764156 QSOAEMUPIARSHO-UHFFFAOYSA-N 172.535 0.909 70 40 ACIB F[SiH](F)F 247691955 WPPVEXTUHHUEIV-UHFFFAOYSA-N 86.088 0.612 70 40 ACIB N#C[C@@H]1CCCN(S(=O)(=O)F)C1 1776011259 XGHXGMYXAWXGIB-LURJTMIESA-N 192.215 0.436 70 40 ACIB O=S(=O)(Cl)[C@H]1CCCOC1 100180729 REOZIFJRADCIGH-YFKPBYRVSA-N 184.644 0.734 70 40 ACIB in-vitro OC1=NN=C(c2cncnc2)[C@H]2C[C@@H]12 217831420 MQEJFABKWZDSND-NKWVEPMBSA-N 188.190 0.787 70 40 ACIB COS(=O)(=O)Cl 80164942 KNVLCWQKYHCADB-UHFFFAOYSA-N 130.552 0.116 70 40 ACIB O=S(=O)(F)c1ccc(Cl)nn1 100642811 KQCBZJQYJGOUOC-UHFFFAOYSA-N 196.590 0.788 70 40 ACIB in-vitro CO[C@H]1CCCN(S(=O)(=O)F)C1 1776011216 QBNSJAVTPLUQSG-LURJTMIESA-N 197.231 0.312 70 40 ACIB CC(=O)c1c[nH]c(C(=O)N(C)C)c1 217655573 CBCKNQCDPWLGSA-UHFFFAOYSA-N 180.207 0.919 70 40 ACIB Oc1ncnc2c1NCCS2 217467418 HLPIIJKIXASNPE-UHFFFAOYSA-N 169.209 0.700 70 40 ACIB CO[C@@H]1CCCN(S(=O)(=O)F)C1 1776011217 QBNSJAVTPLUQSG-ZCFIWIBFSA-N 197.231 0.312 70 40 ACIB C=COS(=O)(=O)C(F)(F)F 113560759 VDDXQSUSMHZCLS-UHFFFAOYSA-N 176.115 0.996 70 40 ACIB Cn1ccc(S(=O)(=O)Cl)c1 100024318 JMTCUBYVVPMUSP-UHFFFAOYSA-N 179.628 0.953 70 40 ACIB COCCCc1ccnc(O)n1 217788562 CEAPLHIGCDAMAP-UHFFFAOYSA-N 168.196 0.761 70 40 ACIB CCC(=O)N1CCC[C@@H](C(=N)N)C1 217357151 TYKXMKREDJPGRU-SSDOTTSWSA-N 183.255 0.571 70 40 ACIB Cc1cc(CS(=O)(=O)F)on1 100627670 CRFCEWRRXWQGKU-UHFFFAOYSA-N 179.172 0.782 70 40 ACIB O=C(F)C(F)(F)S(=O)(=O)F 95682139 YIHXQSQQJBEAKK-UHFFFAOYSA-N 180.078 0.375 70 40 ACIB COC[C@@H](C)CS(=O)(=O)Cl 100490784 BLPHXEISVIOFQG-RXMQYKEDSA-N 186.660 0.838 70 40 ACIB in-vitro O=S(=O)(F)N1CCC[C@@H](F)C1 1776011273 ZULRISMPUFYKCY-RXMQYKEDSA-N 185.195 0.635 70 40 ACIB N=C(N)C1(COC2CCOCC2)CC1 217796182 HOQQYZLNPJIHLM-UHFFFAOYSA-N 198.266 0.898 70 40 ACIB O=S(=O)(Cl)CC1COC1 221874352 YKOWCKUSQRRSSZ-UHFFFAOYSA-N 170.617 0.201 70 40 ACIB in-vitro CCCOS(=O)(=O)Cl 100340308 BUSLFAYJGWMERD-UHFFFAOYSA-N 158.606 0.897 70 40 ACIB NC(=O)c1cncc2ccoc12 218703992 FHSQSWUQTMNJBI-UHFFFAOYSA-N 162.148 0.927 70 40 ACIB [N-]=[N+]=NC(N)=O 104195805 BLNJZMQZYXWQGM-UHFFFAOYSA-N 86.054 0.375 70 40 ACIB COc1ncccc1S(=O)(=O)F 675066177 IOBSVQSONKJCPE-UHFFFAOYSA-N 191.183 0.748 70 40 ACIB Cn1cc(C2=NN=C(O)[C@@H]3C[C@H]23)cn1 217832213 WNHCBNWPBHZZTD-NKWVEPMBSA-N 190.206 0.730 70 40 ACIB O=S(=O)(Cl)NCC1CC1 104549557 FHULATHWKKYTQB-UHFFFAOYSA-N 169.633 0.470 70 40 ACIB CCc1nc2cnnc(O)c2o1 