smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCN(CC)CCOc1ccc(Cl)c(Cl)c1 1584400 LOVYCUYJRWLTSU-UHFFFAOYSA-N 262.180 3.714 0 30 CHAC C=C1c2ccccc2CCc2cccc(CCN(C)C)c21 2008520 MCNIVZWPLUFFNI-UHFFFAOYSA-N 277.411 3.951 0 30 CHAC CC1(C)CCc2cc(-c3cc[nH]c(=S)n3)ccc2O1 15919735 NFFZKBBOZJUKMH-UHFFFAOYSA-N 272.373 3.910 0 30 CHAC CC[C@H](C)COC(=O)COc1ccc(Cl)cc1C 38652576 LTPSLOILDMNPRQ-JTQLQIEISA-N 270.756 3.617 0 30 CHAC CN1C2=C(CC3=C1c1ccccc1C3=O)C(=O)c1ccccc12 493002 PBTZYVSYYGJICV-UHFFFAOYSA-N 299.329 3.537 0 30 CHAC CC[C@H](C(=O)O)c1ccc(C(=O)c2cccs2)cc1 38613650 XSSMMNDGAZJDIQ-LBPRGKRZSA-N 274.341 3.557 0 30 CHAC Cc1ccccc1C(=O)Oc1ccc(-c2csnn2)cc1 106814 QXXZINYBQQLSAR-UHFFFAOYSA-N 296.351 3.733 0 30 CHAC O=C(O)Cc1cc(F)cc(-c2ccc(Cl)cc2)c1 1854364 FSIYMCRJTJQYEW-UHFFFAOYSA-N 264.683 3.773 0 30 CHAC Brc1ccc2c(c1)CC[C@]21OCCCS1 15042554 RQBCYRANQJUCEN-GFCCVEGCSA-N 285.206 3.702 0 30 CHAC COC(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)nc1 116173122 HXWIOSJMKZPTSL-UHFFFAOYSA-N 297.232 3.679 0 30 CHAC CC(=O)O[C@H](C)[C@H]1C[C@H]2C=C(C)[C@H]1C[C@H]2C(C)C 256082951 FBJZZRLZTRJKPC-YMILTQATSA-N 250.382 3.813 0 30 CHAC O=C1c2ccccc2-c2n[nH]c3c(Br)ccc1c23 263583887 DDUKJEMIWLXWBB-UHFFFAOYSA-N 299.127 3.537 0 30 CHAC OC1=C(O)CC2=C[C@H]3CCc4cc(O)ccc4[C@@H]3C2=C1 60116690 JLVLSSLAEKLION-BMLIUANNSA-N 268.312 3.636 0 30 CHAC C(=Cc1ccccc1)COc1n[nH]c(-c2ccccc2)n1 2265279814 FAGRERZVOQEROK-UHFFFAOYSA-N 277.327 3.564 0 30 CHAC CN(C)CC[C@H](O)c1ccc(-c2ccc(Cl)cc2)cc1 2005608 ANSGWMFERFVEAF-KRWDZBQOSA-N 289.806 3.992 0 30 CHAC COc1ccncc1[Si](C(C)C)(C(C)C)C(C)C 195849990 PJUGBVIUBHMXLS-UHFFFAOYSA-N 265.473 3.976 0 30 CHAC Cc1c(Br)cccc1OC(F)(F)F 145005151 LQVSJNJHFKGLEH-UHFFFAOYSA-N 255.033 3.656 0 30 CHAC COc1c(Cl)c(Cl)c(N)c(Cl)c1Cl 5998572 MBYRIGCRDZOZTI-UHFFFAOYSA-N 260.935 3.891 0 30 CHAC Cc1ccc(NC(=S)N2CCC(C)CC2)cc1C 128676 PMVWUXVQTCVQTF-UHFFFAOYSA-N 262.422 3.732 0 30 CHAC CC[C@H](NCc1ccccc1)[C@H](c1ccccc1)N(C)C 33639204 SVLHBGQWBVOVKE-OALUTQOASA-N 282.431 3.858 0 30 CHAC Fc1ccc2c(Br)cnc(Cl)c2c1 82767443 QMJDYOOSBFYAQD-UHFFFAOYSA-N 260.493 3.790 0 30 CHAC CCC[C@@H]1[C@H](CC)C=NN1C(=S)Nc1ccccc1 33847182 QQQSNWKFFBJJGP-TZMCWYRMSA-N 275.421 3.880 0 30 CHAC COC(=O)c1ccc(-c2ccc(Cl)cc2)s1 171671 JZCUTYCKIFLPKV-UHFFFAOYSA-N 252.722 3.855 0 30 CHAC COc1ccc([C@@H]2OCC(C)(C)[C@H](C(C)C)O2)cc1 1641664 SAPSRDCAWQTFLZ-LSDHHAIUSA-N 264.365 3.791 0 30 CHAC CN(Cc1ccccc1)C[C@H]1SC(=O)c2ccccc21 33877672 RVUHERNEVDWMBK-MRXNPFEDSA-N 283.396 3.747 0 30 CHAC C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](N)CC[C@H]12 61946621 WDTAJXMIXADUTH-FMKNUBLKSA-N 291.479 3.717 0 30 CHAC biogenic Cc1c(O)c(C)c2sc(NC(=O)C(C)C)nc2c1C 96346723 WBIYGYSUPYURMC-UHFFFAOYSA-N 278.377 3.522 0 30 CHAC Cc1[nH]c2ccccc2c1[C@H](NO)c1cccs1 1536221404 CKGMFEJPURQNBH-CQSZACIVSA-N 258.346 3.606 0 30 CHAC COc1ccccc1C1=CCN(Cc2ccccc2)CC1 22005466 XELFGRDOLBWGTB-UHFFFAOYSA-N 279.383 3.985 0 30 CHAC O=c1c(Cl)c(Cl)sn1C1CCCCC1 1850339 JRQLZCFSWYQHPI-UHFFFAOYSA-N 252.166 3.722 0 30 CHAC O=C(O)CCc1ccc2sc(-c3ccccc3)nc2c1 2005047 NKOLMUVZDOHNNB-UHFFFAOYSA-N 283.352 3.981 0 30 CHAC O=C(O)c1cc(Cl)nc(Oc2ccc(Cl)cc2)c1 37373198 IISICZHEWQNQSN-UHFFFAOYSA-N 284.098 3.879 0 30 CHAC Nc1ccc(/N=N/c2ccc(O)c(C(=O)O)c2)c(Cl)c1 111851587 GMBLZWHNZWDEEJ-WUKNDPDISA-N 291.694 3.741 0 30 CHAC O=C(c1cccs1)N1CCCC[C@@H]1c1ccccn1 155901 SZAOKJLYLLSFHR-CYBMUJFWSA-N 272.373 3.511 0 30 CHAC CCOC(=O)c1c(O)cccc1/C=C/c1ccccc1 34722843 RLCIBDMBUMIIMC-VAWYXSNFSA-N 268.312 3.739 0 30 CHAC Cc1ccc(-c2csc3nnc(C(F)(F)F)n23)cc1 120432 PVDCXMQGMDYKLE-UHFFFAOYSA-N 283.278 3.785 0 30 CHAC COc1ccc(C(=O)[C@H](C)CC(=O)c2ccccc2)cc1 134840 ROBGURBZBOUCOX-CYBMUJFWSA-N 282.339 3.787 0 30 CHAC Cc1cc(CNC(=O)Nc2csc3ccccc23)no1 159408 BVFLUSOXLVVJGV-UHFFFAOYSA-N 287.344 3.519 0 30 CHAC CC(=O)OCC[C@H](c1ccccc1)c1cc(C)ccc1O 504352883 STMWQZRVSXBBEM-MRXNPFEDSA-N 284.355 3.786 0 30 CHAC in-vitro Cc1ccc([C@@H](O)[C@@H](C)C(=O)c2ccccc2)cc1 21996855 VMHIDNSPRCRSKI-GUYCJALGSA-N 254.329 3.547 0 30 CHAC Fc1ccccc1-n1ncnc1C=Cc1ccccc1 2265276170 GOYGPKIGFAOMTJ-UHFFFAOYSA-N 265.291 3.577 0 30 CHAC COc1cccc(Nc2ccc(-c3ccccc3)nn2)c1 87686 LCTBZXCJYDAQDU-UHFFFAOYSA-N 277.327 3.896 0 30 CHAC Cc1onc(-c2ccccc2)c1CN1CCCCC1 148085 WNJZRDAMPJNRFY-UHFFFAOYSA-N 256.349 3.636 0 30 CHAC Cc1ccc(CO)c(C(F)(F)F)c1C(F)(F)F 575379554 HBZOLAFKPFLUML-UHFFFAOYSA-N 258.161 3.525 0 30 CHAC CC(C)C[C@@H](C)OP(=O)(O)O[C@H](C)CC(C)C 44712499 YGTBMOOSDOYPEI-VXGBXAGGSA-N 266.318 3.989 0 30 CHAC O=C(Cn1ccnc1)c1ccc(Oc2ccccc2)cc1 27762876 DTLBEUTZQKHVFI-UHFFFAOYSA-N 278.311 3.558 0 30 CHAC O=C(O)c1cc(-c2ccccc2)nc(-c2ccccn2)c1 2524966 NSHPUFRGALCSOS-UHFFFAOYSA-N 276.295 3.509 0 30 CHAC CCOc1c2occc2c(OCC)c2c(=O)cc(C)oc12 21994230 HZXOIEZEHHZQFU-UHFFFAOYSA-N 288.299 3.645 0 30 CHAC OC1=C(O)CC2=C[C@@H]3CCc4cc(O)ccc4[C@@H]3C2=C1 60116688 JLVLSSLAEKLION-DYZYQPBXSA-N 268.312 3.636 0 30 CHAC CCCCCC[C@H](C)OC(=O)[C@H](C)Br 96347221 JRLNZNCOQCBRDL-UWVGGRQHSA-N 265.191 3.672 0 30 CHAC Cc1ccc(NC(=O)c2csc(-c3cccnc3)n2)cc1 172366 MXPQWOYWQMIRST-UHFFFAOYSA-N 295.367 3.766 0 30 CHAC c1ccc(-c2nsc(NC3Cc4ccccc4C3)n2)cc1 146358 QDYFSQAMADWDJR-UHFFFAOYSA-N 293.395 3.784 0 30 CHAC CO[C@@H]1CCCN[C@@H]1[C@@H](c1ccccc1)C1CCCC1 5606584 LFOIUEXTRFPFPZ-SQNIBIBYSA-N 273.420 3.727 0 30 CHAC N=C(N)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 75914509 VPFRROBLUVVKBL-UHFFFAOYSA-N 296.248 3.662 0 30 CHAC CC(=NOc1cccc(F)n1)c1ccc(Cl)cc1 254707817 KNWARSNDUXPCFK-UHFFFAOYSA-N 264.687 3.677 0 30 CHAC C[C@H](OCO[P@](=O)(O)O[C@H](C)C(C)(C)C)C(C)(C)C 604935094 QSVWNSNTVMEACS-WDEREUQCSA-N 296.344 3.963 0 30 CHAC Clc1ccccc1-c1nc(-c2ccc3nonc3c2)no1 168504 AUCSAKWBBJHHQT-UHFFFAOYSA-N 298.689 3.593 0 30 CHAC CN(C(=O)Nc1ccc(Cl)cc1)[C@H]1C[C@H]2C=C[C@H]1C2 100239661 VBPUHQSYDZQJKL-MJVIPROJSA-N 276.767 3.768 0 30 CHAC CC(C)(C)c1oncc1C(=O)Nc1ccc(Cl)cc1 12369130 NJEWCHWYSXBCGN-UHFFFAOYSA-N 278.739 3.878 0 30 CHAC Oc1ccc(OCCCCCOc2ccc(O)cc2)cc1 21298177 CVFFLNSOIOGOFJ-UHFFFAOYSA-N 288.343 3.726 0 30 CHAC CC[C@@H](C)c1cn2cccc(Br)c2n1 228025431 XIGAQFIAZHFUOT-MRVPVSSYSA-N 253.143 3.610 0 30 CHAC CC(C)[C@@H](c1ccccc1)[C@H](O)CCN1CCCCC1 632 KJCWLPLAURMCOC-MSOLQXFVSA-N 275.436 3.663 0 30 CHAC in-man O=C(c1ccc(F)cc1)[C@@H]1C[C@H]1C(=O)c1ccc(F)cc1 140782 CSPBPSIPTXLCNX-HUUCEWRRSA-N 286.277 3.667 0 30 CHAC O=C(c1ccc(F)cc1)c1ccc(OC(F)(F)F)cc1 33609614 IIOBPWBQFJNASE-UHFFFAOYSA-N 284.208 3.955 0 30 CHAC Nc1ccccc1-c1ccccc1I 39279478 GIENTRDNYCFURI-UHFFFAOYSA-N 295.123 3.540 0 30 CHAC Cc1cc(C)c(NC(=S)NC(C)(C)C)c(C)c1 150651 YNDHJOCSYHHPNO-UHFFFAOYSA-N 250.411 3.697 0 30 CHAC Cc1cc(Br)c(F)cc1-n1cccc1 135232002 WLGDMOMKQDJDSV-UHFFFAOYSA-N 254.102 3.687 0 30 CHAC C[C@H]1OSOC1(c1ccccc1)c1ccccc1 199650906 GLZOMLLQLCFMGW-GFCCVEGCSA-N 258.342 3.929 0 30 CHAC OCCCCCCCCCCNCc1ccccc1 44069078 PZKWYQBXXXKOOF-UHFFFAOYSA-N 263.425 3.889 0 30 CHAC in-vitro O=C(c1ccc(-c2ccc(F)c(F)c2)[nH]1)C(F)(F)F 725712220 GTDKKNPXYLPDCC-UHFFFAOYSA-N 275.176 3.705 0 30 CHAC CCc1ccc2[nH]c(C(=O)NCCc3ccccc3)cc2c1 171568 GHWVDLZEHOFXRM-UHFFFAOYSA-N 292.382 3.703 0 30 CHAC Cc1cccc(Cl)c1NC(=S)NCc1ccncc1 128629 XIOIATLNLQUHTG-UHFFFAOYSA-N 291.807 3.530 0 30 CHAC CC(C)(C)C(=O)N1N=C(Nc2ccccc2)SC1(C)C 2157109 OICNYDIYRIZPPR-UHFFFAOYSA-N 291.420 3.727 0 30 CHAC CC(C)c1ccccc1Nc1nnc(S)s1 98745 NSHVDGPTOSUCPI-UHFFFAOYSA-N 251.380 3.694 0 30 CHAC COC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1C 261100844 ZZTOCYATGPWMCH-UHFFFAOYSA-N 258.104 3.570 0 30 CHAC C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)CCC[C@@]12O 136461565 ICLRFACJGMUUQI-VROKRIHVSA-N 292.463 3.895 0 30 CHAC Oc1ccccc1OCCCCCOc1ccccc1O 3119083 SDZKIPJKCIJYAS-UHFFFAOYSA-N 288.343 3.726 0 30 CHAC O=C1Nc2ccc(Cl)cc2[C@@H]1Cc1ccccc1 64787742 SGQODJAGKYIRRS-ZDUSSCGKSA-N 257.720 3.618 0 30 CHAC C[C@H]1CO[C@]2(C1)OC(=O)c1c2ccc2c1CCCC2(C)C 13411131 HUTQFIYQAWCICW-ADLMAVQZSA-N 286.371 3.680 0 30 CHAC biogenic O=C1c2ccccc2C(=O)N1Cc1csc2ccccc12 102854 AQEZQOKWNXFAQK-UHFFFAOYSA-N 293.347 3.698 0 30 CHAC CNc1nc(NCc2ccc(Cl)cc2)c2ccccc2n1 127947762 VENMKIWSQIDYDE-UHFFFAOYSA-N 298.777 3.937 0 30 CHAC CC(=O)c1ccccc1Sc1ccccc1C(=O)O 161528 UVKUNTVZWDIEDN-UHFFFAOYSA-N 272.325 3.739 0 30 CHAC Cc1csc(=Nc2cccc3ccccc23)n1C 334157128 ARBXAEOQRATGRV-UHFFFAOYSA-N 254.358 3.781 0 30 CHAC CCC[C@H](O)C1(C(=O)Cc2ccccc2)CCCC1 32217155 PQORQXIDHJKRBM-HNNXBMFYSA-N 260.377 3.520 0 30 CHAC C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)CC=CC[C@@]34C)[C@H]1CC[C@@H]2O 2265351436 KDSYIIWCLNQJNC-ZKKXSORASA-N 290.447 3.671 0 30 CHAC COC(=O)c1csc2ccc(C(F)(F)F)cc12 260106328 RWSUDKGQSUSPLD-UHFFFAOYSA-N 260.236 3.707 0 30 CHAC CC1=C2C=CN(C)C(C)=C2C=C2c3cc(O)ccc3N[C@@H]21 141570376 FTVYFWUQNYOFHS-GOSISDBHSA-N 278.355 3.633 0 30 CHAC CN(C)C[C@@H]1Cc2ccc(Cl)cc2C(c2ccccc2)=N1 33885621 MHUJXSHQRUTFKD-INIZCTEOSA-N 298.817 3.664 0 30 CHAC CCCCOc1ccc(C(=O)[C@H](C)N2CCCCC2)cc1 38632848 GTVLVUISDRKFTD-HNNXBMFYSA-N 289.419 3.923 0 30 CHAC Cc1cc(NC(=O)c2cc(C(C)(C)C)oc2C)nc(C)n1 114576 ZOILPLUAIOZGIZ-UHFFFAOYSA-N 287.363 3.545 0 30 CHAC c1ccc(CN2CCCCC2)c(CN2CCCCC2)c1 39377656 WMGLXRCJTUECOE-UHFFFAOYSA-N 272.436 3.658 0 30 CHAC O=c1[nH]nc(-c2cc(Cl)cc(Cl)c2)c2ccccc12 172765 FFUDJBOVAZQVOX-UHFFFAOYSA-N 291.137 3.897 0 30 CHAC Cc1cc(C)c2c(N)c(C(=O)c3cccs3)sc2n1 159102 SXMMJMHTTGSYLX-UHFFFAOYSA-N 288.397 3.788 0 30 CHAC CCOC(=O)c1ccccc1[C@H](C)NCc1ccccc1 1772820815 MVJYWVPRRWDZRK-AWEZNQCLSA-N 283.371 3.714 0 30 CHAC CN(C)CC[C@@]1(c2ccccc2)CCc2ccccc2C1=O 1482031 IOKKIRANVRFSAH-HXUWFJFHSA-N 293.410 3.705 0 30 CHAC in-man CCCOc1ccc(CNCc2ccccc2)cc1 20086572 DZCLENQZULZVDR-UHFFFAOYSA-N 255.361 3.765 0 30 CHAC in-vitro CC(C)Oc1cc(Nc2cc(Cl)ncc2Cl)[nH]n1 95616988 AGPHIOSGPSKKNY-UHFFFAOYSA-N 287.150 3.642 0 30 CHAC O=C(Oc1cccc2[nH]ccc12)c1c(F)cccc1F 93247 ACDQAWMOZPWYGF-UHFFFAOYSA-N 273.238 3.665 0 30 CHAC O=C(CSc1ccc(Cl)cc1)NCc1cccs1 166111 FTTSUDAPYZIYKW-UHFFFAOYSA-N 297.832 3.810 0 30 CHAC CC(C)(C)OC(=O)Nc1cccc(C2(C(=O)O)CCC2)c1 238089311 HBBKTAOONWYTJC-UHFFFAOYSA-N 291.347 3.540 0 30 CHAC CCOC(=O)c1ccc(CN[C@H](C)c2ccccc2)cc1 1772820806 CUTXKDTWHMPODG-CQSZACIVSA-N 283.371 3.714 0 30 CHAC Cc1ccc(C(=O)Oc2cccc3[nH]ccc23)cc1 93243 WSNCBHNGGPRIOQ-UHFFFAOYSA-N 251.285 3.696 0 30 CHAC O[C@]1(c2ccccc2)CC[C@@H]2[C@@H]1CC[C@]2(O)c1ccccc1 4321567 BGPALYKOUQFTBY-YRPNKDGESA-N 294.394 3.582 0 30 CHAC FC(F)(F)c1ccc(-c2nnc(C3CC3)o2)cc1 120390 MCMYQNQKBSGNSA-UHFFFAOYSA-N 254.211 3.633 0 30 CHAC Cc1c(C(=O)Cn2ccnc2)sc2ccc(Cl)cc12 172260 SFAAELCKDQSNPV-UHFFFAOYSA-N 290.775 3.943 0 30 CHAC C[C@@H](CCCC(C)(C)O)C[C@@H](O)OCCc1ccccc1 33609200 LWPLJHROTQIHMD-RDJZCZTQSA-N 294.435 3.532 0 30 CHAC O=C1c2cc(Cl)cc(Cl)c2NC1(Cl)Cl 199899664 KMZOMQQUNCVEGW-UHFFFAOYSA-N 270.930 3.733 0 30 CHAC CCCCC[C@H](/C=C/n1ccnc1)OC(=O)c1cccnc1 4213973 KDFWKXZFYSRQSX-YCABEKBOSA-N 299.374 3.555 0 30 CHAC in-man CC(C)(C)OC(=O)N[C@@H]1CCNc2ccc(Cl)cc21 68575627 HJSJGOZAQBFPAB-GFCCVEGCSA-N 282.771 3.721 0 30 CHAC CCOc1ccccc1[C@@H](N)c1cccc(Cl)c1 41352784 KIKLOFFKVHCUDO-HNNXBMFYSA-N 261.752 3.787 0 30 CHAC Cc1nc(N)nc(-c2ccc(Cl)c(Cl)c2)c1C 95935412 AQWVVCRVFXUGDM-UHFFFAOYSA-N 268.147 3.649 0 30 CHAC CNC[C@@H]1c2ccccc2CSc2ccccc21 