smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cn1cccc1[C@@H](O)CCNC(=O)C(=O)NCCc1ccccc1 217947008 VODUPLJYWZRHBD-INIZCTEOSA-N 329.400 0.924 70 40 ECIB CCNC(=O)c1ccc(N2CCN(C)CC2)c(S(=O)(=O)NC)c1 216789193 KDNIAPLYXAOMEO-UHFFFAOYSA-N 340.449 0.096 70 40 ECIB Cn1nc(C(=O)NC[C@@H]2CCCN(c3nccs3)C2)ccc1=O 218145350 QXTSQFLLFKWNDE-NSHDSACASA-N 333.417 0.883 70 40 ECIB O=C(NC[C@@H]1CCCS1(=O)=O)N1CCC(Cn2cccn2)CC1 160297699 ZDJYMOQFZAACFW-AWEZNQCLSA-N 340.449 0.882 70 40 ECIB CC(CO)(CO)Cn1cc(-c2ccc(S(=O)(=O)F)cc2)nn1 1615570842 BHSSLICLYSTELD-UHFFFAOYSA-N 329.353 0.594 70 40 ECIB COC[C@](C)(O)CNC(=O)c1ccccc1S(=O)(=O)C(F)F 217570276 USQRBIATDYMTGE-CYBMUJFWSA-N 337.344 0.810 70 40 ECIB CN1CCC(NC(=O)CN(C2CCCCC2)S(C)(=O)=O)CC1 216808368 WCIUBALHVHCFHQ-UHFFFAOYSA-N 331.482 0.791 70 40 ECIB COc1ccc(C(=O)N2CCN(C)CC2)cc1NS(C)(=O)=O 216844465 OSZSJIXKVOINHC-UHFFFAOYSA-N 327.406 0.454 70 40 ECIB Cc1nnsc1C(=O)N1Cc2cnc(N3CCOCC3)nc2C1 217606964 OGZLNQDJIPGTTL-UHFFFAOYSA-N 332.389 0.629 70 40 ECIB CNS(=O)(=O)c1cc(C(=O)NC2CCN(C)CC2)ccc1OC 216841311 RUZNIQPQKHMDIZ-UHFFFAOYSA-N 341.433 0.427 70 40 ECIB COC(=O)[C@H]1C[C@@H](OC)CN1S(=O)(=O)c1cc(F)ccc1OC 217604396 OFDULHMSVWJNGE-GHMZBOCLSA-N 347.364 0.785 70 40 ECIB O=C(Nc1cc(N2CCCC2)ncn1)c1ccc(-n2cncn2)nn1 217548583 CMVHXJPAHMMTFQ-UHFFFAOYSA-N 337.347 0.700 70 40 ECIB COC(=O)CS[C@@H]1CCN(S(=O)(=O)c2c(C)noc2C)C1 217566503 YSRRTQWVVRGEPV-SNVBAGLBSA-N 334.419 0.961 70 40 ECIB Cc1cc(=O)n2nc(CCC(=O)N[C@H](CO)c3ccccc3)nc2[nH]1 218226036 RCUFVHAWAMODNK-CYBMUJFWSA-N 341.371 0.508 70 40 ECIB O=C1[C@H]2[C@H]3C=C[C@H]([C@@H]4C(=O)N(C5CC5)C(=O)[C@@H]43)[C@H]2C(=O)N1C1CC1 217490475 ZMSGHQLQIRFNQR-XUYNTYLMSA-N 326.352 0.329 70 40 ECIB Cn1cccc(C(=O)N2Cc3cnc(N4CCOCC4)nc3C2)c1=O 217607634 MVHDIZPXODSFLV-UHFFFAOYSA-N 341.371 0.168 70 40 ECIB CCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCN(C)CC2)c1 216782967 YDEQWKXTTMYPDZ-UHFFFAOYSA-N 341.433 0.381 70 40 ECIB Cn1cc(S(=O)(=O)N2CCCN(C(=O)c3ccco3)CC2)cn1 217967199 MHWIFOGEHYXCJM-UHFFFAOYSA-N 338.389 0.550 70 40 ECIB Cn1nnnc1COc1ccc(S(=O)(=O)Cl)cc1C(=O)O 110749330 