217722339 KPPXERRWEBQRMW-UHFFFAOYSA-N 165.152 0.886 70 40 ACIB O=S(=O)(Cl)N1CC[C@@H](F)C1 97976237 KIKDRXJNIMWUMX-SCSAIBSYSA-N 187.623 0.514 70 40 ACIB O=S(=O)(Cl)c1ncccn1 100085700 CULAGHAXBSYDOC-UHFFFAOYSA-N 178.600 0.404 70 40 ACIB [SiH3]/C=C/C(Cl)Cl 201096858 OCZBOZANXXLHTL-OWOJBTEDSA-N 141.073 0.669 70 40 ACIB CCOC(=O)c1ccn2cnnc2c1 218277424 MWPWHNUODSDIBR-UHFFFAOYSA-N 191.190 0.906 70 40 ACIB N#Cc1ncccc1S(=O)(=O)F 606257818 BELKYSFPWNZNBD-UHFFFAOYSA-N 186.167 0.611 70 40 ACIB N#Cc1cnccc1S(=O)(=O)F 694426393 BMRWBFNDBIJTHJ-UHFFFAOYSA-N 186.167 0.611 70 40 ACIB OC1=NN=C(c2cncnc2)[C@@H]2C[C@@H]12 217831362 MQEJFABKWZDSND-RNFRBKRXSA-N 188.190 0.787 70 40 ACIB C[C@@H](C(=O)N(C)C)S(=O)(=O)Cl 100547138 QBHOJSGSVGKIPZ-BYPYZUCNSA-N 199.659 0.032 70 40 ACIB in-vitro COC1CCN(S(=O)(=O)F)CC1 1776011249 WDRHVIDQJNAMOQ-UHFFFAOYSA-N 197.231 0.312 70 40 ACIB CN1CC[C@H](Oc2ncccn2)C1 218219288 HBARVWFJMMLNSH-QMMMGPOBSA-N 179.223 0.560 70 40 ACIB O=C1CCC(C(F)F)=NN1 217642676 CRPWYFKQAWNDQZ-UHFFFAOYSA-N 148.112 0.518 70 40 ACIB C1=CC[SiH2]C1 195754712 GTACVKZZKKFPSU-UHFFFAOYSA-N 84.194 0.562 70 40 ACIB CC(C)C(=O)O[SiH2]c1ccccc1 199867080 SXNCQWCKCVISDY-UHFFFAOYSA-N 194.306 0.595 70 40 ACIB CCOCCS(=O)(=O)F 78327302 IIVZXQVRRWKFIY-UHFFFAOYSA-N 156.178 0.322 70 40 ACIB F[Si](F)F 256055972 ATVLVRVBCRICNU-UHFFFAOYSA-N 85.080 0.880 70 40 ACIB O=S(=O)(Cl)c1cnoc1 100492501 QTUGUGPSTFTDBR-UHFFFAOYSA-N 167.573 0.602 70 40 ACIB in-vitro N=C(N)CC(=O)NC1CCCC1 217739789 WJGWHDKOMYDBLJ-UHFFFAOYSA-N 169.228 0.371 70 40 ACIB O=S(=O)(F)c1cccnc1F 675066437 JUYOTBNLBBPMGT-UHFFFAOYSA-N 179.147 0.879 70 40 ACIB Cn1ccc([B-](F)(F)F)n1 169985737 JGZOKQSWGLCOLY-UHFFFAOYSA-N 148.904 0.475 70 40 ACIB Nc1cncc([B-](F)(F)F)c1 169747728 NKDIWXVYAGUAGZ-UHFFFAOYSA-N 160.915 0.718 70 40 ACIB CCO[C@H]1C[C@H](NN)C1 216655818 QSNOVFKYDUZEOS-OLQVQODUSA-N 130.191 0.017 70 40 ACIB CC(C)C(=O)N1CCC[C@H](C(=N)N)C1 217357389 OCGLDBMRDMWRMW-QMMMGPOBSA-N 197.282 0.817 70 40 ACIB C[SiH](C)F 201281115 NZJOONTZXJXTOL-UHFFFAOYSA-N 78.162 0.939 70 40 ACIB O=S(=O)(F)CCn1cccn1 97957412 CFZIKEUKCQSPFO-UHFFFAOYSA-N 178.188 0.182 70 40 ACIB in-vitro CCOC([SiH3])=C(OCC)OCC 205876317 NVBKTGWWQBDICL-UHFFFAOYSA-N 190.315 0.588 70 40 ACIB [SiH3]C1CCCC1 195804520 IRRVTIDUSZWLNF-UHFFFAOYSA-N 100.237 0.714 70 40 ACIB COCCCCS(=O)(=O)Cl 80481107 FFNGZJPZIPGEAQ-UHFFFAOYSA-N 186.660 0.982 70 40 ACIB