5525970 PWVVWWGUYVRUCH-OAHLLOKOSA-N 255.386 3.644 0 30 CHAC O=C(O)c1c(F)c(F)c(NCc2ccccc2)c(F)c1F 2265369598 MVCIOENGTLTDOM-UHFFFAOYSA-N 299.223 3.553 0 30 CHAC O=S(=O)(O)c1ccc(Nc2ccc3ccccc3c2)cc1 82048488 NREPNHDVTUIDQF-UHFFFAOYSA-N 299.351 3.830 0 30 CHAC Cc1cc(Cl)cc(Cl)c1CNC(=O)C(C)C 78110 VOAYIWYYWAFNEX-UHFFFAOYSA-N 260.164 3.574 0 30 CHAC CCN[C@@H](C)Cc1cccc(SC(F)(F)F)c1 772 HNONSDNCRNUTCT-VIFPVBQESA-N 263.328 3.839 0 30 CHAC in-man CC1(C)CN[C@H](c2ccccc2)N(Cc2ccccc2)C1 575440705 QHRQXXLEHALATF-SFHVURJKSA-N 280.415 3.817 0 30 CHAC Cc1cc(C)c2[nH]c(C(=O)NCc3ccccc3)cc2c1 171576 IKPOOJXLBWXRDK-UHFFFAOYSA-N 278.355 3.715 0 30 CHAC CNc1c(CC(C)C)cccc1-c1noc(C)c1C(=O)O 5159591 JAUBDTZVXUZKFD-UHFFFAOYSA-N 288.347 3.588 0 30 CHAC O=C(O)c1c(-c2ccc(Cl)cc2)ccc2n[nH]cc12 607717049 OEIKPYZAAVRYEN-UHFFFAOYSA-N 272.691 3.582 0 30 CHAC Cc1ccc(C(=O)CSC2=NCCCCC2)cc1 172016 WORDUVZAGKSHSW-UHFFFAOYSA-N 261.390 3.883 0 30 CHAC CC(C)CCCCCCCCCCOS(=O)(=O)O 113628172 LHDDFSJNFGMGEX-UHFFFAOYSA-N 280.430 3.973 0 30 CHAC CCO[P@@](=O)(CC)O/C=C/NC1CCCCC1 146500524 CHULBCDOSKNGOV-DVQDXYAYSA-N 261.302 3.646 0 30 CHAC CCCCOC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 2382704 HLSZELGMPRJPOA-LLVKDONJSA-N 270.756 3.759 0 30 CHAC O=C(Nc1ccccc1)c1ccc2ncsc2c1 169293 SGEVGJBEIVTXII-UHFFFAOYSA-N 254.314 3.549 0 30 CHAC Cc1ccc(Cc2nc(-c3ccccc3)nnc2S)cc1 585138966 IKPQKPOEPXQJQO-UHFFFAOYSA-N 293.395 3.727 0 30 CHAC Cc1nc(SCCC(C)C)[nH]c(=O)c1CCC(C)C 17919584 KHYBUPXYTBDEGC-UHFFFAOYSA-N 282.453 3.805 0 30 CHAC COC(=O)c1ccc(C=Nc2ccc(Cl)cc2)cc1 257351066 BYDHFMUKSVKDBK-UHFFFAOYSA-N 273.719 3.877 0 30 CHAC OC1=C(O)CC2=C[C@@H]3CCc4cc(O)ccc4[C@H]3C2=C1 60116684 JLVLSSLAEKLION-BTDLBPIBSA-N 268.312 3.636 0 30 CHAC ClCCc1cc(Br)ccc1Br 82027063 WURLLZGPVLAWRZ-UHFFFAOYSA-N 298.405 3.993 0 30 CHAC CCc1ccnc(NC(=O)Nc2cc(C)cc(C)c2)c1 151194 IYDZPPJTQBPDBE-UHFFFAOYSA-N 269.348 3.905 0 30 CHAC N[C@H](Cc1ccccc1)c1ccc(Br)cc1 19475475 XEZVNCGGWUFYDI-CQSZACIVSA-N 276.177 3.692 0 30 CHAC Cc1cc2cc(/C=C/[N+](=O)[O-])c(Cl)nc2cc1C 32099817 AGSLHRHNGPJUFV-ONEGZZNKSA-N 262.696 3.752 0 30 CHAC COc1ccc(Br)cc1COC1CCC1 50521125 XCBBYGUVONHBCW-UHFFFAOYSA-N 271.154 3.527 0 30 CHAC in-vitro O=C(O)c1cccc(-c2ccc(F)cc2Cl)c1 116926272 AJVCWZZIMJDTEF-UHFFFAOYSA-N 250.656 3.844 0 30 CHAC Cc1cc(C(=O)c2ccccc2C(=O)O)c(C)c(C)c1C 137518 TXWLUPQZHZCEDT-UHFFFAOYSA-N 282.339 3.849 0 30 CHAC CC[C@H](C)OC(=O)[C@H](C)Oc1ccc(Cl)cc1C 3604086 JNJWTHMHROHMGZ-QWRGUYRKSA-N 270.756 3.757 0 30 CHAC COc1ccc(N2C[C@H]3CCCc4ccccc4C3=N2)cc1 4362130 DKEAIPSEXJEHSL-OAHLLOKOSA-N 292.382 3.872 0 30 CHAC Brc1cccc2occ(Br)c12 212721136 HDFSMHNUASISOR-UHFFFAOYSA-N 275.927 3.958 0 30 CHAC c1ccc2c(-c3nnc(CN4CCCCC4)o3)cccc2c1 83324 HAABJYCMBKEFOZ-UHFFFAOYSA-N 293.370 3.876 0 30 CHAC Brc1ccccc1[C@@]12CCCC[C@@H]1O2 299805379 LFDBJYOWBFFESF-RYUDHWBXSA-N 253.139 3.617 0 30 CHAC O=C(O)C(=O)c1ccccc1-c1cccc(Cl)c1Cl 38645856 DOOTZRZHTNHQET-UHFFFAOYSA-N 295.121 3.928 0 30 CHAC CCN(CC)P(=O)(Oc1ccccc1)N(CC)CC 2572412 YFLATUAXNSIDRP-UHFFFAOYSA-N 284.340 3.857 0 30 CHAC CC(C)(C)OC(=O)N1CC(c2ccc3ccccc3n2)C1 91353142 VOVSHHOOXWXYKX-UHFFFAOYSA-N 284.359 3.569 0 30 CHAC O=C(c1ccc(-c2cccc(F)c2)[nH]1)C(F)(F)F 725712246 LYMDGHMNFWGTBE-UHFFFAOYSA-N 257.186 3.566 0 30 CHAC CCOC(=O)C(CC[C@@H]1CC[C@@H](C)C1(C)C)C(=O)OCC 33608697 UVELSJAJXCLTED-OLZOCXBDSA-N 298.423 3.581 0 30 CHAC CC(C)=CCOc1cc2ccc(=O)oc2c2ccoc12 5158821 DSDJMMMGDPDPIX-UHFFFAOYSA-N 270.284 3.884 0 30 CHAC biogenic COC(=O)c1ccc(Cl)c(Cl)c1CBr 221903545 GTXUTHFISYFGST-UHFFFAOYSA-N 297.963 3.675 0 30 CHAC C[C@]12CC[C@@H]3c4ccc(N)cc4CC[C@@H]3[C@H]1CCC2=O 252428675 UNBVZLXCQDVEGX-HPFXQQBRSA-N 269.388 3.694 0 30 CHAC O=C(NC1CCCCC1)c1cc2ccccc2s1 17357247 QMBDXMNOEDJOFZ-UHFFFAOYSA-N 259.374 3.964 0 30 CHAC CCN(C)c1cc(=O)c2cccc(-c3ccccc3)c2o1 2021539 HBXXKSSQTTUBPM-UHFFFAOYSA-N 279.339 3.916 0 30 CHAC C[C@@H](C(=O)c1ccccc1)[C@H](O)c1ccc(Cl)cc1 21996869 YKJJINLOTHGNPP-ZBEGNZNMSA-N 274.747 3.892 0 30 CHAC O=C(Cc1cc(F)cc(F)c1)Nc1ccc(Cl)cc1 110565 OCQAMCGTJPVGNQ-UHFFFAOYSA-N 281.689 3.799 0 30 CHAC CC(C)(C)[Si](C)(C)OCc1ncc(Br)o1 223174824 COCVOKHTIXXPES-UHFFFAOYSA-N 292.249 3.959 0 30 CHAC CCCCCc1c(Cl)c(O)c(Cl)c(O)c1C(=O)O 32232288 NFASENGEDPDADX-UHFFFAOYSA-N 293.146 3.836 0 30 CHAC CCCCC/C=C\C[C@@H](O)/C=C\C=C\CCC(=O)O 33985234 KBOVKDIBOBQLRS-UDJPSOMTSA-N 266.381 3.851 0 30 CHAC CCOC(=O)c1ccccc1[C@@H](C)NCc1ccccc1 1772820816 MVJYWVPRRWDZRK-CQSZACIVSA-N 283.371 3.714 0 30 CHAC Cc1c(Cl)cccc1NC(=O)N(C)CC(C)C 49459021 WTBBMHPGIKDONV-UHFFFAOYSA-N 254.761 3.768 0 30 CHAC CC(C)(C)OC(=O)N1CCC(c2ccc(C=O)cc2)CC1 66055098 GQPLMKUWBWJJML-UHFFFAOYSA-N 289.375 3.614 0 30 CHAC C[C@@H]1CCCC[C@]1(C)OC(=O)c1ccccc1C(=O)O 38609476 IBQUTAWFRDBINE-BZNIZROVSA-N 276.332 3.510 0 30 CHAC Cc1ccc(NC(=O)NC=Cc2ccccc2)cc1 2265279001 SCBTTXOPEUARMB-UHFFFAOYSA-N 252.317 3.787 0 30 CHAC CCc1c(C(=O)OCc2ccccc2)[nH]c(C)c1C 105627 OYOYLYHDRHUYES-UHFFFAOYSA-N 257.333 3.551 0 30 CHAC C[C@@H](C(=O)O)c1ccc(C(=O)c2cccs2)c(Cl)c1 6037080 NLGUJWNOGYWZBI-MRVPVSSYSA-N 294.759 3.821 0 30 CHAC in-man Cc1nsc2nc(-c3cccc(Br)c3)cn12 39325873 CBWIRUXACZNZLF-UHFFFAOYSA-N 294.177 3.529 0 30 CHAC C1CCCCNCCCCCCCCNCCC1 62723249 DQXNDQIWVQIEBP-UHFFFAOYSA-N 254.462 3.860 0 30 CHAC Cc1cc(Cl)ccc1O[C@H](C)C(=O)OCC(C)C 6070138 RMPYJRQOSTUDNH-LLVKDONJSA-N 270.756 3.615 0 30 CHAC COc1ccc(-c2cc3nc(Cl)cc(Cl)n3n2)cc1 79032659 OLCKLQCXNACKAL-UHFFFAOYSA-N 294.141 3.712 0 30 CHAC FC(F)(F)c1cc([C@@H]2CCN2)cc(C(F)(F)F)c1 44257443 CJYXEHGGORAFSV-VIFPVBQESA-N 269.188 3.759 0 30 CHAC in-vitro CCOC(=O)C(CC[C@@H]1CC[C@H](C)C1(C)C)C(=O)OCC 33608701 UVELSJAJXCLTED-STQMWFEESA-N 298.423 3.581 0 30 CHAC Cc1ccc(C)c(CNc2ccc3c(c2)CCC(=O)N3)c1 48330256 VOIDIMGKIFNTPQ-UHFFFAOYSA-N 280.371 3.800 0 30 CHAC C[C@]12CC[C@@H]3c4ccc(O)cc4C=C[C@H]3[C@@H]1CC[C@H]2O 140237489 VVLCELUSWGWMSW-SFFUCWETSA-N 270.372 3.690 0 30 CHAC Fc1cccc(-c2cc3nc(Cl)cc(Cl)n3n2)c1 79032680 GOXSCBNFLRBTDH-UHFFFAOYSA-N 282.105 3.842 0 30 CHAC Cc1ccc(NN=C2C(=O)C=Cc3ccccc32)c(C)c1 256442404 YPXOPAFVVHXQDP-UHFFFAOYSA-N 276.339 3.716 0 30 CHAC CCOC(=O)c1ccccc1CN[C@H](C)c1ccccc1 1772820814 JEPSDWYZNJWRJG-CQSZACIVSA-N 283.371 3.714 0 30 CHAC CCC[C@@H]1[C@@H](CC)C=NN1C(=S)Nc1ccccc1 33847184 QQQSNWKFFBJJGP-GXTWGEPZSA-N 275.421 3.880 0 30 CHAC COC(=O)[C@]1(C)CCC[C@]2(C)c3ccccc3CC[C@@H]21 32233920 ZOUKXUZJBJOWQH-CGTJXYLNSA-N 272.388 3.870 0 30 CHAC Cc1ccc2c(c1)N1CCN(C)C[C@@H]1c1ccccc1O2 5160871 AQCUOHAOVDYWGZ-MRXNPFEDSA-N 280.371 3.594 0 30 CHAC CC(=O)c1csc(COc2ccccc2Cl)n1 122781 LXUBWCNCTWHIBQ-UHFFFAOYSA-N 267.737 3.578 0 30 CHAC CCn1nc(C)cc1C(=O)Sc1cccc(Cl)c1 121188 FVRLBBZGPIELNK-UHFFFAOYSA-N 280.780 3.797 0 30 CHAC CCCC[C@H](C)O[S@](=O)(=S)c1ccc(C)cc1 90427285 KQKKQHBXEGNXSD-SJCJKPOMSA-N 272.435 3.611 0 30 CHAC Clc1ccc2c(c1)N[C@H](c1ccc3c(c1)OCO3)O2 144422 PMDAXBPIDQDLPQ-AWEZNQCLSA-N 275.691 3.572 0 30 CHAC O=c1c(Sc2ccccc2)c(Sc2ccccc2)c1=O 3119161 VHGAOFFFULFTHA-UHFFFAOYSA-N 298.388 3.585 0 30 CHAC CC(=C/C(=O)O)/C(=C\C[C@@H](C)CCCC(C)C)C(=O)O 12382197 AFAUEBFIKITXQG-GUBOMHSFSA-N 282.380 3.881 0 30 CHAC C[C@H](CN(Cc1ccccc1)Cc1ccccc1)N(C)C 22032933 IXEVSIRTTNRCQB-QGZVFWFLSA-N 282.431 3.639 0 30 CHAC C[C@H](C(=O)c1ccccc1)[C@H](O)c1ccc(Cl)cc1 21996865 YKJJINLOTHGNPP-BZNIZROVSA-N 274.747 3.892 0 30 CHAC O=C1C[C@H](c2ccc(Br)cc2)C12CCC2 700921471 KBPDPUJJJUIGPU-LLVKDONJSA-N 265.150 3.676 0 30 CHAC O=C1Nc2ccc(Cl)cc2[C@H]1Cc1ccccc1 101728064 SGQODJAGKYIRRS-CYBMUJFWSA-N 257.720 3.618 0 30 CHAC COc1cc(/C=C(\C)[N+](=O)[O-])ccc1OCc1ccccc1 34324812 WNVPWPSALZVHTN-JLHYYAGUSA-N 299.326 3.912 0 30 CHAC NCc1ccc(Oc2ccc3c(c2)CCCC3)cc1 48807677 PHMXXDAABPMNEQ-UHFFFAOYSA-N 253.345 3.816 0 30 CHAC O=C(c1cccs1)c1ccc(O)c(Cl)c1Cl 22057042 PPDIALCNVFLTST-UHFFFAOYSA-N 273.140 3.992 0 30 CHAC in-vitro C[C@@H]1CCCC[C@@]1(C)OC(=O)c1ccccc1C(=O)O 38609472 IBQUTAWFRDBINE-BDJLRTHQSA-N 276.332 3.510 0 30 CHAC CC(=O)N(C(C)=O)c1c(Cl)cc(Cl)c(C)c1Cl 196923066 DZGUKKXCPVRNRZ-UHFFFAOYSA-N 294.565 3.855 0 30 CHAC COC(=O)c1ccc(Oc2cccc(C(F)(F)F)c2)nc1 123109 ZJVDZXNYFFBXDR-UHFFFAOYSA-N 297.232 3.679 0 30 CHAC COc1ccc([C@H]2OCC(C)(C)[C@@H](C(C)C)O2)cc1 1641667 SAPSRDCAWQTFLZ-CABCVRRESA-N 264.365 3.791 0 30 CHAC Brc1cccc2c1NC[C@]21CC=CCC1 39711866 MUUTUBRPIOOFSP-CYBMUJFWSA-N 264.166 3.853 0 30 CHAC Cc1c(-c2ccccc2OC(F)(F)F)sc2ncnn12 97758512 RWKRESQTVFAODW-UHFFFAOYSA-N 299.277 3.665 0 30 CHAC O=[S@](c1ccc(Cl)cc1Cl)C(F)(F)F 142671314 FYKXRVUSIQYRRG-AWEZNQCLSA-N 263.067 3.621 0 30 CHAC Cc1ccc(NC(=O)Nc2cccnc2)cc1Cl 6104 XGQKCIVUSIMFRF-UHFFFAOYSA-N 261.712 3.687 0 30 CHAC CCCCOC(=O)CCCCCCC1=CCCC1=O 5821370 IQOYCLGKUZQIQH-UHFFFAOYSA-N 266.381 3.960 0 30 CHAC Cc1csc(NC(=O)Nc2ccc(F)cc2)c1 82441 CHRYJXIMQKNTFG-UHFFFAOYSA-N 250.298 3.840 0 30 CHAC CC(C)(C)CC(C)(C)NC(=O)c1c(F)cccc1F 74903 QYWSFKYPVZACSO-UHFFFAOYSA-N 269.335 3.909 0 30 CHAC CCOc1ccc2[nH]c(-c3ccccc3)cc(=O)c2c1 32099894 UWEDLVHIAKVYOM-UHFFFAOYSA-N 265.312 3.594 0 30 CHAC Cc1noc(C)c1-c1nnc(-c2ccc(Cl)cc2)o1 112219 CUBFLPSUDNOGFP-UHFFFAOYSA-N 275.695 3.662 0 30 CHAC Cc1ccc(Cc2cc(-c3ccc(C)cc3)n[nH]c2=O)cc1 13657772 FNBJAEFEVPYTPZ-UHFFFAOYSA-N 290.366 3.645 0 30 CHAC CC(C)CCCOC(=O)/C=C\C(=O)OCCCC(C)C 111479437 AUUKMDXZUNSGGI-KTKRTIGZSA-N 284.396 3.501 0 30 CHAC Cc1ccc(N=C2C(=O)N(C)c3ccccc32)cc1Cl 254647293 XSLWUVTZCYXTTL-UHFFFAOYSA-N 284.746 3.746 0 30 CHAC Ic1ccc(C2CCC2)cc1 606293397 UIJJPRKTQCVFGO-UHFFFAOYSA-N 258.102 3.559 0 30 CHAC Brc1cccc2c1NC[C@@]21CC=CCC1 39711868 MUUTUBRPIOOFSP-ZDUSSCGKSA-N 264.166 3.853 0 30 CHAC CC(C)(C)OC(=O)n1c(Cl)c(C=O)c2ccccc21 5950505 FXGYYINAPYFDDP-UHFFFAOYSA-N 279.723 3.890 0 30 CHAC CC(C)(C)OC(=O)CC(=O)c1cc(Cl)cc(Cl)c1 38304142 ALWYJINALBGNMK-UHFFFAOYSA-N 289.158 3.908 0 30 CHAC O=C1OC(=CNc2ccc(F)cc2F)c2ccccc21 2265279038 FAIAXNVURBJJPN-UHFFFAOYSA-N 273.238 3.546 0 30 CHAC CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC(=O)c1ccccc1O 5732753 XQPZKMWBRDTOGK-UXEPBGEESA-N 274.360 3.764 0 30 CHAC C[C@H](C(=O)c1ccccc1)[C@@H](O)c1ccc(Cl)cc1 21996859 YKJJINLOTHGNPP-BDJLRTHQSA-N 274.747 3.892 0 30 CHAC O=C(O)c1cc(Cl)ccc1Sc1ccccc1CO 86222 UPIVFPDDPXQZEN-UHFFFAOYSA-N 294.759 3.682 0 30 CHAC CO[C@@H](c1cccc(Br)n1)C(C)(C)C 306504248 YOSMMSUSMDFZRP-JTQLQIEISA-N 258.159 3.578 0 30 CHAC Nc1cc(OCc2ccccc2)c(F)cc1Br 95616839 KXXMAKROFFDJKM-UHFFFAOYSA-N 296.139 3.749 0 30 CHAC COc1c(Cl)cc(Br)cc1SC 575674213 PDBFFEMIAWPTDN-UHFFFAOYSA-N 267.575 3.833 0 30 CHAC Fc1ccc(Br)cc1-c1nnc(Cl)s1 71050242 WQRYBAOTGQCDRF-UHFFFAOYSA-N 293.548 3.760 0 30 CHAC in-vitro CC(C)(C)OC(=O)NCCc1c[nH]c2cc(F)cc(F)c12 95616840 PQEHWYVJUXKHNH-UHFFFAOYSA-N 296.317 3.513 0 30 CHAC COc1ccc(CCN(C)C)c(C2=CCCCC2)c1 604970573 IQQYBVXVPOYWFP-UHFFFAOYSA-N 259.393 3.757 0 30 CHAC c1ccc(CCC[C@H]2NCCc3ccccc32)cc1 70209491 ZIFKNYPBHUTZEG-GOSISDBHSA-N 251.373 3.896 0 30 CHAC C[C@@H](C1CC1)[C@@](C)(Cn1cncn1)c1ccc(Cl)cc1 108646730 JCOKNRLKILGMJN-BLLLJJGKSA-N 289.810 3.936 0 30 CHAC CCc1nc(-c2cc3ccccc3o2)sc1C(=O)O 126379446 IOXJMKXQEMIUIK-UHFFFAOYSA-N 273.313 3.817 0 30 CHAC Cc1[nH]c2ccccc2c1[C@@H](NO)c1ccccc1 1536221460 IVYUKDXXQWWLSU-INIZCTEOSA-N 252.317 3.545 0 30 CHAC CC(C)c1ccc(I)c(F)c1 694982008 CAIRFVGZXFLYJF-UHFFFAOYSA-N 264.081 3.554 0 30 