KXNUFKCQFPZDDI-UHFFFAOYSA-N 332.725 0.415 70 40 ECIB O=S(=O)(F)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@@H](O)[C@H]3C2)cc1 1614994795 ILRGNBNKIUQWII-KPXOXKRLSA-N 335.378 0.346 70 40 ECIB O=C1CCN(S(=O)(=O)c2ccc(F)c(S(=O)(=O)F)c2)CC1 1776011198 MAOFTNTVHGPBHF-UHFFFAOYSA-N 339.341 0.838 70 40 ECIB Cn1nc(C(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)ccc1=O 217673098 JTFYWTGDJLLEBK-UHFFFAOYSA-N 336.355 0.736 70 40 ECIB Cc1cc(C(=O)N2CCN(c3cc(-n4cncn4)ncn3)CC2)no1 218635170 YTKNCLJTZHPYLJ-UHFFFAOYSA-N 340.347 0.316 70 40 ECIB CN1CCC(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)CC1 216806652 AICZCUHSUKBQND-UHFFFAOYSA-N 339.461 0.659 70 40 ECIB O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1c[nH]c(=O)[nH]1 218278312 YICREXRIVVQBDJ-NSHDSACASA-N 341.327 0.992 70 40 ECIB Cc1noc(C)c1S(=O)(=O)N1CC[C@H](N2C(=O)CSC2=O)C1 217787699 GQEFSNHVILZJHI-VIFPVBQESA-N 345.402 0.750 70 40 ECIB Cc1ccc(C(=O)NC2CC2)cc1S(=O)(=O)N1CCN(C)CC1 216855987 ZEWYNGIFBBOZAY-UHFFFAOYSA-N 337.445 0.823 70 40 ECIB Cn1cccc1[C@@H](O)CCNC(=O)C(=O)Nc1ccc2c(c1)OCO2 217948138 IKHUEIIKWFXSPQ-ZDUSSCGKSA-N 345.355 0.932 70 40 ECIB Cc1noc(-c2cn(CCNC(=O)c3ccc4c(c3)OCO4)nn2)n1 217466023 NDSGTHOZKGNLCW-UHFFFAOYSA-N 342.315 0.795 70 40 ECIB Cn1cccc1[C@H](O)CCNC(=O)C(=O)Nc1ccc2c(c1)OCO2 217948045 IKHUEIIKWFXSPQ-CYBMUJFWSA-N 345.355 0.932 70 40 ECIB O=S(=O)(c1cccnc1)N1CCN(Cc2ccc(CO)o2)CC1 159889051 DSTMLHFDKDDFLA-UHFFFAOYSA-N 337.401 0.673 70 40 ECIB COC(=O)[C@H]1C[C@H](OC)CN1S(=O)(=O)c1cc(F)ccc1OC 217604466 OFDULHMSVWJNGE-WDEREUQCSA-N 347.364 0.785 70 40 ECIB O=S(=O)(F)c1ccc(S(=O)(=O)N2C[C@H]3[C@H](O)C[C@H]3C2)cc1 1614994799 ILRGNBNKIUQWII-XXILOJSOSA-N 335.378 0.346 70 40 ECIB CC(C)N1C[C@H](C)[C@@H](NC(=O)CNS(=O)(=O)c2cccs2)C1 161283111 SLQGURQMKZZOKB-RYUDHWBXSA-N 345.490 0.871 70 40 ECIB COC(=O)[C@H]1C[C@@H](OC)CN1C(=O)Cc1ccc(NC(C)=O)cc1 217603703 DVGGZNFUEGXQHQ-HUUCEWRRSA-N 334.372 0.976 70 40 ECIB O=S(=O)(F)c1ccc(S(=O)(=O)N[C@@H]2CCC[C@H](O)C2)cc1 1614995097 YOSCCQKSFBFAFY-ZJUUUORDSA-N 337.394 0.927 70 40 ECIB CC(C)c1nc(S(=O)(=O)NCC[C@@H](O)C2CCOCC2)cn1C 