CHAC CC1(C)C(=O)C[C@@H]1c1ccc(Br)cc1 88177525 LNWBORBIJZQKRJ-SNVBAGLBSA-N 253.139 3.532 0 30 CHAC O=C(N/C=C/c1ccsc1)Nc1ccc(F)cc1 81717 IOASXNNBSOTCSC-FNORWQNLSA-N 262.309 3.680 0 30 CHAC CC(=O)CC(=O)c1ccc(Oc2ccccc2)cc1 100475822 XDGMOBFJXPWPNT-UHFFFAOYSA-N 254.285 3.641 0 30 CHAC CCN(CC)C(=O)c1c2c(nc3ccccc13)CCCCC2 2029613 IGCQUFMUSOMTCG-UHFFFAOYSA-N 296.414 3.986 0 30 CHAC CCCCCCO[C@@H]1CCC(=O)N1Cc1ccccc1 33900701 HUPJVMGZLNGJJK-QGZVFWFLSA-N 275.392 3.732 0 30 CHAC CCc1cc(Br)cc2cc(C(C)=O)oc12 5688562 PPNZFWQOMJVVJT-UHFFFAOYSA-N 267.122 3.960 0 30 CHAC O=C(O)c1ccc(SC(F)(F)F)c(Cl)c1 2265346609 SIDQTYOFAMPHIJ-UHFFFAOYSA-N 256.632 3.650 0 30 CHAC O=C(Oc1ccc(O)cc1)c1cccc2ccccc12 90713635 WBJJAYLMKUGBCP-UHFFFAOYSA-N 264.280 3.765 0 30 CHAC N[C@H](c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cn1 135047857 YKRGLSOQZDSUBT-GFCCVEGCSA-N 286.684 3.802 0 30 CHAC CC[C@]1(Cc2cccc(C(F)(F)F)c2)CCCN1 91445319 IBWJRYLFGMWDEW-CYBMUJFWSA-N 257.299 3.780 0 30 CHAC CC(C)(C)OC(=O)Nc1nc(Cl)ccc1Cl 82162959 PLYJEMRLEXWZLX-UHFFFAOYSA-N 263.124 3.735 0 30 CHAC in-vitro N=[S@](=O)(c1ccc(Cl)cc1)c1cccs1 13466287 SZYXMCPOYBQEKI-HNNXBMFYSA-N 257.767 3.866 0 30 CHAC CN1CCN(Cc2cccc3c2sc2ccccc23)CC1 22042203 IDKYBEVPWWHJPN-UHFFFAOYSA-N 296.439 3.802 0 30 CHAC O[C@@]1(c2ccccc2)CC[C@@H]2[C@H]1CC[C@]2(O)c1ccccc1 1042143 BGPALYKOUQFTBY-WTGUMLROSA-N 294.394 3.582 0 30 CHAC Cc1ccc(NC(=S)N[C@H]2C[C@H]3C=C[C@H]2C3)c(C)c1 100234552 MPMPESDOZVTRHW-YDHLFZDLSA-N 272.417 3.554 0 30 CHAC O=C(Nc1ccccc1)Nc1ccc(C(F)(F)F)cn1 155612 OLAQNLZKZMIAOY-UHFFFAOYSA-N 281.237 3.744 0 30 CHAC CN(C)CC[C@]1(c2ccccc2)CCc2ccccc2C1=O 1481882 IOKKIRANVRFSAH-FQEVSTJZSA-N 293.410 3.705 0 30 CHAC in-man COc1ccc(COC(=O)NC=Cc2ccc(C)cc2)cc1 2265278992 PXBOUSFTLCPDNW-UHFFFAOYSA-N 297.354 3.901 0 30 CHAC O=C(Nc1ccccc1)Nc1cc(-c2ccccc2)n[nH]1 170813 XTXUYKRTCOLTHN-UHFFFAOYSA-N 278.315 3.721 0 30 CHAC O=C1C[C@H](CCc2ccccc2)Oc2ccccc21 15216792 JSZHKARAUAIUIV-AWEZNQCLSA-N 252.313 3.653 0 30 CHAC CC(=NOC(=O)c1ccc(C)cc1)c1sc(C)nc1C 254515690 LBYAKKXSCLOQGJ-UHFFFAOYSA-N 288.372 3.649 0 30 CHAC O=C(Nc1ccc(F)cc1F)c1ccc2ncccc2c1 171263 PZWWZASXFNSHQL-UHFFFAOYSA-N 284.265 3.765 0 30 CHAC CCOC(=O)Nc1ccc(C(F)(F)F)cc1Cl 110810 NMFSIEAIWJTOOK-UHFFFAOYSA-N 267.634 3.927 0 30 CHAC CC(C)C1=CC(=O)n2c(nc3ccccc32)C1(C)C 36047440 HPCDTATZPUMHGJ-UHFFFAOYSA-N 254.333 3.550 0 30 CHAC O=C(c1ccccc1)C1(Br)CCCC1 60204817 BNULTXNEKXSBQI-UHFFFAOYSA-N 253.139 3.577 0 30 CHAC in-vitro Cc1onc(-c2ccccc2Cl)c1C(=O)OC(C)C 39119895 WKEIMFAVPWIMJV-UHFFFAOYSA-N 279.723 3.869 0 30 CHAC CCc1ccc(NC(=O)C=Cc2ccc3c(c2)OCO3)cc1 2265239521 STPBRMMPHJDNPO-UHFFFAOYSA-N 295.338 3.630 0 30 CHAC Cc1nc(Br)c(NC(=O)OC(C)(C)C)s1 2265385125 DXTFLVDONIITLI-UHFFFAOYSA-N 293.186 3.561 0 30 CHAC CON=Cc1ccc(Sc2ccc(Cl)cc2)nc1 254509174 QFRULRNYYUAPBA-UHFFFAOYSA-N 278.764 3.867 0 30 CHAC N[C@H](c1c[nH]c2ccccc12)C(Cl)(Cl)Cl 135825466 CMRVMNOQKHSGFC-SECBINFHSA-N 263.555 3.538 0 30 CHAC CCOc1ccccc1[C@@H](N)c1ccc(Cl)cc1 19804079 QIMRMWWEBQQKGC-HNNXBMFYSA-N 261.752 3.787 0 30 CHAC CC(=O)O[C@@H]1C[C@H](c2ccccc2)Oc2ccccc21 85363 FCLICVXWRRFWNQ-IAGOWNOFSA-N 268.312 3.815 0 30 CHAC Cc1onc(-c2ccccc2)c1CNC(=O)c1ccccc1 105499 ZOFVODJHAHYIDD-UHFFFAOYSA-N 292.338 3.580 0 30 CHAC O=C(O)c1ccccc1Sc1ccc(F)c(F)c1 6926871 XIPLBHKETINVHG-UHFFFAOYSA-N 266.268 3.814 0 30 CHAC Nc1ccc(SCc2ccccc2Cl)cn1 37192657 LAXBQQMJQILTHD-UHFFFAOYSA-N 250.754 3.610 0 30 CHAC in-vitro CSC(=S)/C=C1/Sc2ccccc2N1C 5140959 NUJLHAURLLYKRL-JXMROGBWSA-N 253.417 3.760 0 30 CHAC Cc1ncsc1-c1ccc([C@H](C)N)c(Cl)c1 698630030 UCYWZJDCZDUULV-ZETCQYMHSA-N 252.770 3.792 0 30 CHAC COc1ccc2[nH]c3c(c2c1)[C@@H](C)CC(C=O)=C3C 33606210 NMQSCTOGZSRWRM-VIFPVBQESA-N 255.317 3.656 0 30 CHAC CC(C)[C@H](c1ccccc1)[C@H](O)CCN1CCCCC1 33903718 KJCWLPLAURMCOC-QZTJIDSGSA-N 275.436 3.663 0 30 CHAC in-man O=C(O)c1cc(OCc2ccccc2)nc2ccccc12 36928301 WNJOMYFTRFQJLU-UHFFFAOYSA-N 279.295 3.512 0 30 CHAC FC(F)(F)c1nc(S)nc2c1CCc1ccccc1-2 390825503 YQSNQPITCCEWTN-UHFFFAOYSA-N 282.290 3.550 0 30 CHAC c1ccc([C@@H]2Nc3ccccc3[C@H]2C2CCNCC2)cc1 4202599 XYKATSPCYLYIKN-MOPGFXCFSA-N 278.399 3.937 0 30 CHAC CC(=O)c1cc(C)cc2c(=O)cc(-c3ccccc3)oc12 214108049 URYCRGLXGVKBJS-UHFFFAOYSA-N 278.307 3.971 0 30 CHAC C[C@H](c1ccc(Br)cc1)N1CCCCC1 83442678 BDISBPIAIZBDKU-LLVKDONJSA-N 268.198 3.996 0 30 CHAC O=C(Nc1ccccc1)Nc1cnc2ccccc2c1 13208214 YWUOOPNIQOUJHJ-UHFFFAOYSA-N 263.300 3.879 0 30 CHAC C[C@H](NCC(F)(F)F)c1ccc(Br)cc1 19485191 JCOOCEPQIJXBCG-ZETCQYMHSA-N 282.103 3.662 0 30 CHAC C[S@@](=O)(=NC(=O)c1ccc(Cl)cc1)c1cccs1 100216987 LNRVXIQHDHYFTL-SFHVURJKSA-N 299.804 3.699 0 30 CHAC CC[C@@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O 5924204 FBYZQDCRLYHHHP-ZOVJDJALSA-N 288.431 3.879 0 30 CHAC CCN(CC)CCOCCC1=CC[C@@H]2C[C@H]1C2(C)C 1843013 BZRYYBWNOUALTQ-HZPDHXFCSA-N 265.441 3.727 0 30 CHAC in-man CN(C)c1cc(-c2ccc(Cl)cc2)oc(=O)c1Cl 142356 BPNPNRYPGVAZSZ-UHFFFAOYSA-N 284.142 3.680 0 30 CHAC O=C(c1cc(F)c(F)c(F)c1)c1cc(F)c(F)c(F)c1 238852842 HIFSKWKVYRHUFU-UHFFFAOYSA-N 290.162 3.752 0 30 CHAC CC(=O)OCC[C@@H](c1ccccc1)c1cc(C)ccc1O 504352882 STMWQZRVSXBBEM-INIZCTEOSA-N 284.355 3.786 0 30 CHAC in-vitro N#CP(=O)(Oc1ccccc1)Oc1ccccc1 2572430 PDIOPTPBTWLDDG-UHFFFAOYSA-N 259.201 3.819 0 30 CHAC CC(C)(C)Oc1ccc(CCCCC(=O)O)cc1 71572322 BUBNINABMPBVNK-UHFFFAOYSA-N 250.338 3.661 0 30 CHAC O=C1CS[C@H](c2ccc(Cl)cc2)N1c1cccnc1 99428 WKALALVBUPERKP-CQSZACIVSA-N 290.775 3.514 0 30 CHAC ON=Cc1ccc(Sc2ccc(Cl)cc2)nc1 254822505 IAPLKXUVLRMUMN-UHFFFAOYSA-N 264.737 3.694 0 30 CHAC c1ccc(-c2[nH]ncc2CN2CCc3ccccc3C2)cc1 10003195 WKSSKRDWXMSGDH-UHFFFAOYSA-N 289.382 3.635 0 30 CHAC C[C@H](NCC(F)(F)F)c1cccc(Br)c1 19473303 HYQQJUQVOJODOM-ZETCQYMHSA-N 282.103 3.662 0 30 CHAC C[C@@H](Cc1ccccc1)N[C@H](C)COc1ccccc1 692 URCIJDUOBBSMII-JKSUJKDBSA-N 269.388 3.675 0 30 CHAC in-man CCCCC/C=C\C[C@H](O)/C=C\C=C\CCC(=O)O 33985233 KBOVKDIBOBQLRS-HBARYMQFSA-N 266.381 3.851 0 30 CHAC COC(=O)c1cc2c([nH]c3ccccc32)c(C(F)(F)F)n1 34499458 XNMUMVVPBWOMCS-UHFFFAOYSA-N 294.232 3.522 0 30 CHAC O=C(c1ccccc1Cl)[C@@H](O)c1ccccc1Cl 139131772 XIPVYXVCNZSXSP-ZDUSSCGKSA-N 281.138 3.910 0 30 CHAC COC(=O)[C@@H](C)[C@H]1CCc2c([nH]c3ccc(Cl)cc23)C1 514277783 JKYDVVPZEAJPIC-UWVGGRQHSA-N 291.778 3.735 0 30 CHAC CCCCC(=O)ON=Cc1c(Cl)n(C)c2ccccc12 254399899 DOKPJBJRBXLUMN-UHFFFAOYSA-N 292.766 3.899 0 30 CHAC CC(C)(C)OC(=O)N1C=C(Br)CCCC1 667350879 WXBGEQNCPITVRE-UHFFFAOYSA-N 276.174 3.644 0 30 CHAC CCc1ccc(I)cc1C(C)C 694972416 GFFGQTSLMNHVFP-UHFFFAOYSA-N 274.145 3.977 0 30 CHAC Fc1cccc2c(Cl)ncc(Br)c12 82767442 IUKKMWZMOPEMMG-UHFFFAOYSA-N 260.493 3.790 0 30 CHAC CCCC[C@H]1CC(=O)CCN1C(=O)OCc1ccccc1 216141887 MSZPRILFLGSJTA-HNNXBMFYSA-N 289.375 3.547 0 30 CHAC CCOC(=O)c1ccccc1CN[C@@H](C)c1ccccc1 1772820813 JEPSDWYZNJWRJG-AWEZNQCLSA-N 283.371 3.714 0 30 CHAC Cc1ccc2cc(/C=C/[N+](=O)[O-])c(Cl)nc2c1C 32099819 UABJRIWTAFAIRD-AATRIKPKSA-N 262.696 3.752 0 30 CHAC COc1ccc(Br)c2nccc(Cl)c12 83869548 DQQUICLCJAHEKB-UHFFFAOYSA-N 272.529 3.659 0 30 CHAC CCOc1ccc2nc(Cl)c(/C=C/[N+](=O)[O-])cc2c1 32099808 JKUHYEMCOUYAFS-AATRIKPKSA-N 278.695 3.534 0 30 CHAC CC(C)(C)CC(C)(C)Nc1nc(Cl)nc(Cl)n1 33952467 HPFWYRKGZUGGPB-UHFFFAOYSA-N 277.199 3.805 0 30 CHAC Cc1ccc(NC(=O)NC=Cc2ccco2)c(C)c1 1388902 HXTRZUMTUWPKFW-UHFFFAOYSA-N 256.305 3.689 0 30 CHAC CC(C)=C[C@@H]1[C@@H](C(=O)OCc2ccccc2)C1(C)C 1598392 KIODTPOSZZYFIX-CABCVRRESA-N 258.361 3.968 0 30 CHAC CCCCc1c(C)nc(-c2ccc(Cl)cc2)[nH]c1=O 13468355 KXJUVLVQDVGGTI-UHFFFAOYSA-N 276.767 3.741 0 30 CHAC CCc1ccc(O)c(NC(=O)c2ccc(Cl)cc2)c1 33611380 ZLBNQXDATOISEF-UHFFFAOYSA-N 275.735 3.860 0 30 CHAC Cc1ccc2cc(-c3cccc(C(=O)O)c3)ccc2n1 90397605 ZFRUFNQVDXZPEE-UHFFFAOYSA-N 263.296 3.908 0 30 CHAC C[C@@H](NC(=O)OC(C)(C)C)C(=O)c1ccc2ccccc2c1 208165139 OSQCVPHMTYWESN-GFCCVEGCSA-N 299.370 3.936 0 30 CHAC CSc1nc2ccc(Br)cc2nc1Cl 299856129 HXXGAXDBTDAZGW-UHFFFAOYSA-N 289.585 3.768 0 30 CHAC CCOC(=O)[C@@H](C)c1cccc(OCc2ccccc2)c1 260046626 AFFQVJUIUAKEGQ-AWEZNQCLSA-N 284.355 3.932 0 30 CHAC CCOC(=O)c1c[nH]cc1-c1ccc(Br)cc1 147370588 VDTGZELRBPTCAU-UHFFFAOYSA-N 294.148 3.621 0 30 CHAC CC[C@@H](C)COC(=O)COc1ccc(Cl)cc1C 38652572 LTPSLOILDMNPRQ-SNVBAGLBSA-N 270.756 3.617 0 30 CHAC CC(=O)Nc1cccc(NCCCc2ccccc2)c1 20049829 WAWKQABTSMQFSD-UHFFFAOYSA-N 268.360 3.690 0 30 CHAC CS[C@@]1(c2ccc(C)cc2)CC(C)=C(C)C[S@]1=O 17111747 NYJIOPKPWXYYRX-YJBOKZPZSA-N 280.458 4.000 0 30 CHAC C[C@@H](CN(C)C)Sc1nc2cc(Cl)ccc2s1 15042951 RQXQSMMLRGUKQT-QMMMGPOBSA-N 286.853 3.992 0 30 CHAC COc1cc2ccnc(Cl)c2cc1Br 71482464 PPIUOJLFVXPVET-UHFFFAOYSA-N 272.529 3.659 0 30 CHAC Nc1ccccc1C(=O)c1ccc(Cl)c(Cl)c1 41144199 PQKIRIIJZKBFIG-UHFFFAOYSA-N 266.127 3.807 0 30 CHAC COc1ccccc1-c1cccc2cc(C(=O)O)oc12 118273110 KUHIBBPVHSFXGO-UHFFFAOYSA-N 268.268 3.807 0 30 CHAC c1ccc(CNc2nc(-c3ccccc3)ns2)cc1 74778 NUOCPQITAQQHRD-UHFFFAOYSA-N 267.357 3.817 0 30 CHAC O[C@@H](CCn1ccnc1)c1ccc(-c2ccccc2)cc1 13209934 LVJILDGVTZJXQK-SFHVURJKSA-N 278.355 3.674 0 30 CHAC CO[C@H](c1cccc(Br)n1)C(C)(C)C 306504249 YOSMMSUSMDFZRP-SNVBAGLBSA-N 258.159 3.578 0 30 CHAC CC(C)CCC[C@@H](C)CCOC(=O)C(F)(F)F 139101834 QBDOCEIJXBWDMD-SNVBAGLBSA-N 254.292 3.944 0 30 CHAC C[C@]12CC[C@@H]3[C@@H](CC[C@@]4(O)CC=CC[C@]34C)[C@@H]1CC[C@@H]2O 2265351429 KDSYIIWCLNQJNC-DSEYRMEUSA-N 290.447 3.671 0 30 CHAC Cc1oc(C(C)(C)C)cc1C(=O)NC1Cc2ccccc2C1 148177 VYCQYGGXJCLHNQ-UHFFFAOYSA-N 297.398 3.783 0 30 CHAC CCn1c(=O)c(-c2ccccc2)cc2ccc(N(C)C)cc21 5317360 ONUKVSFEFHPRKD-UHFFFAOYSA-N 292.382 3.754 0 30 CHAC Cc1ccc(C(=O)O)c(-c2ccc(C(F)(F)F)cc2)n1 22067302 YUGUBPKDGLBTIX-UHFFFAOYSA-N 281.233 3.774 0 30 CHAC in-vitro CCOC(=O)c1cccc([C@@H](C)NCc2ccccc2)c1 1772820812 FEGNRPWWYOBTMP-CQSZACIVSA-N 283.371 3.714 0 30 CHAC COc1cc(CC(F)(F)F)ccc1Br 2265384471 HBQHTFBAIWNKQW-UHFFFAOYSA-N 269.060 3.563 0 30 CHAC C[C@@H]1OSOC1(c1ccccc1)c1ccccc1 83291786 GLZOMLLQLCFMGW-LBPRGKRZSA-N 258.342 3.929 0 30 CHAC C[C@]12CC[C@@H]3[C@H](CC[C@]45CC(=O)CC[C@]34C5)[C@H]1CCC2=O 253530399 ZXOGTZPVVUQMNN-VFXRYEDXSA-N 286.415 3.921 0 30 CHAC Clc1ccc2c(c1)C(c1ccccc1)=NCC=N2 5850595 GIVYEEPCHMGCEK-UHFFFAOYSA-N 254.720 3.893 0 30 CHAC C[C@H](NC(=O)CCCCCCCC(=O)O)c1ccccc1 6030392 MYQBZVQSSMCIDR-AWEZNQCLSA-N 291.391 3.679 0 30 CHAC Cc1nc(=S)[nH]c(O)c1Oc1ccc(Cl)cc1 42777696 FGOLGRYNKIMJGX-UHFFFAOYSA-N 268.725 3.599 0 30 CHAC O=C(Nc1cc(O)c2ccccc2c1O)c1ccccc1 33610817 DSMSXTOKFFSPRF-UHFFFAOYSA-N 279.295 3.503 0 30 CHAC O=C(Nc1cccc(-c2ncon2)c1)c1ccc(Cl)cc1 106971 OYRIUFPGCPOLDU-UHFFFAOYSA-N 299.717 3.642 0 30 CHAC CCCSC(=S)c1c(C)nn(-c2ccccc2)c1O 100384236 KQFKPYLNUJVRPI-UHFFFAOYSA-N 292.429 3.705 0 30 CHAC COc1ccc(-c2ccccc2)cc1C(=O)OCl 604934836 YFUNUXMMQQXGPY-UHFFFAOYSA-N 262.692 3.673 0 30 CHAC CC1=N/C(=C\c2sc3ccccc3c2C)C(=O)O1 128114 UZPCVUHTPQGINM-XFFZJAGNSA-N 257.314 3.526 0 30 CHAC Fc1ccc(-c2csc(-c3ccno3)n2)cc1F 113997 PYNBWUIOGVQVOV-UHFFFAOYSA-N 264.256 3.743 0 30 CHAC C[C@@H](NC(=O)CCCCCCCC(=O)O)c1ccccc1 6037163 MYQBZVQSSMCIDR-CQSZACIVSA-N 291.391 3.679 0 30 CHAC Cc1nc2ccc([C@@H](c3ccccc3)n3ccnc3)cc2[nH]1 13884467 DCGOMTSIZLGUOK-GOSISDBHSA-N 288.354 3.706 0 30 CHAC in-man CN(C)c1ccc(NCc2ccc3ccccc3n2)cc1 58733166 HUYRIZGNPRHFLQ-UHFFFAOYSA-N 277.371 3.913 0 30 CHAC Nc1nc(-c2ccc(Cl)cc2)cn1N=Cc1ccccc1 254399284 QPSZQDKINQNBDK-UHFFFAOYSA-N 296.761 3.668 0 30 CHAC O=C(Nc1nccs1)c1cccc2c1-c1ccccc1C2 88140 SIOJQTSGYASYMO-UHFFFAOYSA-N 292.363 3.967 0 30 CHAC CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1OC(=O)c1ccccc1O 2558657 XQPZKMWBRDTOGK-XNJJOIOASA-N 274.360 3.764 0 30 CHAC CSc1ccc(Cl)cc1NC(=O)C(F)(F)F 138949 OYQWJJDRIDKXKU-UHFFFAOYSA-N 269.675 3.563 0 30 CHAC O=C(O)c1cc2ccccc2cc1Nc1ccc(Cl)nn1 21303377 BWGAYZYGZAUNBH-UHFFFAOYSA-N 299.717 3.725 0 30 CHAC CNc1nc2c(C)c(Cc3cccnc3)c(O)c(C)c2s1 26829053 OBOQQXVYVNAPNB-UHFFFAOYSA-N 299.399 3.646 0 30 CHAC NCCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 89065010 KGXOHTRDLONUQE-UHFFFAOYSA-N 271.204 3.616 0 30 CHAC C[n+]1ccccc1C=Cc1ccc(C(C)(C)C)cc1 2265279631 KGHADMFWVHNGDJ-UHFFFAOYSA-N 252.381 3.979 0 30 CHAC Cc1ccc(-c2nc3scc(C)n3c2C=O)cc1C 31863318 YSCFSGCFAGTFOB-UHFFFAOYSA-N 270.357 3.801 0 30 CHAC O[C@H](CNCc1csc2ccccc12)c1ccccc1 19924995 MXZJTIDEWVYZLC-MRXNPFEDSA-N 283.396 3.725 0 30 CHAC CCCC(CCC)C(=O)N1C[C@H](c2ccccc2)CC1=O 3099401 XJCMFNRCIUXOBH-MRXNPFEDSA-N 287.403 3.746 0 30 CHAC O=C(Nc1ccc(-c2csnn2)cc1)c1cccs1 106359 LBOIZIOMWTVPTN-UHFFFAOYSA-N 287.369 3.519 0 30 CHAC Fc1ccc2[nH]c(C(Cl)(Cl)Cl)nc2c1 95935702 JATYRDKBUCGUMW-UHFFFAOYSA-N 253.491 3.529 0 30 CHAC Nc1nc([C@H]2CCC[C@@H](C(F)(F)F)C2)cs1 96378700 WGCRIVRYJBMPGZ-NKWVEPMBSA-N 250.289 3.561 0 30 CHAC CSc1nc2ccccc2c(=O)n1-c1c(C)cccc1C 72579 ITTQCOAEHGPRKU-UHFFFAOYSA-N 296.395 3.724 0 30 CHAC Clc1ccc2c(c1)C(c1ccccc1)=NCCN2 2039310 JZWOKDTXYPEJEW-UHFFFAOYSA-N 256.736 3.603 0 30 CHAC in-vitro Cc1ccc2c(c1)N1CCN(C)C[C@H]1c1ccccc1O2 31474719 AQCUOHAOVDYWGZ-INIZCTEOSA-N 280.371 3.594 0 30 CHAC CCN(CCNc1ccccc1)Cc1ccccc1 37635441 KIMHIAYVHBXXMK-UHFFFAOYSA-N 254.377 3.621 0 30 CHAC Cc1ccc(-c2cc(Br)on2)c(C)c1 223523367 WVNDSRCTOJPHDC-UHFFFAOYSA-N 252.111 3.721 0 30 CHAC CCC[C@@H](OC(=O)C(C)C)[C@@H](CC)COC(=O)C(C)C 139186740 VQMFIHQBOYTCJD-UONOGXRCSA-N 286.412 3.580 0 30 CHAC C[C@H](CN(C)C)Sc1nc2cc(Cl)ccc2s1 15042954 RQXQSMMLRGUKQT-MRVPVSSYSA-N 286.853 3.992 0 30 CHAC O=C(c1ccccc1)n1cc2c(n1)-c1ccccc1CS2 142680 KFPPTODMSZHOCQ-UHFFFAOYSA-N 292.363 3.844 0 30 CHAC CCn1c([C@@H](C)Oc2ccc(Cl)cc2)n[nH]c1=S 163591 ZSVKAUICNCCCPU-MRVPVSSYSA-N 283.784 3.754 0 30 CHAC O=C(c1cccc2c1-c1ccccc1C2)N1CCCCC1 135065 AJGMCYGFFBIENV-UHFFFAOYSA-N 277.367 3.884 0 30 CHAC C[C@@H]1C[C@@H](CC(=O)[C@@H]2CCCC2=O)CC(C)(C)C1 33608067 JIJOZOBTAJWEID-FRRDWIJNSA-N 250.382 3.777 0 30 CHAC FC(F)Oc1ccc(Br)cc1OC(F)F 72190239 AQQTZBFTWUMUQQ-UHFFFAOYSA-N 289.022 3.652 0 30 CHAC C[C@H](Cn1ccnc1)[C@@H](O)c1ccc(-c2ccccc2)cc1 13209502 CLXBBIBLVPFFJA-DNVCBOLYSA-N 292.382 3.920 0 30 CHAC Cc1cccc(C)c1NC(=O)NC=Cc1ccco1 2265270033 AKOWYPRDZSLWEG-UHFFFAOYSA-N 256.305 3.689 0 30 CHAC CCc1ccccc1-n1c(=S)[nH]c2ccc(C)cc2c1=O 98130 RIRFVTOCMCOUQB-UHFFFAOYSA-N 296.395 3.919 0 30 CHAC Cc1noc2ncnc(SCc3ccc(Cl)cc3)c12 124230 ZYUFFKUJDOZOQM-UHFFFAOYSA-N 291.763 3.872 0 30 CHAC CCc1cccc2cc(/C=C/[N+](=O)[O-])c(Cl)nc12 32099805 PXZZKMSKZPNMAN-VOTSOKGWSA-N 262.696 3.698 0 30 CHAC CC1(C)Oc2ccc(/C=C/c3cc(O)cc(O)c3)cc2O1 5762629 WDSMCLLELZZMDO-ONEGZZNKSA-N 284.311 3.776 0 30 CHAC ClP(Cl)c1cccc(Br)c1 136876918 KLZLHHPRACTBIF-UHFFFAOYSA-N 257.882 3.864 0 30 CHAC COc1ccc(-c2[nH]c(=S)n3ccccc23)cc1 148860339 GFNQMXZZJQAJHC-UHFFFAOYSA-N 256.330 3.672 0 30 CHAC Cc1ccc(S(=O)(=O)c2ccc(C)cc2C)c(C)c1 5765302 CWZZFEROKOHBGT-UHFFFAOYSA-N 274.385 3.753 0 30 CHAC CCOC(=O)C[C@H]1CCc2c(C)cc(Br)cc21 261069661 OZURUMSYNJLNJA-SNVBAGLBSA-N 297.192 3.741 0 30 CHAC O=C1OC(c2ccccc2)(c2ccccc2)[C@@H]2CCCN12 2390431 BEXXCWDIWBCVFX-INIZCTEOSA-N 279.339 3.545 0 30 CHAC CC(C)(C)C(=O)c1c2occc2cc2ccc(=O)oc12 14719055 JNRHTGMSAIBCNM-UHFFFAOYSA-N 270.284 3.768 0 30 CHAC Cc1cccc(-c2nc3cc(Cl)ccc3n2C)c1O 37440912 IRZCVRUVHYTHPQ-UHFFFAOYSA-N 272.735 3.908 0 30 CHAC CCOC(=O)[C@@]1(CCCCCc2ccc(Cl)cc2)CO1 1853738 DNORZUSMZSZZKU-MRXNPFEDSA-N 296.794 3.775 0 30 CHAC FC(F)(F)C1(c2cccc(Br)n2)CCC1 2265384915 HATJCWMOERXPSM-UHFFFAOYSA-N 280.087 3.828 0 30 CHAC CC(C)(C)c1cc2ncnc(N3CCSCC3)c2s1 117059 FNZBEZXVCTUTOM-UHFFFAOYSA-N 293.461 3.542 0 30 CHAC c1ccc(CCC[C@@H]2NCCc3ccccc32)cc1 70209492 ZIFKNYPBHUTZEG-SFHVURJKSA-N 251.373 3.896 0 30 CHAC COc1ccc2c(c1)C1=CC3=C(C)N(C)CCC3=C(C)[C@@H]1N2 141776671 GFOZMXWOOABROL-IBGZPJMESA-N 294.398 3.812 0 30 CHAC O=C(OCCSc1ccccn1)c1cccc(Cl)c1 3118374 HHPLOGQPAAXEKC-UHFFFAOYSA-N 293.775 3.684 0 30 CHAC FC(F)(F)c1c(Cl)cncc1Br 95763747 XRQUNZMUXSGJDY-UHFFFAOYSA-N 260.440 3.516 0 30 CHAC COc1ccc(-c2cn(C(=O)c3cccs3)nc2C)cc1 109896 DMMUNGRJPXEETA-UHFFFAOYSA-N 298.367 3.617 0 30 CHAC COc1ccccc1-c1csc(Nc2cccnc2)n1 108875 LSZJFUSOCHQGQR-UHFFFAOYSA-N 283.356 3.957 0 30 CHAC O=C(O)c1cnc2ccccc2c1SC1CCCC1 62829109 YLHSEUMPISCHNW-UHFFFAOYSA-N 273.357 3.968 0 30 CHAC in-vitro CC(C)(C)OC(=O)/C=C1/CCCN(Cc2ccccc2)C1 405973731 JZMSRLXZGIJAJF-VBKFSLOCSA-N 287.403 3.551 0 30 CHAC CCCc1ccc(N2C(=O)[C@@H]3CC[C@H](C)C[C@H]3C2=O)cc1 252428547 LJLUHCWJHIETCP-APHBMKBZSA-N 285.387 3.565 0 30 CHAC Cc1cc(N=Cc2c(Cl)[nH]c3ccccc23)[nH]n1 254415614 WWUWCZSKLPOLLZ-UHFFFAOYSA-N 258.712 3.603 0 30 CHAC COc1ccc(C(=O)CN2CCCc3cc(C)ccc32)cc1 146126 ZDEJZSXSEHDCIB-UHFFFAOYSA-N 295.382 3.639 0 30 CHAC Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccccc1F 66346 MTGGRAPODRYWNG-UHFFFAOYSA-N 298.239 3.800 0 30 CHAC CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)cc2)C1 66339707 FEOHINGRIOZVFW-GFCCVEGCSA-N 265.328 3.550 0 30 CHAC Cc1cc(C)nc(NC(=S)Nc2cccc(F)c2)c1 96809735 QZKYBSHSSVYMHZ-UHFFFAOYSA-N 275.352 3.646 0 30 CHAC COc1ccc2c(c1)C1=C(C)C3=CN(C)C=CC3=C(C)[C@@H]1N2 223740386 FPTJZSMVQGCXST-IBGZPJMESA-N 292.382 3.936 0 30 CHAC O[C@@H]1CCCC[C@@H]1Sc1ccc(Br)cc1 37491038 OBDOVCIIWHGDPK-NEPJUHHUSA-N 287.222 3.845 0 30 CHAC C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](N)CC[C@@]43C)[C@H]1CC[C@H]2O 2265351348 FCUGCTSXLBPRJB-RUOITVIXSA-N 289.463 3.637 0 30 CHAC CCOC(=O)c1ccc([C@H](C)NCc2ccccc2)cc1 1772820823 YWGAOYJRCHBFDZ-AWEZNQCLSA-N 283.371 3.714 0 30 CHAC O=C(NC=Cc1ccco1)OCc1cccc(Cl)c1 2265278834 AQKNTZJQLSBCAR-UHFFFAOYSA-N 277.707 3.830 0 30 CHAC CNC[C@H]1c2ccccc2CSc2ccccc21 5525972 PWVVWWGUYVRUCH-HNNXBMFYSA-N 255.386 3.644 0 30 CHAC CN1CCC(C)(C)c2ccc(Br)cc21 98180725 RLEQNPQAMRXNPT-UHFFFAOYSA-N 254.171 3.567 0 30 CHAC O=C(c1ccccc1Cl)N1CCC(n2cccc2)CC1 170439 GFMSOBROAIFTBQ-UHFFFAOYSA-N 288.778 3.619 0 30 CHAC C[C@@H](COc1ccccc1)N[C@H](C)Cc1ccccc1 1842963 URCIJDUOBBSMII-CVEARBPZSA-N 269.388 3.675 0 30 CHAC in-man COc1c(Cl)cccc1-c1cn2ccc(C)cc2n1 73826 BMWJOZMTBDHSTF-UHFFFAOYSA-N 272.735 3.972 0 30 CHAC O=S(=O)(c1ccccc1)c1ccccc1C(F)(F)F 150205 HFHIRIFLPGQKFI-UHFFFAOYSA-N 286.274 3.538 0 30 CHAC CCOC(=O)c1c(-c2ccccc2)cc(C)nc1C 21989913 OQVGXASMCWLVHD-UHFFFAOYSA-N 255.317 3.542 0 30 CHAC O=C(C=Cc1ccco1)Nc1ccc(C(F)(F)F)cc1 2265239491 SEPWWQXPLFECMH-UHFFFAOYSA-N 281.233 3.950 0 30 CHAC Cc1csc(NC(=O)Nc2ccc3nsnc3c2)c1 12340894 KNTHDXULFAFVBJ-UHFFFAOYSA-N 290.373 3.705 0 30 CHAC S=C(Nc1ccc2[nH]ccc2c1)NC1CCCCC1 81235 MXHAGAOJRATTSR-UHFFFAOYSA-N 273.405 3.787 0 30 CHAC Nc1nc(-c2ccc3c(c2)CCCC3)cc(C(F)(F)F)n1 146925 LFAAYXOQRLVGPD-UHFFFAOYSA-N 293.292 3.623 0 30 CHAC Cc1noc(C)c1-c1nnc(-c2cccc(Cl)c2)o1 112196 QLCATQKPSSTUDZ-UHFFFAOYSA-N 275.695 3.662 0 30 CHAC Clc1cccc(Oc2ncc(Br)cn2)c1 67119726 VAMQVRMZSPQBNI-UHFFFAOYSA-N 285.528 3.685 0 30 CHAC O=C(N/C=C/c1ccco1)Nc1cccc(Cl)c1 81749 FGOHEVRTHQIYGO-VOTSOKGWSA-N 262.696 3.725 0 30 CHAC CCCC(CCC)C(=O)N1C[C@@H](c2ccccc2)CC1=O 6475 XJCMFNRCIUXOBH-INIZCTEOSA-N 287.403 3.746 0 30 CHAC O=C(CCCOCc1ccccc1)OCc1ccccc1 34516806 PNNLBKXJLQWDBH-UHFFFAOYSA-N 284.355 3.727 0 30 CHAC CCc1ccc(OCc2ccccc2C(=O)O)cc1 11822534 XVPXUSQAOFUPNT-UHFFFAOYSA-N 256.301 3.526 0 30 CHAC O=c1c(Cl)c(Oc2ccccc2)cnn1-c1ccccc1 132199 JDMPNDZQOAKOIT-UHFFFAOYSA-N 298.729 3.678 0 30 CHAC N=[S@@](=O)(c1ccc(Cl)cc1)c1cccs1 100217171 SZYXMCPOYBQEKI-OAHLLOKOSA-N 257.767 3.866 0 30 CHAC Fc1cc(OCc2cscn2)ccc1Br 78468946 QNRVDHFALUARTJ-UHFFFAOYSA-N 288.141 3.624 0 30 CHAC c1ccc(CNC[C@H]2C[C@@H]2COCc2ccccc2)cc1 95930037 ZCDFWVQHVLLGPE-RTBURBONSA-N 281.399 3.629 0 30 CHAC Nc1ccc2c(C(F)(F)F)cc(C(F)(F)F)cc2n1 149427954 OZJXAZVQUFSTOC-UHFFFAOYSA-N 280.171 3.855 0 30 CHAC C[C@H](CCCC(C)(C)O)C[C@@H](O)OCCc1ccccc1 33609202 LWPLJHROTQIHMD-WBVHZDCISA-N 294.435 3.532 0 30 CHAC CCC1(C)CC(=O)N(c2ccc(F)c(Cl)c2)C(=O)C1 3119548 DDLZPBKVXXYIMN-UHFFFAOYSA-N 283.730 3.549 0 30 CHAC CC(=O)C(C)(C)NC(c1ccccc1)c1ccccc1 38679947 JHZOJXBTTHOIQH-UHFFFAOYSA-N 267.372 3.733 0 30 CHAC COC(=O)[C@]1(C)CCC[C@@]2(C)c3cc(O)ccc3CC[C@H]12 14660702 HRZWXLUBKWXXNM-RYQLBKOJSA-N 288.387 3.576 0 30 CHAC Nc1nc(-c2ccncc2)nc2sc3c(c12)CCCCC3 137198 OELNWPFOCLZLJD-UHFFFAOYSA-N 296.399 3.604 0 30 CHAC CCCc1cc(=O)c2cc(Cl)cc(Cl)c2[nH]1 32099926 YWTWNHAQTRYWML-UHFFFAOYSA-N 256.132 3.787 0 30 CHAC Cc1cc([C@H](N)CCOc2ccccc2)ccc1F 53829636 JLMFCHAKDZUAHG-MRXNPFEDSA-N 259.324 3.603 0 30 CHAC CN(C(=O)c1c(F)cccc1Cl)C1CCCCC1 154865 SOFJAWFTYRLZBI-UHFFFAOYSA-N 269.747 3.884 0 30 CHAC Cn1nc(-c2ccc(-c3cc[nH]n3)s2)cc1C(F)(F)F 125953 VXSCQYXURWSSHV-UHFFFAOYSA-N 298.293 3.558 0 30 CHAC CCCN1CCN(c2cccc(Cl)c2Cl)CC1 95556478 IPVPEZGOUYWZAJ-UHFFFAOYSA-N 273.207 3.525 0 30 CHAC C[C@H](C(=O)O)c1ccc(C(=O)c2cccs2)c(Cl)c1 165 NLGUJWNOGYWZBI-QMMMGPOBSA-N 294.759 3.821 0 30 CHAC in-man Cc1ccc(NC(=O)OC(C)(C)C)c2c1NCCC2 19408131 ZFVPOHVXQAUDCR-UHFFFAOYSA-N 262.353 3.700 0 30 CHAC in-vitro O=C(C=Cc1ccco1)Nc1ccc(F)c(Cl)c1F 2265276920 UDVVYWWHTKMMAM-UHFFFAOYSA-N 283.661 3.863 0 30 CHAC CCOC(=O)Cc1ccc2nc(-c3ccccc3)oc2c1 2005495 NYRJACZZPCHARO-UHFFFAOYSA-N 281.311 3.600 0 30 CHAC Cc1ccc([C@@H](O)[C@H](C)C(=O)c2ccccc2)cc1 21996851 VMHIDNSPRCRSKI-DYVFJYSZSA-N 254.329 3.547 0 30 CHAC C[C@@H]1C[C@H](CC(=O)[C@@H]2CCCC2=O)CC(C)(C)C1 33608071 JIJOZOBTAJWEID-JHJVBQTASA-N 250.382 3.777 0 30 CHAC CCOC(=O)c1cnc2ccc(CC)cc2c1Cl 19808115 ARIWKBVTZWASFK-UHFFFAOYSA-N 263.724 3.627 0 30 CHAC CC(=O)c1ccc(N2C(C)=CC(C)(C)N=C2S)cc1 1998755 GWNDISICAKEBKR-UHFFFAOYSA-N 274.389 3.677 0 30 CHAC CC1(C)C(=O)C[C@H]1c1ccc(Br)cc1 88177524 LNWBORBIJZQKRJ-JTQLQIEISA-N 253.139 3.532 0 30 CHAC CN(C)CC/C=C1\c2ccccc2COc2ccc(O)cc21 65742875 GRQPGTWGEQWMMM-CAOOACKPSA-N 295.382 3.668 0 30 CHAC in-vitro CCOc1ccc(Oc2ccc(C(=O)O)cc2)cc1 20080654 CTYBOVOJVOGGII-UHFFFAOYSA-N 258.273 3.576 0 30 CHAC Brc1cnc2[nH]cc(-c3ccccc3)c2c1 63298174 OADRBDVURCEKRP-UHFFFAOYSA-N 273.133 3.992 0 30 CHAC FC(F)(F)c1ccncc1-c1noc(-c2ccccc2)n1 77563 AWSRBIQPXPBDPT-UHFFFAOYSA-N 291.232 3.817 0 30 CHAC CCOC(=O)CCc1ccc(-c2ccccc2)cc1 59394372 CDOMXVVPMVTUNT-UHFFFAOYSA-N 254.329 3.849 0 30 CHAC CCc1ccccc1NC(=O)c1cnccc1C(F)(F)F 77782 RJVBSFFVAFDRMJ-UHFFFAOYSA-N 294.276 3.915 0 30 CHAC Cc1ccc(NC(=O)N/C=C/c2ccsc2)cc1 116380 VOLVYYSRLDZXEL-SOFGYWHQSA-N 258.346 3.849 0 30 CHAC CCOC(=O)CC1(O)CCCCCCCCCCC1 36461070 DOYUNYYERFSZJK-UHFFFAOYSA-N 270.413 3.975 0 30 CHAC Brc1cccc([C@H]2OCCCS2)c1 39325860 MEEWQZWPLNYYER-JTQLQIEISA-N 259.168 3.601 0 30 CHAC C[C@]12CC[C@H]3[C@H]4CCC(=O)C[C@H]4CC[C@H]3[C@H]1CC[C@@H]2O 96030583 RHVBIEJVJWNXBU-YNWVFCQCSA-N 276.420 3.569 0 30 CHAC in-vitro O=c1oc(/C=C/C=C/c2ccc(O)cc2)nc2ccccc12 6117576 ASJBOIQMTVOWBG-LZSLGQGWSA-N 291.306 3.620 0 30 