217926485 JBOMGFQMGPEWRO-CYBMUJFWSA-N 345.465 0.999 70 40 ECIB O=S(=O)(F)c1ccc(S(=O)(=O)N2C[C@H]3[C@@H](O)C[C@H]3C2)cc1 1614994779 ILRGNBNKIUQWII-AXTRIDKLSA-N 335.378 0.346 70 40 ECIB O=C(Nn1cnnc1)c1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 217428055 SIMYSVHBWCLMHU-QHSBEEBCSA-N 349.350 0.974 70 40 ECIB CCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(C)CC2)c1 216853320 FREQFZZZPXUEGB-UHFFFAOYSA-N 325.434 0.681 70 40 ECIB CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Cl)c([N+](=O)[O-])c1 100567433 JMPGNWKXMDCHET-UHFFFAOYSA-N 328.755 0.773 70 40 ECIB Cn1cccc1[C@H](O)CCNC(=O)C(=O)NCCc1ccccc1 217946915 VODUPLJYWZRHBD-MRXNPFEDSA-N 329.400 0.924 70 40 ECIB Cc1ccc(S(=O)(=O)Cl)cc1S(=O)(=O)N1CCOCC1 100560556 TYFCEWCLVSHJOH-UHFFFAOYSA-N 339.822 0.943 70 40 ECIB O=C(CCS(=O)(=O)c1ccccc1)N1CC[C@H](n2ccnn2)C1 217686942 NHQHZISNDVQDFN-ZDUSSCGKSA-N 334.401 0.916 70 40 ECIB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NC1CC1 216862247 WNBZQDOUEBAQPQ-UHFFFAOYSA-N 337.445 0.823 70 40 ECIB Cc1cc(OC2CCN(S(=O)(=O)N(C)C)CC2)cc(=O)n1C 217779496 IVGUJXGBGLXDAO-UHFFFAOYSA-N 329.422 0.343 70 40 ECIB COc1ccc(N2C(=O)CCS2(=O)=O)cc1S(=O)(=O)Cl 100649831 GVOPNPVDBHAKLS-UHFFFAOYSA-N 339.778 0.689 70 40 ECIB COC[C@@](C)(O)CNC(=O)c1ccccc1S(=O)(=O)C(F)F 217570336 USQRBIATDYMTGE-ZDUSSCGKSA-N 337.344 0.810 70 40 ECIB O=S(=O)(F)c1cc(S(=O)(=O)N2CC[C@@H](O)C2)ccc1F 1776011194 LEIFIVMVLIBEFF-SSDOTTSWSA-N 327.330 0.239 70 40 ECIB CCS(=O)(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC 216844507 WUMRLFQNRLEYRZ-UHFFFAOYSA-N 341.433 0.844 70 40 ECIB CN1CCN(S(=O)(=O)c2ccc(NC(=O)N(C)C)cc2)CC1 216795602 ITVJWMIBGUVGSN-UHFFFAOYSA-N 326.422 0.716 70 40 ECIB COC[C@@](C)(O)CNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C 217572220 DATCSLHSMNARMP-CQDKDKBSSA-N 333.450 0.699 70 40 ECIB Cc1cccc(S(=O)(=O)NCC(=O)N2CCc3ncncc3C2)c1 217626840 QUJGMAGVAYJCLE-UHFFFAOYSA-N 346.412 0.648 70 40 ECIB C[C@@]1(O)CCN(S(=O)(=O)c2ccc(F)c(S(=O)(=O)F)c2)C1 1776011277 ZWHAUTJKSRLEMX-LLVKDONJSA-N 341.357 0.629 70 40 ECIB COC(=O)[C@@H]1CCc2nc3ccc(S(=O)(=O)Cl)cc3c(=O)n21 