CHAC CC(C)(C)[C@H]1CC[C@H](OC(=O)Cc2ccncc2)CC1 575630075 IKQALCFUJBVZDS-SHTZXODSSA-N 275.392 3.772 0 30 CHAC O=C(O)c1sc(C(F)(F)F)nc1-c1ccccc1 107779633 ZNZYZDQZSPCUPM-UHFFFAOYSA-N 273.235 3.527 0 30 CHAC CCSc1ncc(C=NNc2ccc(Cl)cc2)n1C 15923826 VXHDIPBISFRJKK-UHFFFAOYSA-N 294.811 3.632 0 30 CHAC CC1(C)CC(C)(C)N2OC(=S)N(c3ccccc3)[C@H]21 32217620 NZPYYEQFTWEQEI-GFCCVEGCSA-N 276.405 3.560 0 30 CHAC CCN1CC[C@@H](OC(c2ccccc2)c2ccccc2)C1 33639157 QJEGCMDUXKGGPK-GOSISDBHSA-N 281.399 3.887 0 30 CHAC O=C(Nc1cncc2ccccc12)OCc1ccccc1 307062941 NPAZCCBZZQMCOQ-UHFFFAOYSA-N 278.311 3.984 0 30 CHAC Nc1ccc(C(c2ccccc2)c2ccccc2)nc1 38222611 ZEUAGPNOMWQKFO-UHFFFAOYSA-N 260.340 3.844 0 30 CHAC Nc1ccc(-c2cccc(OC(F)(F)F)c2)cc1F 61703074 SXGAIXHPMJFHEM-UHFFFAOYSA-N 271.213 3.974 0 30 CHAC in-vitro CCC1([C@@H]2N=C(c3ccccc3)OC2=O)CCCCC1 39140041 ZANNKVOZIGJZAG-CQSZACIVSA-N 271.360 3.719 0 30 CHAC Sc1nnc(C2c3ccccc3Oc3ccccc32)o1 4335965 PKCQVEMMCDUHKM-UHFFFAOYSA-N 282.324 3.644 0 30 CHAC CCOC(=O)c1ncoc1-c1ccc(C(F)(F)F)cc1 107212 DXJUVUUTBPYMLF-UHFFFAOYSA-N 285.221 3.537 0 30 CHAC CSc1nnc(C2CC2)n1-c1cccc(Cl)c1 89460 MDFPQGSOZURVTO-UHFFFAOYSA-N 265.769 3.520 0 30 CHAC O=C1Nc2ccccc2[C@H]1Cc1ccc(Cl)cc1 100242880 MNMZQPVZOVEXHO-CYBMUJFWSA-N 257.720 3.618 0 30 CHAC Clc1ccc(CN2CC[C@]3(CCCNC3)C2)cc1Cl 573608491 SQBYRDICJDVYRZ-HNNXBMFYSA-N 299.245 3.569 0 30 CHAC COc1ccc(CC(=O)O)cc1-c1ccc(Cl)cc1 2033335 HOSXFBPAUOSEAP-UHFFFAOYSA-N 276.719 3.643 0 30 CHAC Cc1nc2ccc([C@H](c3ccccc3)n3ccnc3)cc2[nH]1 5424882 DCGOMTSIZLGUOK-SFHVURJKSA-N 288.354 3.706 0 30 CHAC in-man Cc1[nH]c2ccccc2c1[C@@H](NO)c1cccs1 1536221403 CKGMFEJPURQNBH-AWEZNQCLSA-N 258.346 3.606 0 30 CHAC O=C(NCCc1cccs1)c1ccc(C(F)(F)F)cc1 106887 YZEUXJUJISJLMK-UHFFFAOYSA-N 299.317 3.739 0 30 CHAC FC(F)(F)c1nc(Cl)sc1Br 299805531 SLLXNMHYGVZKAI-UHFFFAOYSA-N 266.469 3.578 0 30 CHAC Cc1cc(C)cc(NC(=O)N(C)Cc2ccccc2)c1 155801 SMVJWHNDUFPHPG-UHFFFAOYSA-N 268.360 3.967 0 30 CHAC CCN1CC[C@H](OC(c2ccccc2)c2ccccc2)C1 33639156 QJEGCMDUXKGGPK-SFHVURJKSA-N 281.399 3.887 0 30 CHAC CNCC[C@@H](Oc1cccc(C)c1)c1ccccc1 34639644 JJKJMPPFRLCYEB-QGZVFWFLSA-N 255.361 3.725 0 30 CHAC in-vitro COc1ccc(CC(C)C)c2c1CCC[C@H]2N(C)C 198702965 ILFCIRYEOGUUNC-OAHLLOKOSA-N 261.409 3.833 0 30 CHAC CC[C@@H](C)OC(=O)[C@H](C)Oc1ccc(Cl)cc1C 3604084 JNJWTHMHROHMGZ-MNOVXSKESA-N 270.756 3.757 0 30 CHAC CC(C)(C)OC(=O)c1ccc(F)c(C(F)(F)F)c1 104421083 ZGLMKETXPCAWCU-UHFFFAOYSA-N 264.218 3.800 0 30 CHAC O=C(CC(F)(F)F)c1cccc(Br)c1 688561249 BSFRMTVEIUQYPC-UHFFFAOYSA-N 267.044 3.584 0 30 CHAC CCCCc1ccc(C(=O)O)c(C(=O)O)c1CCCC 102295558 NUONTTMMRCYJMI-UHFFFAOYSA-N 278.348 3.768 0 30 CHAC COC(=O)CCCC(=O)c1cc(Cl)c(C)cc1Cl 2265356033 OHZOHEWOIOHQRE-UHFFFAOYSA-N 289.158 3.828 0 30 CHAC Cc1cc(NC(=O)NCc2ccccc2)c(C(F)(F)F)o1 148082 FIRGKACKPSIJDJ-UHFFFAOYSA-N 298.264 3.929 0 30 CHAC CCCN(CCC)C[C@@H]1CCCCN1C(=O)OC(C)(C)C 888084754 OOGLDMHAKUGPPN-HNNXBMFYSA-N 298.471 3.898 0 30 CHAC COCc1ccc(CCN[C@H](C)c2ccccc2)cc1 2265362243 RLUGRAMSDIGZMA-OAHLLOKOSA-N 269.388 3.726 0 30 CHAC CC[C@@H](O)C(C[C@H](C)NC)(c1ccccc1)c1ccccc1 5924348 KYHAUJGXNUJCTC-QFBILLFUSA-N 297.442 3.742 0 30 CHAC CC(=O)Nc1cccc2c(Cl)cc(Cl)c(O)c12 39124016 RAFNFWNXLSSMPX-UHFFFAOYSA-N 270.115 3.811 0 30 CHAC O=C(CCc1ccccc1)OCCCc1ccccc1 6096158 KLDUFQGXXVNTDL-UHFFFAOYSA-N 268.356 3.795 0 30 CHAC Cc1cccc(-c2nc(C)c(CCC(C)C)c(=O)[nH]2)c1 18044207 XUSWUVRAJILHNU-UHFFFAOYSA-N 270.376 3.642 0 30 CHAC COC=C1CN(C(c2ccccc2)c2ccccc2)C1 91361781 PFDLMLXAYRDTNX-UHFFFAOYSA-N 265.356 3.622 0 30 CHAC CCCc1ccc(N2C(=O)[C@H]3C[C@H](C)CC[C@H]3C2=O)cc1 100394020 LJLUHCWJHIETCP-WQVCFCJDSA-N 285.387 3.565 0 30 CHAC O=C(c1cccs1)N1CCCC[C@H]1c1ccccn1 155906 SZAOKJLYLLSFHR-ZDUSSCGKSA-N 272.373 3.511 0 30 CHAC O=[P@]1(Oc2ccc(Cl)cc2)Nc2ncccc2O1 267329188 RUILJYRHGAYARN-SFHVURJKSA-N 282.623 3.726 0 30 CHAC NCCO[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 3609275 ZBBVHMNIPBVCRP-HNNXBMFYSA-N 279.742 3.544 0 30 CHAC in-man O=C1CSc2c1cc(Cl)c(Cl)c2Cl 38634177 LSBZTYVKDWRXNX-UHFFFAOYSA-N 253.537 3.935 0 30 CHAC COc1ccc(C(=O)c2cc(Br)cs2)cc1 70598634 PQNFLRZGOSZHTM-UHFFFAOYSA-N 297.173 3.750 0 30 CHAC O=c1c(Br)coc2cc(Cl)c(Cl)cc12 90484723 CQUPCLAJTACPCV-UHFFFAOYSA-N 293.931 3.862 0 30 CHAC CC1=Nc2ccccc2C[C@@H](c2ccccc2)N1C 202 STDYWHYUOSSCBO-KRWDZBQOSA-N 250.345 3.966 0 30 CHAC in-man COc1cc(CC[C@@H](C)NCc2ccccc2)ccc1O 132935 GEKRZHUGDNWIIB-CQSZACIVSA-N 285.387 3.512 0 30 CHAC Cc1n[nH]c(C)c1Sc1nc2ccccc2s1 127855 JEYGYYKZMURZRR-UHFFFAOYSA-N 261.375 3.787 0 30 CHAC c1ccc(-c2cc(-c3n[nH]nc3-c3ccccc3)[nH]n2)cc1 32272074 RBAIZKVLTZPIEH-UHFFFAOYSA-N 287.326 3.529 0 30 CHAC CC(C)(C)C[C@@H](O)/C=C/c1ccc2c(c1Cl)OCO2 1855022 IARNWHAWGIVNKL-MALLOTDXSA-N 282.767 3.879 0 30 CHAC O=C(O)C1(Oc2ccc(Br)cc2)CCCCC1 41943083 UCCPWPOONPMWDS-UHFFFAOYSA-N 299.164 3.615 0 30 CHAC CCCCOc1ccc(C(=O)[C@@H](C)N2CCCCC2)cc1 38632845 GTVLVUISDRKFTD-OAHLLOKOSA-N 289.419 3.923 0 30 CHAC Clc1ccc(-n2nc3c(c2Cl)CCC3)cc1 59841888 GMOFNHKUGGOHBQ-UHFFFAOYSA-N 253.132 3.668 0 30 CHAC CCCc1cc(C(=O)c2ccccc2F)ccc1O 60007185 DEATYYLYGQSACH-UHFFFAOYSA-N 258.292 3.715 0 30 CHAC COCCCn1c(C)csc1=Nc1ccc(Cl)cc1 334157457 JJPJDOKXJJABSP-UHFFFAOYSA-N 296.823 3.780 0 30 CHAC COC(=O)c1cc2c(F)cc(Br)cc2s1 95935932 XEGDUZMNLBMBHT-UHFFFAOYSA-N 289.125 3.590 0 30 CHAC Cc1ccsc1CNC(=O)c1ccc(Cl)cc1 147842 WKGNQNADYCEMPG-UHFFFAOYSA-N 265.765 3.640 0 30 CHAC Cc1ccc(CSc2ncnc3onc(C)c23)cc1 124232 VJCITWQWANYIRB-UHFFFAOYSA-N 271.345 3.527 0 30 CHAC COc1ccccc1-c1nnc(SC)n1-c1ccccc1 81578 LNVKCDWPBSIVGH-UHFFFAOYSA-N 297.383 3.665 0 30 CHAC Clc1cccc(-c2n[nH]c(-c3ccccc3)n2)c1 158391 IHRPRJDMHMNMII-UHFFFAOYSA-N 255.708 3.792 0 30 CHAC O=C(Nc1ccno1)Nc1ccc(Cl)cc1Cl 122417 DDEFDHBAPLUCLF-UHFFFAOYSA-N 272.091 3.625 0 30 CHAC COCCCC[C@@H](N)c1ccc(C(F)(F)F)cc1 306096055 MOBUMRDDSCWPRD-GFCCVEGCSA-N 261.287 3.522 0 30 CHAC CS[C@]1(c2ccc(C)cc2)CC(C)=C(C)C[S@@]1=O 339261 NYJIOPKPWXYYRX-CRAIPNDOSA-N 280.458 4.000 0 30 CHAC Clc1ccc2c(c1)[C@H]1CNC[C@H]1c1ccccc1O2 40135812 DQUCRGAOGUQHJQ-UONOGXRCSA-N 271.747 3.916 0 30 CHAC in-vitro O=c1oc(-c2cccc(F)c2F)cc2ccccc12 137138532 SEOQBNZBNKLJOM-UHFFFAOYSA-N 258.223 3.738 0 30 CHAC COP(=O)(Cc1c(Cl)cccc1Cl)OC 96395113 QTLHZYQOCNDPAF-UHFFFAOYSA-N 269.064 3.979 0 30 CHAC CCOC(=O)[C@@H]1[C@H](CC(Cl)(Cl)Cl)C1(C)C 5857049 BFRKWUSVYDWEBX-BQBZGAKWSA-N 273.587 3.582 0 30 CHAC Cc1nc(Cl)c(C)c(Cl)c1Br 79045968 SMGJHWRSMIRDBR-UHFFFAOYSA-N 254.942 3.768 0 30 CHAC CN(C)C=Nc1nc(-c2ccc(Cl)cc2)cs1 254522679 WKWSJMZZPQSQPD-UHFFFAOYSA-N 265.769 3.685 0 30 CHAC CC(C)(C)OC(=O)N1CCC2(CC[C@H](CF)C2)CC1 396158557 KPSAYZHOHXCGTH-LBPRGKRZSA-N 271.376 3.773 0 30 CHAC O=C(c1ccc(-c2ccccc2)cc1)c1cccnc1 34403957 DRIKHOZQBVFKPA-UHFFFAOYSA-N 259.308 3.980 0 30 CHAC in-vitro CSc1nnc(NCc2cccc(Cl)c2)s1 101198 XKYFCSNWLAVSKV-UHFFFAOYSA-N 271.798 3.526 0 30 CHAC CCCCc1ccc(NC(=O)Nc2cc(C)nn2C)cc1 4324963 BZXWAYMOBXLQCU-UHFFFAOYSA-N 286.379 3.715 0 30 CHAC CC(C)N1CCC(=O)N(c2ccc(C(C)(C)C)cc2)C1=O 153174 ZQESOBNZLIMZJE-UHFFFAOYSA-N 288.391 3.551 0 30 CHAC CCOC(=O)c1c(C2CCCCC2)csc1N 3277954 WYJCNFXJKNFUBR-UHFFFAOYSA-N 253.367 3.555 0 30 CHAC in-vitro Cc1cc(C)c(NC(=S)NCc2ccco2)c(C)c1 116467 IWMYOKFXXQFASC-UHFFFAOYSA-N 274.389 3.691 0 30 CHAC CC1=C[C@H]2c3c(O)cc(O)cc3OC(C)(C)[C@H]2CC1 149641265 WRBRAMOWKIFTPD-NEPJUHHUSA-N 260.333 3.709 0 30 CHAC Cc1cccc(N[C@@H](C(=O)O)c2ccc(Cl)cc2)c1 4244728 AVWADDSNJAZTKD-CQSZACIVSA-N 275.735 3.886 0 30 CHAC O=C(O)c1cn2c(-c3ccc4ccccc4c3)csc2n1 3749100 COPVWRBUVKGZES-UHFFFAOYSA-N 294.335 3.914 0 30 CHAC CC(C)(C)NNC(=S)Nc1ccc(Cl)c(Cl)c1 99637 XJGXYSHQBPSVRO-UHFFFAOYSA-N 292.235 3.583 0 30 CHAC Cc1ccc(Br)cc1C(=O)C(F)(F)F 83256526 WJAUJCIDJPNGRK-UHFFFAOYSA-N 267.044 3.503 0 30 CHAC O=C(Nc1ccc(-c2cnco2)cc1)c1ccccc1 106257 KCFZUNVAXAAJDD-UHFFFAOYSA-N 264.284 3.594 0 30 CHAC O=C(OC1CCSCC1)c1ccc2ccccc2c1 2265352210 VTVSVSWFSQPLOS-UHFFFAOYSA-N 272.369 3.892 0 30 CHAC O=c1[nH]c(-c2ccccc2C(F)(F)F)nc2ccccc12 53845831 HTYVBBVHPPVOSE-UHFFFAOYSA-N 290.244 3.609 0 30 CHAC O=C1Nc2ccccc2/C1=C/c1c[nH]nc1-c1cccs1 151527 WNXOOONCCPXFAL-WQLSENKSSA-N 293.351 3.631 0 30 CHAC Cc1ccc(Br)cc1CN1CCCCC1 307266233 GOLXBULVPVNOHI-UHFFFAOYSA-N 268.198 3.743 0 30 CHAC C[C@@H](COc1ccccc1)N[C@@H](C)Cc1ccccc1 1842961 URCIJDUOBBSMII-HOTGVXAUSA-N 269.388 3.675 0 30 CHAC in-man CO[C@@H]1CCCN[C@@H]1[C@H](c1ccccc1)C1CCCC1 31561976 LFOIUEXTRFPFPZ-KURKYZTESA-N 273.420 3.727 0 30 CHAC Sc1nnc(C=Cc2ccc(Cl)cc2Cl)o1 2265233857 PQTOEMDZBASDHQ-UHFFFAOYSA-N 273.144 3.836 0 30 CHAC CCOC(=O)c1ccc(-n2c(=S)[nH]c3ccccc32)cc1 105630 LKLKMJUQNDXMTH-UHFFFAOYSA-N 298.367 3.865 0 30 CHAC CCCN1CCCC[C@H]1CCCOC(=O)c1ccccc1 33875341 YMJJBRYNFQFAQP-KRWDZBQOSA-N 289.419 3.888 0 30 CHAC O=C1CS[C@@H](c2ccc(Cl)cc2)N1c1cccnc1 99432 WKALALVBUPERKP-AWEZNQCLSA-N 290.775 3.514 0 30 CHAC C[C@]12CC[C@@H]3[C@H](C=CC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 17003991 UMDCOKNNLDEKJB-SGYMCOKNSA-N 286.415 3.655 0 30 CHAC NCCc1c[nH]c2ccc(-c3c[nH]c4ccccc34)cc12 1842247 DUIHQKNLFWUZRA-UHFFFAOYSA-N 275.355 3.817 0 30 CHAC Cc1cc(Cl)nc(Nc2nc3ccccc3s2)n1 38219329 KXQXUFSRSZUXEJ-UHFFFAOYSA-N 276.752 3.792 0 30 CHAC CCOC(=O)c1c[nH]c(SCc2ccccc2Cl)n1 35606154 IAFSAVPRKLUNCU-UHFFFAOYSA-N 296.779 3.532 0 30 CHAC CCOC(=O)CCc1cccc(Oc2ccccc2)c1 34487881 QXGXEAXQTZMEEP-UHFFFAOYSA-N 270.328 3.975 0 30 CHAC Cn1c(Cl)c(C(=O)O)c2cc(Cl)c(Cl)cc21 71466258 IBFFSHNKGJMGJI-UHFFFAOYSA-N 278.522 3.837 0 30 CHAC COc1ccc2c(c1)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]21C 32264270 HWMORDFFCIGMFG-XYJFISCASA-N 274.404 3.696 0 30 CHAC Cc1ccc(Cl)cc1NC(=O)C=Cc1ccco1 2265239495 AJYOMAAESGKOPW-UHFFFAOYSA-N 261.708 3.893 0 30 CHAC Cc1ccc(NC(=O)C=Cc2ccc3c(c2)OCO3)c(F)c1 2265239522 UHZLZTLNGUIYJB-UHFFFAOYSA-N 299.301 3.515 0 30 CHAC CCCc1cc2c(cc1CCCCC(C)=O)OCO2 219839507 FCYPLAYWXDCMIC-UHFFFAOYSA-N 262.349 3.670 0 30 CHAC O=C(O)CSC(=S)Nc1ccc(Cl)c(Cl)c1 3635707 OHONEDDQDAQYRH-UHFFFAOYSA-N 296.200 3.508 0 30 CHAC Fc1ccc(-c2cn3c(n2)Cc2ccccc2C3)cc1 94227 KFWPVVIASLMTQI-UHFFFAOYSA-N 264.303 3.642 0 30 CHAC CCSc1ccc(-c2noc(-c3cccs3)n2)cn1 110277 QMRJTKXIEOHJFX-UHFFFAOYSA-N 289.385 3.972 0 30 CHAC Nc1cccc(Nc2nc(Cl)nc(Cl)c2Cl)c1 5161785 WWKJYYDDDTUYMI-UHFFFAOYSA-N 289.553 3.763 0 30 CHAC O=c1cc(-c2ccccc2Cl)[nH]c2ccccc12 21996431 MDRZAPYNHGUKDK-UHFFFAOYSA-N 255.704 3.849 0 30 CHAC O=C(Sc1cccs1)[C@@H]1C[C@H]2C=C[C@H]1CC2 100381943 OOQMTHYNAWINFS-GARJFASQSA-N 250.388 3.969 0 30 CHAC Nc1nc([C@H]2CCC[C@H](C(F)(F)F)C2)cs1 96378698 WGCRIVRYJBMPGZ-BQBZGAKWSA-N 250.289 3.561 0 30 CHAC CCCCCC(C(OCC)OCC)C(OCC)OCC 39221158 FYVVSNOKHFMGID-UHFFFAOYSA-N 290.444 3.981 0 30 CHAC O=C(NC=Cc1ccco1)OCc1ccccc1Cl 2265278875 MBHWBOHIFYKZGX-UHFFFAOYSA-N 277.707 3.830 0 30 CHAC Cc1ccc(CNC(=O)Nc2ccc(C(C)(C)C)cc2)n1C 157981 TYUBOBGYMVDCJT-UHFFFAOYSA-N 299.418 3.953 0 30 CHAC Cc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(C)CC3 2019913 KBEZZLAAKIIPFK-CGTJXYLNSA-N 255.405 3.683 0 30 CHAC biogenic CSc1nnc(C)c(C=CNc2ccc(Cl)cc2)n1 2265276491 MNOJIDQPSDODIX-UHFFFAOYSA-N 292.795 3.638 0 30 CHAC Cc1cc(OC(=O)c2cccc(F)c2)n(-c2ccccc2)n1 91165 GGWUULIDWRVSHC-UHFFFAOYSA-N 296.301 3.539 0 30 CHAC CC[C@@](C)(CC(=O)O)CC(=O)Nc1ccc(Cl)cc1 101081 UBHQHOZRPUWLAC-CQSZACIVSA-N 283.755 3.560 0 30 CHAC COC(=O)C1=C(Sc2ccc(Cl)cc2)CSC1 148907 HDILBXCUHKICAD-UHFFFAOYSA-N 286.805 3.606 0 30 CHAC Cc1oc2ccccc2c1C(=O)c1ccc(O)cc1 2576318 BCQDWIKXULTIHQ-UHFFFAOYSA-N 252.269 3.678 0 30 CHAC O=C(O)c1cccc2cccc([S@@](=O)c3ccccc3)c12 12367586 UTPSEYFLGGYQEQ-OAQYLSRUSA-N 296.347 3.705 0 30 CHAC CCOc1ccsc1C(=O)Nc1cc(F)ccc1F 36047532 RXAXSDBUILRLAG-UHFFFAOYSA-N 283.299 3.677 0 30 CHAC CCNc1nc(=S)[nH]c2sc3c(c12)CC[C@@H](C)C3 157364 BBYHEWATEWNQNI-SSDOTTSWSA-N 279.434 3.910 0 30 CHAC O=C(O)c1c[nH]cc1-c1c(Cl)cccc1Cl 37245238 NHZVIVQQLTUDED-UHFFFAOYSA-N 256.088 3.687 0 30 CHAC in-vitro Nc1cccc(Oc2cccc(OC(F)(F)F)c2)c1 90600616 FKRCEIZCVARCOD-UHFFFAOYSA-N 269.222 3.960 0 30 CHAC C=C[C@](C)(O)CCC[C@H](C)C(=O)c1cc(C)co1 14828460 DWEPRCMDTVMHSV-WFASDCNBSA-N 250.338 3.514 0 30 CHAC OCc1cccc(-c2ccccc2C(F)(F)F)c1 4204307 KNOZWVVKUYTQCA-UHFFFAOYSA-N 252.235 3.865 0 30 CHAC CN(C)c1ccc(-c2cncc(Br)c2)cc1 21982186 BJCQKVHEVGTOAL-UHFFFAOYSA-N 277.165 3.577 0 30 CHAC O[C@@H]1CCCC[C@H]1Sc1ccc(Br)cc1 37491037 OBDOVCIIWHGDPK-VXGBXAGGSA-N 287.222 3.845 0 30 CHAC Cc1nn(-c2ccccc2)c(C)c1C(=O)Oc1ccccc1 109986 YAYXFYZNQALIQW-UHFFFAOYSA-N 292.338 3.708 0 30 CHAC CC(C)(C)c1ccc(-c2nc(O)nn2-c2ccccc2)cc1 104250 MLJPUSSCLJDNCV-UHFFFAOYSA-N 293.370 3.937 0 30 CHAC Cc1ccc(Oc2ccc(O[C@@H](C)C(=O)O)cc2)cc1 33727207 LYSGPXNPXMXUJV-LBPRGKRZSA-N 272.300 3.639 0 30 CHAC FC(F)(F)c1ccc(N2CCC(n3cccc3)CC2)nc1 20443551 UXCBNMLLJWBEKM-UHFFFAOYSA-N 295.308 3.743 0 30 CHAC C[C@@H]1C[C@]2(C)[C@H](O)CC[C@@H]2[C@H]2CCc3cc(O)ccc3[C@H]12 252428432 DMSFWIJHZMGIJI-OAJHMHEISA-N 286.415 3.855 0 30 CHAC COc1ccc(N=Cc2c(Cl)nc3sccn23)cc1 254597915 PECJXRYAMJRJBM-UHFFFAOYSA-N 291.763 3.808 0 30 CHAC C[C@H]1CCCC[C@@]1(C)OC(=O)c1ccccc1C(=O)O 38609474 IBQUTAWFRDBINE-MEDUHNTESA-N 276.332 3.510 0 30 CHAC CCC1=C2c3[nH]c4ccccc4c3CCN2CCC1 137112038 MTEOGEBTRZOKPM-UHFFFAOYSA-N 252.361 3.941 0 30 CHAC C/C=C/c1ccc(OC(=O)c2ccccc2)c(OC)c1 5132929 UREJOPRZQKQYLG-XVNBXDOJSA-N 268.312 3.948 0 30 CHAC COC(=O)C1=CC[C@@H]([C@@H](C)CC(=O)CC(C)C)CC1 5440588 IIWNDLDEVPJIBT-QWHCGFSZSA-N 266.381 3.527 0 30 CHAC biogenic O=S(=O)(Cc1c(F)cccc1Cl)c1cccs1 96559 GIBLZMZNVLKBQH-UHFFFAOYSA-N 290.768 3.515 0 30 CHAC CC(C)CCCCCCCCCCC[C@H](O)[C@@H](N)CO 96030373 VFYHIOGWELBGIK-IRXDYDNUSA-N 287.488 3.614 0 30 CHAC CC(=O)N1N=C2c3ccccc3CC[C@@H]2[C@H]1c1cccs1 159450 VFMHBYYFZDIOHQ-YOEHRIQHSA-N 296.395 3.618 0 30 CHAC Cc1ccc2cc(-c3ccc(C(=O)O)o3)ccc2n1 90397603 LCQOSKUJVKYPBB-UHFFFAOYSA-N 253.257 3.501 0 30 CHAC CCC[C@H](C)[C@H](O)C(Cl)(Cl)[Si](C)(C)C 196503139 SSUALHCFYMRLAJ-IUCAKERBSA-N 257.277 3.835 0 30 CHAC CC(C)(C)OC(=O)NCc1cccc(-c2ccc(N)cc2)c1 40435059 KUBBOKQREDUIST-UHFFFAOYSA-N 298.386 3.961 0 30 CHAC C[C@]12CC[C@@H]3c4ccc(N)cc4CC[C@@H]3[C@@H]1CCC2=O 4347817 UNBVZLXCQDVEGX-CVYDXHPNSA-N 269.388 3.694 0 30 CHAC Cc1ccc(-c2nc3cc(C(=O)O)ccc3o2)cc1C 20222865 PYUABBLQKWGTOT-UHFFFAOYSA-N 267.284 3.810 0 30 CHAC Cc1cccc(Nc2cc(C(=O)O)c3ccccc3n2)c1 21715302 NOZVKVQTDSYORP-UHFFFAOYSA-N 278.311 3.985 0 30 CHAC CCOC(=O)c1cc(-c2c(Cl)cccc2Cl)no1 76381 NRKHLBRFBABJJT-UHFFFAOYSA-N 286.114 3.825 0 30 CHAC CNc1ccccc1C(=O)N[C@@H]1C[C@H](C)CC(C)(C)C1 4306907 ICJCYXSBCJCKBU-QWHCGFSZSA-N 274.408 3.673 0 30 CHAC O=C(O)[C@H](c1ccccc1)c1ccc(Br)cc1 5489548 YNCBITWCPFWJJG-CYBMUJFWSA-N 291.144 3.666 0 30 CHAC Cc1c(C)c(C)c(CSC2=NC[C@@H](C)N2)c(C)c1C 13464778 CCMARQZPNDFALT-SECBINFHSA-N 276.449 3.810 0 30 CHAC CC1(C)CC(=O)N(c2ccc(Cl)cc2Cl)C(=O)C1 2147666 RJZOUSKNFZNJRO-UHFFFAOYSA-N 286.158 3.673 0 30 CHAC O=C(NCc1ccc(-c2cccs2)cc1)C1CCC1 1034874 WIDWXCWITDXMGN-UHFFFAOYSA-N 271.385 3.831 0 30 CHAC CCOc1cccc2oc(-c3ccccc3)cc(=O)c12 2392261 ARLSAHPUWKBRBC-UHFFFAOYSA-N 266.296 3.859 0 30 CHAC Clc1ccc2c(c1)N[C@@H](c1ccc3c(c1)OCO3)O2 144426 PMDAXBPIDQDLPQ-CQSZACIVSA-N 275.691 3.572 0 30 CHAC Brc1csc(C2SCCS2)c1 124725 LJPLTFLPPYPBAF-UHFFFAOYSA-N 267.238 3.989 0 30 CHAC FC(F)CSc1cccc(Br)c1 39711895 XJWRLSBKEVGMCI-UHFFFAOYSA-N 253.111 3.806 0 30 CHAC O=C(O)c1ccccc1[S@@](=O)c1ccc2ccccc2c1 8648612 SKSPJIUSDQZVKQ-OAQYLSRUSA-N 296.347 3.705 0 30 CHAC c1ccc(CNCC2C3CC4CC(C3)CC2C4)cc1 34459166 UMQGDMASNCYFTJ-UHFFFAOYSA-N 255.405 3.849 0 30 CHAC Fc1ccccc1[C@H]1NCCNc2ccc(Cl)cc21 1536219786 BYKPZQKCYSBZMW-OAHLLOKOSA-N 276.742 3.584 0 30 CHAC CC(C)c1ccc(F)c(I)c1 694982023 CKANAZKFIOQIRV-UHFFFAOYSA-N 264.081 3.554 0 30 CHAC O=C(Nc1cccc2cccnc12)C(Cl)(Cl)Cl 150465 FLIMXHHCNLPSEG-UHFFFAOYSA-N 289.549 3.544 0 30 CHAC O=C1Nc2ccc(-c3ccc(C(F)(F)F)cc3)cc2C1=O 16946308 RKRAVBKCNMIBIK-UHFFFAOYSA-N 291.228 3.507 0 30 CHAC CNc1cccc(C(F)(F)F)c1Br 694956105 ZURLGNWVNHKRAE-UHFFFAOYSA-N 254.049 3.510 0 30 CHAC O=C(Nc1ccc2ccccc2n1)Nc1cccs1 153098 SGUFNTOSKYHJGI-UHFFFAOYSA-N 269.329 3.940 0 30 CHAC CC(=O)c1sc(COc2cccc(Cl)c2)nc1C 121118 JFURXBYYNCDKJE-UHFFFAOYSA-N 281.764 3.887 0 30 CHAC CCC[C@@]1(CCc2ccccc2)CC(O)=CC(=O)O1 100134268 BQCOYEHIANYPOM-MRXNPFEDSA-N 260.333 3.547 0 30 CHAC CN1C(=O)C[C@H](c2ccsc2)Sc2ccccc21 172414 XHZINFIDIOZDDM-CYBMUJFWSA-N 275.398 3.948 0 30 CHAC COC(=O)c1sc2c(C)cc(Cl)c(C)c2c1C(=O)O 103180 SIUOBKUZCVQQDI-UHFFFAOYSA-N 298.747 3.656 0 30 CHAC Clc1cc(Cl)nc(OCc2ccccc2)c1 91362231 DURRQBWMZUTJNA-UHFFFAOYSA-N 254.116 3.967 0 30 CHAC C=C[C@](C)(O)CCC[C@@H](C)C(=O)c1cc(C)co1 14828462 DWEPRCMDTVMHSV-DOMZBBRYSA-N 250.338 3.514 0 30 CHAC Fc1cc(Cl)c(I)cc1Cl 147849906 VHQHSWOWIPLDQR-UHFFFAOYSA-N 290.890 3.737 0 30 CHAC C=Cc1cc(Br)ccc1Br 90734993 KWVKCGGJLLNVSC-UHFFFAOYSA-N 261.944 3.855 0 30 CHAC COc1ccc2c(c1)CCC1=C2CC[C@]2(C)[C@@H](O)CC[C@@H]12 32271485 DSPYHYQINLYOKE-FHWLQOOXSA-N 284.399 3.966 0 30 CHAC C[C@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@H](N)CC[C@@]43C)[C@@H]1CC[C@@H]2O 2265351993 WMEBIWWUBWHAOJ-YSDAECDYSA-N 291.479 3.717 0 30 CHAC COC(=O)CCc1ccc(OCc2ccccc2)cc1C 82721970 OJIYKYYEVHELNA-UHFFFAOYSA-N 284.355 3.680 0 30 CHAC CC(C)(C)c1ccc(-n2nnnc2-c2ccccc2)cc1 99668 NAVYPPPPZLFSMR-UHFFFAOYSA-N 278.359 3.627 0 30 CHAC CC1CCN(C(=O)c2cc3ccccc3s2)CC1 166801 PUVXQZQLRFAIHG-UHFFFAOYSA-N 259.374 3.773 0 30 CHAC Cc1onc(-c2c(Cl)cccc2Cl)c1C1=NCCO1 74547 MBWXSORBKAJQPC-UHFFFAOYSA-N 297.141 3.734 0 30 CHAC Cc1n[nH]c(C)c1Cc1c(Cl)cccc1Cl 140811 SQHUNEHSYFUDPM-UHFFFAOYSA-N 255.148 3.924 0 30 CHAC Cc1oc(-c2ccccc2)cc1C(=O)NCc1ccncc1 156561 ADNSKXGEVDLGKY-UHFFFAOYSA-N 292.338 3.580 0 30 CHAC Brc1cc(Br)c2c(c1)NCCC2 230860032 PLOBWAQCGGQUAU-UHFFFAOYSA-N 290.986 3.570 0 30 CHAC Clc1cc(Br)cc([C@H]2CCCN2)c1 84623581 WSFHFWWZQCMDFL-SNVBAGLBSA-N 260.562 3.527 0 30 CHAC CCSc1ccc(-c2noc(C(C)(C)C)n2)cn1 110286 SSFSXNXKJZXRCA-UHFFFAOYSA-N 263.366 3.541 0 30 CHAC C[C@@H]1C[C@H](NC(=S)N[C@H]2C[C@H]3C=C[C@H]2C3)CC(C)(C)C1 252428139 QYTZDQJSDAFAGU-QTVXIADOSA-N 292.492 3.630 0 30 CHAC Nc1ccc(C2CCN(CCc3ccccc3)CC2)cc1 2509736 IFCBNARSMLNWNX-UHFFFAOYSA-N 280.415 3.691 0 30 CHAC O=C(Cn1ccnc1)c1ccc(CCc2ccccc2)cc1 5425456 FHCUFTBEPZKVMR-UHFFFAOYSA-N 290.366 3.551 0 30 CHAC C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4C[C@@H](O)C=C[C@@]43C)[C@H]1CCC2=O 96030428 DYMROBVXGSLPAY-HCAUDJFTSA-N 288.431 3.735 0 30 CHAC CCOc1cc(N(CC)CC)c(OCC)cc1[N+]#N 5139372 IBENXTCZZWIDOT-UHFFFAOYSA-N 264.349 3.815 0 30 CHAC C[C@@H](Cn1ccnc1)[C@H](O)c1ccc(-c2ccccc2)cc1 13209480 CLXBBIBLVPFFJA-KXBFYZLASA-N 292.382 3.920 0 30 CHAC Brc1cccc([C@@H]2OCCCCS2)c1 39325883 MEBDFRNYMQMADD-LLVKDONJSA-N 273.195 3.991 0 30 CHAC C(=Cc1c(-c2ccccc2)nc2sccn12)c1cc[nH]n1 2265279328 YLKIXQUPYKAWAB-UHFFFAOYSA-N 292.367 3.956 0 30 CHAC CC[C@H](O)C(C[C@@H](C)NC)(c1ccccc1)c1ccccc1 5921966 KYHAUJGXNUJCTC-APWZRJJASA-N 297.442 3.742 0 30 CHAC Cc1ccc2cc(-c3ccc(C(=O)O)cc3)ccc2n1 89064064 SHHICGOAKYAUQJ-UHFFFAOYSA-N 263.296 3.908 0 30 CHAC C[C@H](COc1ccccc1)N[C@H](C)Cc1ccccc1 1842981 URCIJDUOBBSMII-HZPDHXFCSA-N 269.388 3.675 0 30 CHAC in-man CCCc1ccc(NC(=S)NC(=O)c2ccccc2)cc1 100296 VAZHNXNTSMBEST-UHFFFAOYSA-N 298.411 3.766 0 30 CHAC Nc1nc([C@@H]2CCC[C@@H](C(F)(F)F)C2)cs1 96378699 WGCRIVRYJBMPGZ-RNFRBKRXSA-N 250.289 3.561 0 30 CHAC CCOC(=O)c1cnc2cc(Cl)c(F)cc2c1OCC 80782 BXQQSVJCMMSJSK-UHFFFAOYSA-N 297.713 3.603 0 30 CHAC in-vitro Clc1ccc(Cc2nnc(Br)s2)cc1 71051550 VCFJIQZDRWJWAX-UHFFFAOYSA-N 289.585 3.545 0 30 CHAC in-vitro CCOC(=O)[C@@H](C/C=C(\C)CCC=C(C)C)C(C)=O 33839840 BYPQAGFTLOOIJF-VOMSXAGXSA-N 266.381 3.838 0 30 CHAC Cc1onc(-c2cc(Cl)sc2Cl)c1C(=O)O 5764983 TXWLOFWEAIMFEW-UHFFFAOYSA-N 278.116 3.717 0 30 CHAC c1ccc(COc2ccc(CCC3OCCO3)cc2)cc1 4375886 STGUTQYRXWNJPC-UHFFFAOYSA-N 284.355 3.571 0 30 CHAC C[C@H](C(=O)O)c1ccc2oc(-c3ccc(F)cc3)nc2c1 319 ARPYQKTVRGFPIS-VIFPVBQESA-N 285.274 3.822 0 30 CHAC in-man CC(C)COc1cccc(NC(=O)OCC(F)(F)F)c1 87304337 PASGAXWSCOKSGH-UHFFFAOYSA-N 291.269 3.832 0 30 CHAC in-vitro Cc1ccc2[nH]c3c(c(=O)c2c1)CCN3c1ccccc1 6627969 RBHOGGBFJPVUJO-UHFFFAOYSA-N 276.339 3.531 0 30 CHAC COC(=O)c1cc(-c2nc(C)cs2)c(SC)s1 125711 GZELXVGONFPQCC-UHFFFAOYSA-N 285.415 3.689 0 30 CHAC Cc1cc(-c2nc(-c3ccc(C(C)(C)C)cc3)no2)no1 121966 IOMDBXJZVPAQDW-UHFFFAOYSA-N 283.331 3.998 0 30 CHAC c1ccc(Nc2ncnc3c2sc2ncccc23)cc1 171815 JGUQMQCFPAZEKI-UHFFFAOYSA-N 278.340 3.983 0 30 CHAC CCN(N=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1 504256371 JVGWNJLSTCQSCZ-VIFPVBQESA-N 260.259 3.640 0 30 CHAC biogenic,in-vitro CC(C)[C@H]1CC[C@@H](C)C[C@H]1[C@H](Br)C(=O)O 201175024 KDQKNIUYOVWSPY-DBIOUOCHSA-N 277.202 3.543 0 30 CHAC O=C(O)c1cc(Br)ccc1Nc1ccccc1 21999407 DUKWALMEUHYKDE-UHFFFAOYSA-N 292.132 3.891 0 30 CHAC CCCC[C@H](SS[C@@H](CCCC)C(=O)O)C(=O)O 2015564 MWPDZNLNSAHLMK-UWVGGRQHSA-N 294.438 3.655 0 30 CHAC CC(C)(C)OC(=O)n1ccc2c(F)c(F)ccc21 91353278 SJXYZDFTGXUACH-UHFFFAOYSA-N 253.248 3.703 0 30 CHAC O=C(c1ccc(F)cc1)[C@H]1C[C@@H]1C(=O)c1ccc(F)cc1 140784 CSPBPSIPTXLCNX-GJZGRUSLSA-N 286.277 3.667 0 30 CHAC O=C(O)CCc1c(-c2ccccc2)[nH]c2c(F)cccc12 616568931 FHXGEUZGLQRZJT-UHFFFAOYSA-N 283.302 3.991 0 30 CHAC COc1cc(C=NO)ccc1OCc1ccc(Cl)cc1 254837573 GOJBOTXFJSHHLA-UHFFFAOYSA-N 291.734 3.736 0 30 CHAC O=Cc1cccc(OCCCCOc2cccc(C=O)c2)c1 71603231 DPWLMAHEZCLAJY-UHFFFAOYSA-N 298.338 3.550 0 30 CHAC CCCCCC[C@@H](C)OC(=O)[C@@H](C)Br 96347218 JRLNZNCOQCBRDL-NXEZZACHSA-N 265.191 3.672 0 30 CHAC O[C@@]1(c2ccccc2)[C@H]2CCC[C@H]1[C@@H](N1CCCC1)CC2 604971345 QKKXOOSOMJVKND-VJANTYMQSA-N 285.431 3.549 0 30 CHAC Cc1cc2c(c3cc(F)c4ccccc4c13)C=C[C@H](O)[C@@H]2O 111430193 XSAGGPWJWXETMI-PKOBYXMFSA-N 294.325 3.862 0 30 CHAC CC(C)(O)CCCc1ccc(Br)cc1 57544794 RSFXAVWDGBWTSG-UHFFFAOYSA-N 257.171 3.543 0 30 CHAC OC1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 139180 UAHDNTGJXXHAGF-UHFFFAOYSA-N 270.172 3.706 0 30 CHAC Cc1cc(C)cc(NC(=O)Nc2cccc(C)n2)c1 153944 SUEDPGUHAYVMJX-UHFFFAOYSA-N 255.321 3.651 0 30 CHAC Cn1nc(-c2cc3ccccc3o2)c2c1NCCCC2 3697871 WXXCOTSZRCCNNM-UHFFFAOYSA-N 267.332 3.582 0 30 CHAC COC(=O)[C@]1(C)CCC[C@]2(C)c3cc(O)ccc3CC[C@H]21 72232997 HRZWXLUBKWXXNM-KBAYOESNSA-N 288.387 3.576 0 30 CHAC CC(=O)Cc1c(C)c(C)c(Br)c(C)c1C 2265381427 RHMMGPOQBLPIKI-UHFFFAOYSA-N 269.182 3.814 0 30 CHAC COC(=O)c1cc2c(s1)-c1cc(F)ccc1SC2 111247 OEZYHVYJTJVLEX-UHFFFAOYSA-N 280.345 3.947 0 30 CHAC Cc1sc(Br)c(Br)c1C 140107434 DXFXGRVYBZPQGG-UHFFFAOYSA-N 269.989 3.890 0 30 CHAC COc1ccc2c(c1Cl)C[C@]1(CCF)CCC(=O)C=C21 72233056 IYEKNFHQOLWOSA-MRXNPFEDSA-N 