256051477 JHMCZIXPHKHIJW-JTQLQIEISA-N 342.760 0.984 70 40 ECIB COC(=O)CS[C@H]1CCN(S(=O)(=O)c2c(C)noc2C)C1 217566403 YSRRTQWVVRGEPV-JTQLQIEISA-N 334.419 0.961 70 40 ECIB Cc1cc(C(=O)N2CCC(S(=O)(=O)c3nccn3C)CC2)no1 217695542 ZGZFDVXCOMQHOQ-UHFFFAOYSA-N 338.389 0.795 70 40 ECIB Cn1cc(S(=O)(=O)NC[C@@H](O)c2cn(C)c3ccccc23)cn1 217576559 FHGKNTSMXILZNA-OAHLLOKOSA-N 334.401 0.924 70 40 ECIB C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCN(C)C(=O)C1 159966372 GVRGHNHWOGDCAA-ZBFHGGJFSA-N 330.432 0.991 70 40 ECIB Cc1noc(C)c1S(=O)(=O)N1CC[C@@H](N2C(=O)CSC2=O)C1 217787777 GQEFSNHVILZJHI-SECBINFHSA-N 345.402 0.750 70 40 ECIB COC(=O)[C@H]1CCc2nc3ccc(S(=O)(=O)Cl)cc3c(=O)n21 256051478 JHMCZIXPHKHIJW-SNVBAGLBSA-N 342.760 0.984 70 40 ECIB CCCCCS(=O)(=O)[C@@]12[C@@H](O)CS(=O)(=O)[C@@H]1[C@@H]1C=C[C@H]2C1 217616960 YFJIVNGJHLTYHH-HTOAHKCRSA-N 334.459 0.694 70 40 ECIB O=S(=O)(F)c1cc(S(=O)(=O)N2CC[C@H](O)C2)ccc1F 1776011195 LEIFIVMVLIBEFF-ZETCQYMHSA-N 327.330 0.239 70 40 ECIB Cc1noc(-c2cn(CCNC(=O)c3cc(C4CC4)[nH]n3)nn2)n1 217467719 NAFHJABFSPGPJU-UHFFFAOYSA-N 328.336 0.667 70 40 ECIB CC(=O)NCC(=O)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1 218278743 NWHMDMGPHSAYJK-CYBMUJFWSA-N 330.344 0.798 70 40 ECIB CC[C@@H](C)[C@@H](CO)NC(=O)C[C@@H]1NC(=O)N(Cc2ccco2)C1=O 217728272 NVQYZSWUOLIUIR-KGYLQXTDSA-N 337.376 0.613 70 40 ECIB biogenic CN1CCN(C(=O)/C=C/c2ccc(CN(C)S(C)(=O)=O)o2)CC1 216781911 STNLTAOYSIXHHP-VOTSOKGWSA-N 341.433 0.458 70 40 ECIB C[C@]1(O)CCN(S(=O)(=O)c2ccc(F)c(S(=O)(=O)F)c2)C1 1776011278 ZWHAUTJKSRLEMX-NSHDSACASA-N 341.357 0.629 70 40 ECIB O=S(=O)(Cl)c1cccc(S(=O)(=O)N2CCOCC2)c1 59061980 PKDMEOYWCQRFNC-UHFFFAOYSA-N 325.795 0.635 70 40 ECIB O=C1[C@@H]2[C@H](C(=O)N1C1CC1)[C@@H]1C=C[C@H]2[C@H]2C(=O)N(C3CC3)C(=O)[C@H]12 217490648 ZMSGHQLQIRFNQR-LEZGYBIHSA-N 326.352 0.329 70 40 ECIB O=C(COc1ccc(S(=O)(=O)Cl)cc1F)N1CCOCC1 110749235 QUIXDRIPXXIMAP-UHFFFAOYSA-N 337.756 0.991 70 40 ECIB NC1CCN(S(=O)(=O)c2ccc(F)c(S(=O)(=O)F)c2)CC1 1776011244 VRFBLQXJZPJQPC-UHFFFAOYSA-N 340.373 0.596 70 40 ECIB COc1ccc(CC(=O)N2CC(N3C(=O)CCC3=O)C2)cc1OC 217715826 QQYZIXQEFSJVGY-UHFFFAOYSA-N 332.356 0.606 70 40 ECIB COC[C@](C)(O)CNS(=O)(=O)c1ccc(NC(=O)OC)cc1 217571962 RSGKNGQUDKPWFF-CYBMUJFWSA-N 332.378 0.541 70 40 ECIB COC(=O)[C@@H]1C[C@H](OC)CN1C(=O)Cc1ccc(NC(C)=O)cc1 217603942 DVGGZNFUEGXQHQ-GJZGRUSLSA-N 334.372 0.976 70 40 ECIB O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1c[nH]c(=O)[nH]1 218278358 YICREXRIVVQBDJ-LLVKDONJSA-N 341.327 0.992 70 40 ECIB CN(CC(=O)Nc1cnn(CC2CCOCC2)c1)S(C)(=O)=O 218224864 HTSDOMFZSBMTGG-UHFFFAOYSA-N 330.410 0.140 70 40 ECIB CN1CCC(NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)CC1 216807183 DDYGKMLCRDNDDA-UHFFFAOYSA-N 343.424 0.657 70 40 ECIB CC(C)c1nc(S(=O)(=O)NCC[C@H](O)C2CCOCC2)cn1C 217926407 JBOMGFQMGPEWRO-ZDUSSCGKSA-N 345.465 0.999 70 40 ECIB O=C(CCS(=O)(=O)c1ccccc1)N1CC[C@@H](n2ccnn2)C1 217687024 NHQHZISNDVQDFN-CYBMUJFWSA-N 334.401 0.916 70 40 ECIB O=S(=O)(F)c1ccc(S(=O)(=O)N[C@H]2CCC[C@@H](O)C2)cc1 1614995096 YOSCCQKSFBFAFY-VHSXEESVSA-N 337.394 0.927 70 40 ECIB Cn1cc(S(=O)(=O)NC[C@H](O)c2cn(C)c3ccccc23)cn1 217576624 FHGKNTSMXILZNA-HNNXBMFYSA-N 334.401 0.924 70 40 ECIB COc1ccccc1OCC(=O)N1CC(N2C(=O)CSC2=O)C1 217743757 JPQSAMWBFJOWIF-UHFFFAOYSA-N 336.369 0.980 70 40 ECIB CC(C)n1cnc(S(=O)(=O)N2CC(N3C(=O)CSC3=O)C2)c1 217750662 YYPNXXJZHSMQPA-UHFFFAOYSA-N 344.418 0.532 70 40 ECIB CC(=O)NCC(=O)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 218278800 NWHMDMGPHSAYJK-ZDUSSCGKSA-N 330.344 0.798 70 40 ECIB Cc1ccc(C(=O)N(C)C)cc1S(=O)(=O)N1CCN(C)CC1 216853666 UISGVMCEEXQNOT-UHFFFAOYSA-N 325.434 0.633 70 40 ECIB CCNS(=O)(=O)c1cc(C(=O)NC)ccc1N1CCN(C)CC1 216792426 QBTSIUACOMKQLH-UHFFFAOYSA-N 340.449 0.096 70 40 ECIB Cc1nc(C)c(CC(=O)N2C[C@@H](O)[C@H](N3CCOCC3)C2)s1 216722374 JMURIHZLFVURMY-CHWSQXEVSA-N 325.434 0.206 70 40 ECIB COC[C@@](C)(O)CNS(=O)(=O)c1ccc(NC(=O)OC)cc1 217572052 RSGKNGQUDKPWFF-ZDUSSCGKSA-N 332.378 0.541 70 40 ECIB C[C@](O)(CNC(=O)CN1C(=O)CCC1=O)c1cc2ccccc2o1 217985519 HOBOMJCAVKJNHN-KRWDZBQOSA-N 330.340 0.906 70 40 ECIB O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]2C(=O)N1C1CC1)[C@H]1C(=O)N(C2CC2)C(=O)[C@@H]31 