294.753 3.997 0 30 CHAC COc1ccc(C)cc1-c1nc2scc(C)n2c1C=O 31863338 XNVWHAQSJGYXDV-UHFFFAOYSA-N 286.356 3.501 0 30 CHAC C[C@H]([C@H](O)c1ccc(-c2ccccc2)cc1)n1ccnc1 13209504 PVWFUCRYWYDOJS-KDOFPFPSSA-N 278.355 3.845 0 30 CHAC Cn1nc(C(C)(C)C)cc1C(=O)Sc1ccccc1 127845 NJNYTPYFXXCVOB-UHFFFAOYSA-N 274.389 3.650 0 30 CHAC Fc1cccc(NC(=S)Nc2ccc(Cl)cn2)c1 12368528 LRXJILYSGVCHFS-UHFFFAOYSA-N 281.743 3.683 0 30 CHAC Clc1nc(OCc2ccccc2)c2ccccc2n1 52811303 JNPWRHNQAQQAIR-UHFFFAOYSA-N 270.719 3.862 0 30 CHAC COc1ccc2c(c1)CC[C@H]1C(C)(C)[C@H](O)CC[C@]21C 32264272 HWMORDFFCIGMFG-LZLYRXPVSA-N 274.404 3.696 0 30 CHAC O[C@]12CCCC[C@@H]1CCC[C@H]2Nc1ccc(F)cc1 112925354 HVDSOPBAZRASKA-DAXOMENPSA-N 263.356 3.711 0 30 CHAC CC(C)(C)OC(=O)Nc1c(CO)ccc2ccccc12 725262399 CYFCQZMIUQQWBM-UHFFFAOYSA-N 273.332 3.679 0 30 CHAC Cc1cccc2c3c(ccc12)[C@@]1(C[C@H](C)CO1)OC3=O 13431697 DNLNYCCHXAULQA-DYZYQPBXSA-N 268.312 3.528 0 30 CHAC biogenic,in-vitro Cc1cc(C)c2cc(/C=C/[N+](=O)[O-])c(Cl)nc2c1 32099815 UAFSFJZMBBMDAZ-ONEGZZNKSA-N 262.696 3.752 0 30 CHAC CC(C)NC(=O)N(Cc1ccccc1)Cc1cccs1 77052 OSRDAUXHEFGIJA-UHFFFAOYSA-N 288.416 3.868 0 30 CHAC O=S(=O)(/C=C/c1ccccc1)c1ccc(F)c(Cl)c1 131733 PORFEFUFFPYAOS-CMDGGOBGSA-N 296.750 3.924 0 30 CHAC O=C(Nc1ccncc1)Nc1csc2ccccc12 159377 SEYZAAUEXCOEIL-UHFFFAOYSA-N 269.329 3.940 0 30 CHAC CN1C(=O)SC(=Cc2cccc3ccccc23)C1=O 2265279497 XMECQSFJGDKXMO-UHFFFAOYSA-N 269.325 3.506 0 30 CHAC CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1NC(=O)C1CCCCC1 162249 PUPLCQGDWYFLPV-JLJPHGGASA-N 263.425 3.898 0 30 CHAC FB(F)n1cccc1/C(=C1/C=CC=N1)c1ccccc1 2265306981 YGXPORHCVAEDOI-SQFISAMPSA-N 268.075 3.660 0 30 CHAC c1ccc(OCCCCNCc2cccs2)cc1 604933959 OVUKRTQEQKKEDF-UHFFFAOYSA-N 261.390 3.697 0 30 CHAC Cc1ccc(NC(=S)Nc2ccccc2N)c(C)c1 71549 NWEJLFXOYQETCX-UHFFFAOYSA-N 271.389 3.695 0 30 CHAC C[C@]12CC[C@@H]3[C@H](CC[C@]45CC(=O)CC[C@@]34C5)[C@H]1CCC2=O 253530400 ZXOGTZPVVUQMNN-YLAZQNLRSA-N 286.415 3.921 0 30 CHAC O=[S@@](c1ccc(SC(F)(F)F)cc1)C(F)(F)F 203023085 OAAPCOWISYGSIR-KRWDZBQOSA-N 294.241 3.926 0 30 CHAC C[C@H]1CCc2cc(CN(C)C(=O)OC(C)(C)C)ccc2N1 2265385150 HTFCPDJKRWVQQU-LBPRGKRZSA-N 290.407 3.800 0 30 CHAC CC(C)CCSc1ccc([C@@H](O)Cn2ccnc2)cc1 5114407 WWVRWOZCPAHXBK-INIZCTEOSA-N 290.432 3.755 0 30 CHAC O=C(O)C1(Cc2ccc(Cl)cc2)CCCCC1 41322738 BMQDQNQVJNKUFF-UHFFFAOYSA-N 252.741 3.918 0 30 CHAC CC(C)CCCCCCOC(=O)CCCCCN 135883289 YTBVJJCLLLCHCU-UHFFFAOYSA-N 257.418 3.655 0 30 CHAC C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1C[C@@H](O)C2=O 3778189 BHZXMBDTBMXJAX-ZLOBMTTQSA-N 290.447 3.959 0 30 CHAC CC(C)(C)C(=O)CC(=O)Nc1ccc(Cl)cc1Cl 5350997 NUIAEWCYEUQGBK-UHFFFAOYSA-N 288.174 3.937 0 30 CHAC C[C@H](O)c1cc(-c2ccc(Cl)cc2Cl)no1 123926 YHWJHQCSLOHOMN-LURJTMIESA-N 258.104 3.702 0 30 CHAC CCc1ccnc(NC(=O)Nc2ccccc2C)c1 151187 WTNPUJSIGRAJSV-UHFFFAOYSA-N 255.321 3.596 0 30 CHAC c1cc(NCc2ccc(CNc3ccncc3)cc2)ccn1 145176061 QDBWTYPKKWMVIK-UHFFFAOYSA-N 290.370 3.701 0 30 CHAC C[Si]1(C)[Si](C)(C)[Si](C)(C)[Si](C)(C)[Si]1(C)C 195754887 VGLVSMNWXDHPHX-UHFFFAOYSA-N 290.780 3.934 0 30 CHAC c1ccc(-c2cc3ncccc3n2C2CCNCC2)cc1 607717043 JFMIBBYIQMHUOM-UHFFFAOYSA-N 277.371 3.628 0 30 CHAC Cc1ccc(C(=O)Nc2ccc3ccccc3n2)cc1 152097 VYNYSOAMIBPMDG-UHFFFAOYSA-N 262.312 3.796 0 30 CHAC CCc1ccc2[nH]c(C(=O)NCc3ccccc3)cc2c1 171564 JJVASSNWNCLVSI-UHFFFAOYSA-N 278.355 3.660 0 30 CHAC CN(C)c1ccc(N(N=O)c2ccc(N(C)C)cc2)cc1 4707298 FARCMEHOSGOTJZ-UHFFFAOYSA-N 284.363 3.638 0 30 CHAC C[C@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1 6020898 MCHVBEGSRJAJJJ-AWEZNQCLSA-N 270.372 3.772 0 30 CHAC COc1ccc2c(oc3ccccc32)c1CN(C)C 5689190 NXYJWKVEXIRWMP-UHFFFAOYSA-N 255.317 3.656 0 30 CHAC CSc1ccc(C(=O)Cc2cccc(F)c2)cc1 36457595 JLKKDKSESPEKBB-UHFFFAOYSA-N 260.333 3.973 0 30 CHAC C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC=C[C@@H](O)[C@@]43C)[C@@H]1CC[C@@H]2O 136314798 RUUMDVOLWARSAZ-YISWTCPOSA-N 290.447 3.527 0 30 CHAC COC(=N)c1ccc(SCc2ccccc2)cc1 607716639 CEVREEGGUWBWTA-UHFFFAOYSA-N 257.358 3.951 0 30 CHAC CCCCOC(=O)c1ccc(C(=O)c2ccccc2)cc1 5821418 JCRFJXHYVBFWRE-UHFFFAOYSA-N 282.339 3.875 0 30 CHAC CC(C)[C@H](c1ccccc1)[C@@H](O)CCN1CCCCC1 33903720 KJCWLPLAURMCOC-ZWKOTPCHSA-N 275.436 3.663 0 30 CHAC in-man CNCC[C@H](Oc1ccc(C)cc1)c1ccccc1 34053777 HBZGYXADKHAYTM-KRWDZBQOSA-N 255.361 3.725 0 30 CHAC in-vitro C[C@H]1CCCCN1CCCOC(=O)CC1CCCCC1 1998331 TUUUNXKJLMHVRJ-HNNXBMFYSA-N 281.440 3.765 0 30 CHAC CCOC(=O)CCCCCOc1ccc(Cl)cc1 71292233 VFCVLDTUBBHKKY-UHFFFAOYSA-N 270.756 3.842 0 30 CHAC in-vitro O=C(O)[C@@H](CC1CCCCC1)c1ccc(F)cc1 393867995 JZJXBJLIDPBGRK-AWEZNQCLSA-N 250.313 3.964 0 30 CHAC Cc1ccsc1-c1cncc(Br)c1 13607077 APGMFUDNZZFAPS-UHFFFAOYSA-N 254.152 3.881 0 30 CHAC CC(C)(C)c1ccc(C(=O)N2CCCCC2)s1 112030 WPKKIUWOWJNXST-UHFFFAOYSA-N 251.395 3.672 0 30 CHAC Nc1nc(C2CCC(C(F)(F)F)CC2)cs1 96378751 JMGGKSKMEIHRJU-UHFFFAOYSA-N 250.289 3.561 0 30 CHAC Cc1nc(Cl)c2c(Br)c(C)sc2n1 238519910 DYEKKPYACYDQEP-UHFFFAOYSA-N 277.574 3.724 0 30 CHAC Cc1ccc(N2CCC[C@@]2(CO)c2ccc(C)cc2)cc1 2265362155 SVADSNJZDFJFOB-LJQANCHMSA-N 281.399 3.791 0 30 CHAC CO[C@H](Cc1ccccc1)OC/C=C/c1ccccc1 5998264 DIBGDYHBYFMHED-RORWEDLISA-N 268.356 3.932 0 30 CHAC O=C(O)c1ccc2cccnc2c1OCc1ccccc1 95093270 DOCXOUXQNVHBIZ-UHFFFAOYSA-N 279.295 3.512 0 30 CHAC O=C(Nc1ccc(Cl)cc1)c1ccc2snnc2c1 171335 CNQARZPZTPBGMS-UHFFFAOYSA-N 289.747 3.597 0 30 CHAC CCOc1ccccc1-c1nc2scc(C)n2c1C=O 33419590 MVQIMWFZPWVPKX-UHFFFAOYSA-N 286.356 3.582 0 30 CHAC FC(F)(F)c1ccccc1CCC1CCNCC1 36906571 FRMMLNDCISIUIY-UHFFFAOYSA-N 257.299 3.638 0 30 CHAC in-vitro CC(C)(C)C(=O)N(Cc1cccnc1)Cc1cccs1 77030 DZRPPSFKQKYZTM-UHFFFAOYSA-N 288.416 3.718 0 30 CHAC CCCC(=O)C1=C(O)C[C@H](C[C@@H](C)SCC)CC1=O 90476155 XMJMYDRELXEWGM-MNOVXSKESA-N 284.421 3.679 0 30 CHAC Cc1cc2c(NC(=O)Nc3ccccc3)cccc2nn1 156475 BCOWKWPZIYVPAF-UHFFFAOYSA-N 278.315 3.582 0 30 CHAC CCCc1cc(=O)c2cc(Cl)c(Cl)cc2[nH]1 32099925 IKDAAYICDNTSCT-UHFFFAOYSA-N 256.132 3.787 0 30 CHAC CCOC(=O)c1c(C)cc(C)c(Br)c1C 83229161 AYPOOQCOBIMZCI-UHFFFAOYSA-N 271.154 3.551 0 30 CHAC COc1cccc(C(=O)c2cccc(C)c2)c1Cl 223499034 QBYOIYWPSLWHBF-UHFFFAOYSA-N 260.720 3.888 0 30 CHAC COc1ccc2c(c1)CC=C1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 34628478 QSNKKEPMKDBTSW-BVBHFADKSA-N 284.399 3.832 0 30 CHAC O=c1[nH]nc(-c2cc(Cl)ccc2Cl)c2ccccc12 37378754 JTOFTPKAYJIIEP-UHFFFAOYSA-N 291.137 3.897 0 30 CHAC COc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 173766 ROVZGOYWJXPHJN-UHFFFAOYSA-N 269.222 3.901 0 30 CHAC C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](N)CC[C@@]43C)[C@H]1CC[C@@H]2O 2265351347 FCUGCTSXLBPRJB-JUKXBMAYSA-N 289.463 3.637 0 30 CHAC CCN(C(=S)Nc1ccc(OC)cc1)c1ccccc1 128664 GIGCTMMGDICXAQ-UHFFFAOYSA-N 286.400 3.919 0 30 CHAC C[C@@H]1CCC(Br)=CN1C(=O)OC(C)(C)C 1535640426 HUJSMJOZVWJKBZ-MRVPVSSYSA-N 276.174 3.642 0 30 CHAC CC(C)(C)OC(=O)Nc1ccc2c(CO)cccc2c1 90728127 SVCBWTLHNBMQEI-UHFFFAOYSA-N 273.332 3.679 0 30 CHAC O=C(c1ccc(F)cc1)[C@H]1C[C@H]1C(=O)c1ccc(F)cc1 13464681 CSPBPSIPTXLCNX-GASCZTMLSA-N 286.277 3.667 0 30 CHAC CC(C)(C)c1cc2ncnc(N3CCCCC3)c2s1 117054 DSNNQOCJABHCJV-UHFFFAOYSA-N 275.421 3.979 0 30 CHAC C[C@@H]1C[C@@H](NC(=S)N[C@H]2C[C@H]3C=C[C@H]2C3)CC(C)(C)C1 102934165 QYTZDQJSDAFAGU-FQKPHLNHSA-N 292.492 3.630 0 30 CHAC COc1cc(C(=O)O)c(Cl)c(-c2ccccc2)c1 85471931 RVTIVAYGYDONLV-UHFFFAOYSA-N 262.692 3.714 0 30 CHAC Cc1ccc(S[C@H]2CS(=O)(=O)c3ccccc32)cc1 169911 XWUOYESNRMXHAH-AWEZNQCLSA-N 290.409 3.616 0 30 CHAC C[C@]12CC[C@@H]3[C@@H](CC[C@@]4(O)CC=CC[C@]34C)[C@H]1CC[C@@H]2O 2265351434 KDSYIIWCLNQJNC-UVSUZTNJSA-N 290.447 3.671 0 30 CHAC Clc1cc(Br)c(Cl)c(Cl)n1 238564288 NZBBLKWYQHWISC-UHFFFAOYSA-N 261.333 3.804 0 30 CHAC O=C1CCc2c(C(F)(F)F)ccc(Br)c21 238569596 YCSXDVVIPPTHBN-UHFFFAOYSA-N 279.055 3.597 0 30 CHAC CCSc1nc2ccccc2nc1SCC 171732 JKOMENWDWJFFNE-UHFFFAOYSA-N 250.392 3.854 0 30 CHAC COC(=O)c1cc2c(Br)c(F)ccc2s1 396295349 SRTLEFQEBOEZAM-UHFFFAOYSA-N 289.125 3.590 0 30 CHAC O=C(O)C[C@@H]1C[C@H](c2ccccc2)c2ccccc21 33866322 SPMZTVMUKNTXEW-XJKSGUPXSA-N 252.313 3.781 0 30 CHAC c1ccc(-c2nnc3n2-c2ccccc2SC3)cc1 160233 WQARVURHVSYYCZ-UHFFFAOYSA-N 265.341 3.540 0 30 CHAC O=c1[nH]c2cc(Cl)ccc2cc1-c1ccccc1 27850416 CAPOPJHZFVWDLK-UHFFFAOYSA-N 255.704 3.849 0 30 CHAC CC/C=C\CC[C@H](CC(OCC)OCC)OCC 38647066 VUIMLAIIKSNXBC-CFYYFVFUSA-N 258.402 3.927 0 30 CHAC O=C(Sc1cccs1)[C@H]1C[C@H]2C=C[C@H]1CC2 100381944 OOQMTHYNAWINFS-DCAQKATOSA-N 250.388 3.969 0 30 CHAC Cc1ccc(C=CS(=O)(=O)Nc2ccc(C)cc2)cc1 2265239488 PEDMIZBKOBWUAP-UHFFFAOYSA-N 287.384 3.716 0 30 CHAC CCN(CC)C(=O)c1ccc(-c2cccs2)s1 108475 IJEMYRHNCXHVIJ-UHFFFAOYSA-N 265.403 3.959 0 30 CHAC Cn1ncc2c(Sc3cccc4ccccc34)ncnc21 116893 BQAXOHYISCKGNJ-UHFFFAOYSA-N 292.367 3.668 0 30 CHAC C[C@H]1CCCC[C@]1(C)OC(=O)c1ccccc1C(=O)O 38609478 IBQUTAWFRDBINE-ZBEGNZNMSA-N 276.332 3.510 0 30 CHAC COc1ccccc1C1CCN(C(=O)c2ccccc2)CC1 135254 SXBIOBQXDNGBPV-UHFFFAOYSA-N 295.382 3.715 0 30 CHAC C[Si](C)(C)C(F)(F)n1ccnc1-c1ccccc1 195872314 HZGODXYTPTURKN-UHFFFAOYSA-N 266.367 3.977 0 30 CHAC Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F 36722610 WMOKEFOPBRRXKH-UHFFFAOYSA-N 275.217 3.942 0 30 CHAC in-vitro ClC1(Cl)C[C@@H]1c1csc(Br)n1 2265385080 WXSMMXKMBCWKOD-GSVOUGTGSA-N 272.982 3.567 0 30 CHAC FC(F)(F)c1cccc(NC(=S)Nc2ccccn2)c1 167318 CBTCDZHGUFMBHU-UHFFFAOYSA-N 297.305 3.909 0 30 CHAC Cc1nc2ccc(NC(=O)Nc3ccccc3)cc2o1 172213 JTEGZLWUTKJLSC-UHFFFAOYSA-N 267.288 3.780 0 30 CHAC CSc1cccc(NC(=S)Nc2ccccn2)c1 167324 DWVJUXMVWOLBBR-UHFFFAOYSA-N 275.402 3.612 0 30 CHAC COc1cc2ncnc(Nc3cccc(C)c3)c2cc1OC 5857 RSVNNWQHWIOIOC-UHFFFAOYSA-N 295.342 3.699 0 30 CHAC in-vivo COc1ccc(Cl)c(Cl)c1Br 575679283 RUZYJXSXKCEJMZ-UHFFFAOYSA-N 255.926 3.765 0 30 CHAC COc1ccc2[nH]cc([C@H](C[N+](=O)[O-])c3ccccc3)c2c1 35856685 RDHOPMDDIHENBS-MRXNPFEDSA-N 296.326 3.585 0 30 CHAC COc1cc(Br)cc(F)c1C(F)(F)F 575688465 REJHCTBACJLZCG-UHFFFAOYSA-N 273.023 3.616 0 30 CHAC Cc1ccnc(Oc2ccc(C(=O)O)c(Cl)c2)c1 2265383578 BYKCRRXLUUXTQO-UHFFFAOYSA-N 263.680 3.534 0 30 CHAC Cc1cc(C(F)(F)F)nc2c(Cl)c(C3CC3)nn12 169274 ROXUDLKEHKEDGC-UHFFFAOYSA-N 275.661 3.587 0 30 CHAC CC(C)(C)c1ccc(-c2noc(-c3ccno3)n2)cc1 78517 POMVBNWHEFNIIB-UHFFFAOYSA-N 269.304 3.689 0 30 CHAC CCC(C)(C)c1ccc(Cl)c(OC(=O)NC)c1 2018601 BBRASQCNDLKYHM-UHFFFAOYSA-N 255.745 3.746 0 30 CHAC CC(=O)N1N=C2c3ccccc3CC[C@H]2[C@@H]1c1cccs1 4335035 VFMHBYYFZDIOHQ-RHSMWYFYSA-N 296.395 3.618 0 30 CHAC O=C(Cc1cccs1)NCc1ccc(C(F)(F)F)cc1 131882 SOHHKVVORRFILI-UHFFFAOYSA-N 299.317 3.626 0 30 CHAC Cc1ccc(Oc2c(C)nc(-c3ccccc3)[nH]c2=O)cc1 13469630 KGCKRTMFQYJNRG-UHFFFAOYSA-N 292.338 3.846 0 30 CHAC Cc1cc([C@@H](N)CCOc2ccccc2)ccc1F 53829639 JLMFCHAKDZUAHG-INIZCTEOSA-N 259.324 3.603 0 30 CHAC Fc1ccc([C@@H]2CN3C(=N2)C=Cc2ccccc23)cc1 100254704 UCKFKYDCJGFWOZ-HNNXBMFYSA-N 264.303 3.812 0 30 CHAC FC(F)(F)c1c(Br)cnn1C1CCCC1 40927795 IJFLEXNIUIVFGD-UHFFFAOYSA-N 283.091 3.780 0 30 CHAC Brc1nc(C2CCC2)c(Br)s1 72192943 XBMDWXJCLMQFKT-UHFFFAOYSA-N 297.015 3.936 0 30 CHAC C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)CC=CC[C@]34C)[C@H]1CC[C@@H]2O 2265351431 KDSYIIWCLNQJNC-NPAXRPIGSA-N 290.447 3.671 0 30 CHAC COC(=O)[C@@H](C)[C@@H]1CCc2c([nH]c3ccc(Cl)cc23)C1 514277784 