217490559 ZMSGHQLQIRFNQR-WHCZJHEKSA-N 326.352 0.329 70 40 ECIB Cn1nc(C(=O)NC[C@H]2CCCN(c3nccs3)C2)ccc1=O 218145421 QXTSQFLLFKWNDE-LLVKDONJSA-N 333.417 0.883 70 40 ECIB COC(=O)[C@H]1C[C@H](OC)CN1C(=O)Cc1ccc(NC(C)=O)cc1 217603787 DVGGZNFUEGXQHQ-LSDHHAIUSA-N 334.372 0.976 70 40 ECIB CN1CCC(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 216938136 PZZFSOVKQXGDIU-UHFFFAOYSA-N 337.401 0.042 70 40 ECIB O=S(=O)(F)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 1776011269 ZHRCAZNBWYCZGI-UHFFFAOYSA-N 327.330 0.505 70 40 ECIB Cn1nnnc1SCC(=O)Nc1cnn(CC2CCOCC2)c1 218198982 XNUHTKGXJXKLFS-UHFFFAOYSA-N 337.409 0.564 70 40 ECIB O=C(c1cnn(-c2ccccc2)n1)N1CC(N2C(=O)CSC2=O)C1 217745537 AMXVTFHAVXGERU-UHFFFAOYSA-N 343.368 0.787 70 40 ECIB O=C1CSC(=O)N1C1CN(S(=O)(=O)CCc2ccccc2)C1 217748942 PKXNYFAAHCWMGD-UHFFFAOYSA-N 340.426 0.939 70 40 ECIB O=C(NC[C@H]1CCCS1(=O)=O)N1CCC(Cn2cccn2)CC1 160297830 ZDJYMOQFZAACFW-CQSZACIVSA-N 340.449 0.882 70 40 ECIB CN1CCN(c2cc(Nc3ccc(S(N)(=O)=O)cc3)ncn2)CC1 216847951 CKXIHMHMEZGOOH-UHFFFAOYSA-N 348.432 0.619 70 40 ECIB O=S(=O)(F)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H](O)[C@H]3C2)cc1 1614994797 ILRGNBNKIUQWII-UWJYBYFXSA-N 335.378 0.346 70 40 ECIB Cc1noc(-c2cn(CCNC(=O)c3n[nH]c4ccccc34)nn2)n1 217466947 MTMIEHYHQLSMEZ-UHFFFAOYSA-N 338.331 0.943 70 40 ECIB O=S(=O)(F)c1ccc(S(=O)(=O)N[C@H]2CCC[C@H](O)C2)cc1 1614995094 YOSCCQKSFBFAFY-UWVGGRQHSA-N 337.394 0.927 70 40 ECIB COC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)Cc1ccc(NC(C)=O)cc1 217603868 DVGGZNFUEGXQHQ-CABCVRRESA-N 334.372 0.976 70 40 ECIB CCN(CC(=O)NC1CCN(C)CC1)S(=O)(=O)c1ccccc1 216812088 FTZOAFJAUKZMRO-UHFFFAOYSA-N 339.461 0.908 70 40 ECIB CN(CC(=O)NCCn1ccc(-c2ccsc2)n1)S(C)(=O)=O 217888517 WSWZBBXBZZFWHW-UHFFFAOYSA-N 342.446 0.619 70 40 ECIB Cc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCN(C)CC2)cc1 216798635 FKZFLNRHSXGCJK-UHFFFAOYSA-N 339.461 0.826 70 40 ECIB CS(=O)(=O)c1cc(S(C)(=O)=O)cc(S(=O)(=O)Cl)c1 95696966 YLMOZIYTYSWBAO-UHFFFAOYSA-N 332.808 0.421 70 40 ECIB COc1ncccc1C(=O)NC1C[C@@H]2CC[C@H](C1)N2S(C)(=O)=O 217682077 APYANANEZWBNRR-YOGCLGLASA-N 339.417 0.775 70 40 ECIB C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCN(C)C(=O)C1 159966496 GVRGHNHWOGDCAA-HOCLYGCPSA-N 330.432 0.991 70 40 ECIB Cc1noc(-c2cn(CCNC(=O)c3n[nH]c4c3CCCC4)nn2)n1 217466350 ZWOBGCVLHVJQLN-UHFFFAOYSA-N 342.363 0.668 70 40 ECIB O=C1OC2(CCN(C(=O)Cn3ncccc3=O)CC2)c2ccccc21 217535534 CUDSICZNTNVJMO-UHFFFAOYSA-N 339.351 0.932 70 40 ECIB O=S(=O)(F)c1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H](O)C2)cc1 1614995090 YOSCCQKSFBFAFY-NXEZZACHSA-N 337.394 0.927 70 40 ECIB CCS(=O)(=O)C1CN(S(=O)(=O)c2cccc3nsnc23)C1 217791725 OQXIOQSYWJNMLN-UHFFFAOYSA-N 347.443 0.499 70 40 ECIB C[C@@](O)(CNC(=O)CN1C(=O)CCC1=O)c1cc2ccccc2o1 217985425 HOBOMJCAVKJNHN-QGZVFWFLSA-N 330.340 0.906 70 40 ECIB O=[N+]([O-])C(F)(F)COS(=O)(=O)c1cccc(S(=O)(=O)F)c1 100495652 SEQNZSPLJSBMGY-UHFFFAOYSA-N 349.264 0.920 70 40 ECIB Cc1cc(=O)n(CCNS(=O)(=O)CCOc2ccccc2)cn1 217477564 NDYUJCDGVHKFRC-UHFFFAOYSA-N 337.401 0.550 70 40 ECIB COc1ncccc1C(=O)N1Cc2cnc(N3CCOCC3)nc2C1 217612349 HBHUVSIWSDPDSX-UHFFFAOYSA-N 341.371 0.873 70 40 ECIB O=S(=O)(F)c1cc(S(=O)(=O)N2CCNCC2)ccc1F 1776011178 GOGUAUMEDWUWGO-UHFFFAOYSA-N 326.346 0.078 70 40 ECIB O=C(On1nnc2c(O)cccc21)On1nnc2c(O)cccc21 100799581 UOZMSHOAXLGMEH-UHFFFAOYSA-N 328.244 0.265 70 40 ECIB O=C(c1ccncc1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 218622122 RBVBVJFZUNQXKG-UHFFFAOYSA-N 336.359 0.415 70 40 ECIB O=C1CCC(=O)N1C1CN(S(=O)(=O)c2cccc3cccnc23)C1 217718063 ONNQOXMPLLJBFJ-UHFFFAOYSA-N 345.380 0.757 70 40 ECIB O=C(NNS(=O)(=O)c1cccc(S(=O)(=O)F)c1)C1CCC1 584908798 DXSATMMGSKLAIL-UHFFFAOYSA-N 336.366 0.454 70 40 ECIB CC(C)N1C[C@@H](C)[C@@H](NC(=O)CNS(=O)(=O)c2cccs2)C1 161282999 SLQGURQMKZZOKB-NEPJUHHUSA-N 345.490 0.871 70 40 ECIB O=S(=O)(c1cccnc1)N1Cc2cnc(N3CCOCC3)nc2C1 217615483 JENHYZJWVFDZOX-UHFFFAOYSA-N 347.400 0.413 70 40 ECIB CCCCCS(=O)(=O)[C@@]12[C@H](O)CS(=O)(=O)[C@@H]1[C@@H]1C=C[C@H]2C1 217617040 YFJIVNGJHLTYHH-ITGHMWBKSA-N 334.459 0.694 70 40 ECIB COc1ccc(CNC(=O)N2CC(N3C(=O)CCC3=O)C2)cc1OC 217717378 SMWPZLGLNDVOIS-UHFFFAOYSA-N 347.371 0.747 70 40 ECIB