JKYDVVPZEAJPIC-VHSXEESVSA-N 291.778 3.735 0 30 CHAC Cc1nc(CN[C@@H](C)c2ccc(Cl)cc2)oc1C 49525530 JUYVDPQBRHYWRL-JTQLQIEISA-N 264.756 3.796 0 30 CHAC COc1ccc2[nH]c3c(c2c1)[C@H](C)CC(C=O)=C3C 33606208 NMQSCTOGZSRWRM-SECBINFHSA-N 255.317 3.656 0 30 CHAC FC(F)(F)c1cncc(Cl)c1Br 95763745 DXFJNMMCCARDPJ-UHFFFAOYSA-N 260.440 3.516 0 30 CHAC C[C@@H]1C[C@@H](CC(=O)[C@H]2CCCC2=O)CC(C)(C)C1 256083208 JIJOZOBTAJWEID-AGIUHOORSA-N 250.382 3.777 0 30 CHAC CCOc1ccc2[nH]c(=O)c(-c3ccccc3)cc2c1 32099756 KEZOGPCXCWHRJU-UHFFFAOYSA-N 265.312 3.594 0 30 CHAC Nc1c(Br)cc(Cl)c(Cl)c1Cl 238672756 OZRYLHJPEDRJQK-UHFFFAOYSA-N 275.360 3.992 0 30 CHAC CC(C)(C)[Si](C)(C)n1ccc2cc(C(=O)O)cnc21 198020141 SYTLWLNLRQFPOM-UHFFFAOYSA-N 276.412 3.588 0 30 CHAC O=C(CC(=O)C(F)(F)F)c1cc(Cl)cc(Cl)c1 2216072187 SDGXGUOREKDIAR-UHFFFAOYSA-N 285.048 3.698 0 30 CHAC COC1=CC2=CN(Cc3ccccc3)CCC[C@@H]2C=C1OC 299754815 VGCSIRGVGXBYNZ-MRXNPFEDSA-N 297.398 3.857 0 30 CHAC O=c1cc(-c2ccccc2)[nH]c2cc(Cl)ccc12 5647149 XQOKFGZSHRSHMK-UHFFFAOYSA-N 255.704 3.849 0 30 CHAC CC(=O)NCc1c(-c2c(Cl)cccc2Cl)noc1C 139841 UKBJUKGXFPHTCW-UHFFFAOYSA-N 299.157 3.593 0 30 CHAC O=C(Nc1ccccc1)Nc1ccc2ccccc2n1 152694 AQKFDYCJMPYKGG-UHFFFAOYSA-N 263.300 3.879 0 30 CHAC c1ccc(C(O[C@@H]2CN3CCC2CC3)c2ccccc2)cc1 146725805 TYHULHQMILADSO-LJQANCHMSA-N 293.410 3.887 0 30 CHAC CC(C)(OC1CCC(c2ccccc2)CC1)C(=O)O 33878255 SLXUGVRIPZZCIU-UHFFFAOYSA-N 262.349 3.593 0 30 CHAC NCCc1sc(-c2ccccc2)nc1-c1ccccc1 20184398 ZHMMPMIOPVCXQO-UHFFFAOYSA-N 280.396 3.978 0 30 CHAC Fc1ccc(-c2cc3nc(Cl)cc(Cl)n3n2)cc1 79032654 VXNQMONUHVKYGZ-UHFFFAOYSA-N 282.105 3.842 0 30 CHAC CCCC[C@H](C)Nc1cc(NC(C)=O)ccc1OC 4774038 KDVBCMHDPJCRBL-NSHDSACASA-N 264.369 3.644 0 30 CHAC CC(C)C[C@H](C)OP(=O)(O)O[C@@H](C)CC(C)C 44712498 YGTBMOOSDOYPEI-RYUDHWBXSA-N 266.318 3.989 0 30 CHAC CC(C)N1CCC(Nc2ccc(Cl)cc2)CC1 19921036 JLLCBWRGOGXRBX-UHFFFAOYSA-N 252.789 3.625 0 30 CHAC Cc1[nH]c2ccc(OCc3ccccc3)cc2c1C=O 221456717 HURDKJOFWGGETO-UHFFFAOYSA-N 265.312 3.868 0 30 CHAC CCCCSc1nnc(SC(=O)OCC)s1 1841387 BNLQCEFCOJBPRR-UHFFFAOYSA-N 278.424 3.679 0 30 CHAC CC(C)CCSc1ccc(C(=O)Cn2ccnc2)cc1 5424059 VNUKVDIMHZFZRB-UHFFFAOYSA-N 288.416 3.904 0 30 CHAC Cc1c(Br)cnc(Br)c1Cl 95829896 QTGZZZRTMBRPFJ-UHFFFAOYSA-N 285.366 3.568 0 30 CHAC C[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C 147422059 XRRYOHBVVKHARG-LLVKDONJSA-N 274.364 3.624 0 30 CHAC CC(C)(C)c1csc(-c2ccc3nonc3c2)n1 169249 FTSXESKEVGXXHL-UHFFFAOYSA-N 259.334 3.644 0 30 CHAC Nc1c(Br)cnc2ccc(C(F)(F)F)cc12 41702271 KXDIMXGFXGMDLR-UHFFFAOYSA-N 291.070 3.598 0 30 CHAC C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(C(C)(C)C)cc3)C(=O)[C@@H]2C1 100394371 BEAVIIGYZJAHFG-UHOFOFEASA-N 299.414 3.910 0 30 CHAC CCCCc1ccsc1I 39172573 QOQSKBTYALXFPI-UHFFFAOYSA-N 266.147 3.695 0 30 CHAC O=C(O)c1cccc2cccc([S@](=O)c3ccccc3)c12 173139 UTPSEYFLGGYQEQ-NRFANRHFSA-N 296.347 3.705 0 30 CHAC CC(C)c1nc2[nH]ccc2c(-c2ccc(F)cc2)c1CO 34424193 XQKVAJSGXXVRRU-UHFFFAOYSA-N 284.334 3.985 0 30 CHAC CC(=O)Nc1ccc(Oc2nc3ccccc3o2)cc1 48234928 JJIJAKHLDNKCGJ-UHFFFAOYSA-N 268.272 3.579 0 30 CHAC in-vitro CCOC(=O)C(CC[C@H]1CC[C@H](C)C1(C)C)C(=O)OCC 33608703 UVELSJAJXCLTED-QWHCGFSZSA-N 298.423 3.581 0 30 CHAC Cc1nc(NC(=O)OC(C)(C)C)sc1C(F)F 2265356042 VRMKFQCPKHQBOZ-UHFFFAOYSA-N 264.297 3.736 0 30 CHAC Cc1onc(-c2ccccc2)c1[C@H](O)c1ccc(F)cc1 140732 SOLXIBWMKWDVLK-QGZVFWFLSA-N 283.302 3.871 0 30 CHAC C[C@@H]([C@@H](O)c1ccccc1)N(C)C/C=C/c1ccccc1 151 YMJMZFPZRVMNCH-KVOXRTSWSA-N 281.399 3.754 0 30 CHAC in-man CC[C@H](C)C(=O)c1cc(F)c(Br)cc1F 70022459 OBHIJZXZVWRIBL-LURJTMIESA-N 277.108 3.956 0 30 CHAC c1ccc(CSC2=NN[C@@H](c3ccccn3)S2)cc1 127327 IQZPEFTWPLGMGB-CYBMUJFWSA-N 287.413 3.621 0 30 CHAC Cc1cc(C(=O)Sc2ccccc2)nn1C(C)(C)C 127705 YUZNMHPOOCUCKZ-UHFFFAOYSA-N 274.389 3.879 0 30 CHAC CCCCN1CC[C@](CCC)(c2cccc(O)c2)C1 3603613 NENMHKKGVFEUMW-KRWDZBQOSA-N 261.409 3.936 0 30 CHAC CCCC1(CCC)CCC(CC(=O)O)(C(=O)O)CC1 22012123 RFTOLBKVUBYHIF-UHFFFAOYSA-N 270.369 3.693 0 30 CHAC CC[C@H](NCc1ccccc1)[C@@H](c1ccccc1)N(C)C 33639202 SVLHBGQWBVOVKE-RBUKOAKNSA-N 282.431 3.858 0 30 CHAC CN[C@H]1[C@@H]2C=CC[C@@H]1c1cc(Cl)c(Cl)cc1C2 200279118 HBVBHCYWPAAMTM-PWZJLYFZSA-N 268.187 3.797 0 30 CHAC Cc1cccc(Cl)c1NC(=S)NC1CCCC1 98560 WGOXYKHXUHLLFE-UHFFFAOYSA-N 268.813 3.877 0 30 CHAC CCNCCN1c2ccccc2Sc2ccccc21 48784739 XSGRSCGGDBZPNX-UHFFFAOYSA-N 270.401 3.899 0 30 CHAC O=C(NCc1ccccc1)c1cc2sccc2s1 108363 UOUXYTDNAVQXNV-UHFFFAOYSA-N 273.382 3.893 0 30 CHAC OCc1ccc(-c2sccc2Br)cc1 12370822 AQBJKGXCOBEPMC-UHFFFAOYSA-N 269.163 3.670 0 30 CHAC Cc1ccc(C(=O)Cn2ccnc2C(C)C)cc1C 37340456 UXWZVEIHVKMEGM-UHFFFAOYSA-N 256.349 3.506 0 30 CHAC in-vitro FC(F)(F)c1nnc(Nc2ccc(Cl)cc2)s1 73546 JPHOMPNOKNRQQR-UHFFFAOYSA-N 279.674 3.954 0 30 CHAC CC[C@@]1(Cc2cccc(C(F)(F)F)c2)CCCN1 91445320 IBWJRYLFGMWDEW-ZDUSSCGKSA-N 257.299 3.780 0 30 CHAC FC(F)(F)[C@@H]1CCc2cc(Br)ccc2N1 238556562 GHYIKNDMJIMNJZ-VIFPVBQESA-N 280.087 3.738 0 30 CHAC in-vitro Cc1cc(Cc2cc(C)c(O)cc2C)c(C)cc1O 2525147 YDSGCMVPVMGPGG-UHFFFAOYSA-N 256.345 3.922 0 30 CHAC CC(=O)O[C@]1(CC(C)C)C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 256082996 FPPRJKWGULBYSC-DGADGQDISA-N 250.382 3.791 0 30 CHAC O=C1Nc2ccccc2/C1=C/c1c[nH]nc1-c1ccccc1 13465359 RINGOEHWKXCHGN-GDNBJRDFSA-N 287.322 3.569 0 30 CHAC C[C@]12CC[C@H]3[C@H]4CC[C@H](O)CC4=CC[C@H]3[C@H]1CC[C@@]2(C)O 96030206 NLOZVXGMIXPBOU-LXGSHKTASA-N 290.447 3.671 0 30 CHAC O=C1Nc2cccc(Cl)c2C1=Cc1ccc(O)cc1 35386410 YGQMTJCPNCBMOM-UHFFFAOYSA-N 271.703 3.538 0 30 CHAC O[C@H]1CCCC[C@H]1Sc1ccc(Br)cc1 37491035 OBDOVCIIWHGDPK-NWDGAFQWSA-N 287.222 3.845 0 30 CHAC CN(C)/C=C/C(=N)SCc1c(F)cccc1Cl 4323396 GFSPGZXFKXAKKI-AXUHJDFSSA-N 272.776 3.765 0 30 CHAC CCOC(=O)c1c(CCC2CCCC2)nc2sccn12 21985691 RMDYCRWHPRJERO-UHFFFAOYSA-N 292.404 3.695 0 30 CHAC CCCCN(C(=O)C(C)(C)Br)c1ccccc1 228347165 KQZACEMJMVGGPO-UHFFFAOYSA-N 298.224 3.993 0 30 CHAC CC1(C)[C@@H]2CC[C@]1(C)[C@H](OCc1ccccc1)[C@H]2OC=O 263589770 RLHWKPHEDMEOHF-KYHPRHEASA-N 288.387 3.570 0 30 CHAC Cc1ccsc1CNC(=O)c1sccc1Cl 148051 MNFAXUMJVZGMKT-UHFFFAOYSA-N 271.794 3.701 0 30 CHAC CCc1ccc2cc(/C=C/[N+](=O)[O-])c(Cl)nc2c1 32099804 QRANOURNMJPIKF-AATRIKPKSA-N 262.696 3.698 0 30 CHAC COc1ccc2[nH]c(C(=O)Nc3ccc(C)c(F)c3)cc2c1 114537 CMXUKKOQMOIOGB-UHFFFAOYSA-N 298.317 3.876 0 30 CHAC C[C@H](NC(=O)OC(C)(C)C)C(=O)c1ccc2ccccc2c1 114706517 OSQCVPHMTYWESN-LBPRGKRZSA-N 299.370 3.936 0 30 CHAC C[S@](=O)(=NC(=O)c1ccc(Cl)cc1)c1cccs1 13466310 LNRVXIQHDHYFTL-GOSISDBHSA-N 299.804 3.699 0 30 CHAC O=C(O)CCc1c(-c2cccs2)[nH]c2ccccc12 19725531 ZAUVVUNJKOIMAH-UHFFFAOYSA-N 271.341 3.914 0 30 CHAC CNc1ccc(C(F)(F)F)cc1Br 123505335 MILAKCJRZZQIRW-UHFFFAOYSA-N 254.049 3.510 0 30 CHAC Brc1cc2sc(Br)nc2s1 137331571 QXGLCTPPOGYHKH-UHFFFAOYSA-N 299.012 3.883 0 30 CHAC CC[C@H](C)OC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 3604083 JNJWTHMHROHMGZ-WDEREUQCSA-N 270.756 3.757 0 30 CHAC CCc1cc(Br)sc1Br 91301249 SEFOUDCWOOYMAQ-UHFFFAOYSA-N 269.989 3.836 0 30 CHAC CC(C)CNCCCC(O)(c1ccccc1)c1ccccc1 36401704 HZBNYWKTUVPGOT-UHFFFAOYSA-N 297.442 3.948 0 30 CHAC Cc1ccc(C)n1NC(=O)CSc1ccc(Cl)cc1 33868803 ADYFVDXCRMTIPQ-UHFFFAOYSA-N 294.807 3.621 0 30 CHAC O=C(O)C[C@H]1C[C@@H](c2ccccc2)c2ccccc21 33866319 SPMZTVMUKNTXEW-CJNGLKHVSA-N 252.313 3.781 0 30 CHAC CC(C)(C)OC(=O)N1CCC(=O)c2ccc(Cl)cc21 95757558 ATUPZOCVIIIEAU-UHFFFAOYSA-N 281.739 3.668 0 30 CHAC CCCC[C@@H](SS[C@H](CCCC)C(=O)O)C(=O)O 2015567 MWPDZNLNSAHLMK-NXEZZACHSA-N 294.438 3.655 0 30 CHAC Cc1sc(Br)nc1NC(=O)OC(C)(C)C 95930336 XPPWJRKUJSYDPK-UHFFFAOYSA-N 293.186 3.561 0 30 CHAC CCCCCCC(=O)N(CCCN)CCCCCC 196492815 ZYMVEPYXYYBRRH-UHFFFAOYSA-N 270.461 3.715 0 30 CHAC Cc1[nH]c2ccccc2c1[C@H](NO)c1ccccc1 1536221462 IVYUKDXXQWWLSU-MRXNPFEDSA-N 252.317 3.545 0 30 CHAC O=C1CC2(C1)CC(c1ccc(Br)cc1)C2 202760232 REAROMGOTZXKEX-UHFFFAOYSA-N 265.150 3.676 0 30 CHAC CC(=O)c1csc(COc2ccc(Cl)cc2)n1 122629 BKMKHUOYYSYZRD-UHFFFAOYSA-N 267.737 3.578 0 30 CHAC COC(=O)[C@]1(C)CCC[C@]2(C)c3cc(O)ccc3CC[C@@H]21 14660696 HRZWXLUBKWXXNM-CGTJXYLNSA-N 288.387 3.576 0 30 CHAC COc1ccc([C@@H]2Nc3cc(C)ccc3O2)cc1OC 145083 UFEMTFFLDQGWNY-MRXNPFEDSA-N 271.316 3.515 0 30 CHAC C[C@@H](CC(=O)c1ccccc1)C(=O)c1cccs1 134850 DIELQOUCMPIQFQ-NSHDSACASA-N 258.342 3.840 0 30 CHAC Cc1ccc(C)c(C(=O)c2c(F)ccc(F)c2C(=O)O)c1 139666973 QNCZXLUCUJRNGO-UHFFFAOYSA-N 290.265 3.511 0 30 CHAC CC[C@H](C(=O)Oc1ccccc1OC)c1ccccc1 38613975 REXUDYYWQZRUFM-AWEZNQCLSA-N 270.328 3.794 0 30 CHAC CN(C(=O)Nc1ccc(Cl)cc1)[C@@H]1C[C@H]2C=C[C@H]1C2 100239660 VBPUHQSYDZQJKL-COPLHBTASA-N 276.767 3.768 0 30 CHAC Clc1ccc(COc2ccncc2)c(Cl)c1 159332 KCQNZYKPYSCUHS-UHFFFAOYSA-N 254.116 3.967 0 30 CHAC Cc1c(Cl)cccc1NC(=O)NCc1ccc(C)n1C 158005 OPYNZWVIZQSOPU-UHFFFAOYSA-N 291.782 3.617 0 30 CHAC Cc1c(Cc2ccc(F)cc2)c(=O)oc2cc(O)ccc12 93732 XQUROFBLTZHZPK-UHFFFAOYSA-N 284.286 3.537 0 30 CHAC N[C@@H](c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cn1 135047837 YKRGLSOQZDSUBT-LBPRGKRZSA-N 286.684 3.802 0 30 CHAC CC[C@@H](NCc1ccccc1)[C@@H](c1ccccc1)N(C)C 33639203 SVLHBGQWBVOVKE-RTBURBONSA-N 282.431 3.858 0 30 CHAC CC[C@@H](NCc1ccccc1)[C@H](c1ccccc1)N(C)C 33639205 SVLHBGQWBVOVKE-MOPGFXCFSA-N 282.431 3.858 0 30 CHAC Clc1cc(Cl)nc(Sc2ccccc2)n1 200948202 MVJNIQNDGYXKMP-UHFFFAOYSA-N 257.145 3.935 0 30 CHAC CNc1ccc(Cc2ccc(NC)c3c2O3)c2c1O2 5996579 GDDJPNQPWHJWFE-UHFFFAOYSA-N 254.289 3.572 0 30 CHAC O=[N+]([O-])c1cccc(OCc2ccccc2)c1Cl 34277974 GLTLFMUDGDGJFR-UHFFFAOYSA-N 263.680 3.827 0 30 CHAC CC[C@H](CCCC[C@@H]1CC[C@@H]2CC(=O)C[C@H]12)OC 1637760 KDULJHFMZBRAHO-RRCSTGOVSA-N 252.398 3.977 0 30 CHAC in-man O=C(O)c1cnn(-c2ccccc2)c1-c1ccc(Cl)cc1 8699888 ZRAJIFOFGATELO-UHFFFAOYSA-N 298.729 3.891 0 30 CHAC Cc1ccc(C(=O)ON=Cc2ccc(Cl)cc2)cc1 254394314 NEQURLHDKLUCDM-UHFFFAOYSA-N 273.719 3.839 0 30 CHAC COc1ccc(C(=O)NCc2csc3ccccc23)cc1 69432 NIVZBLQPDBHOKG-UHFFFAOYSA-N 297.379 3.840 0 30 CHAC Cc1ccc(Oc2ccc(O[C@H](C)C(=O)O)cc2)cc1 33727208 LYSGPXNPXMXUJV-GFCCVEGCSA-N 272.300 3.639 0 30 CHAC FC(F)Sc1nccc(C=Cc2ccccc2)n1 2265276939 XHMUUEVENIXHEJ-UHFFFAOYSA-N 264.300 3.962 0 30 CHAC C[C@@H]1CC[C@@H]2C(=O)N(c3ccc(C(C)(C)C)cc3)C(=O)[C@H]2C1 248328209 BEAVIIGYZJAHFG-KCXAZCMYSA-N 299.414 3.910 0 30 CHAC C[C@@H]1CCC[C@@H](C)N1CCCNc1n[nH]c2ccccc12 33877844 WGOFCCGLYQIQSC-ZIAGYGMSSA-N 286.423 3.628 0 30 CHAC CC(=O)O[C@H](C)[C@@H]1C[C@H]2C=C(C)[C@H]1C[C@@H]2C(C)C 111906010 FBJZZRLZTRJKPC-BTAUDXDXSA-N 250.382 3.813 0 30 CHAC CC(C)(C)c1nsc(C(Cl)(Cl)Cl)n1 95883678 FSCKVTLOPMUWBZ-UHFFFAOYSA-N 259.589 3.662 0 30 CHAC N[C@@H](c1ccc(Cl)cc1)c1cccc(OC(F)F)c1 37308782 KYQFZIUJXKGZHE-ZDUSSCGKSA-N 283.705 3.990 0 30 CHAC CC(C)COC(=O)[C@@](O)(c1ccccc1)C1CCCCC1 382 ARZBHIWSBXERKM-GOSISDBHSA-N 290.403 3.654 0 30 CHAC in-man CCCCCC(=O)OC[C@@H](C)OC(=O)CCCCC 5542213 RMZFJNNOMUICLE-CYBMUJFWSA-N 272.385 3.622 0 30 CHAC Nc1ccc2c(c1)CCCN2Cc1ccc(Cl)cc1 19875200 GCEZBESOBSHFHY-UHFFFAOYSA-N 272.779 3.875 0 30 CHAC in-vitro COc1ccc2[nH]cc([C@@H](C[N+](=O)[O-])c3ccccc3)c2c1 35856683 RDHOPMDDIHENBS-INIZCTEOSA-N 296.326 3.585 0 30 CHAC O=C(O)/C(=C/c1ccsc1)c1cc(F)cc(F)c1 110628 JYJVZVFMPKYTSG-KGVSQERTSA-N 266.268 3.652 0 30 CHAC CC[C@H](CCCC[C@@H]1CC[C@@H]2CC(=O)C[C@@H]12)OC 11678358 KDULJHFMZBRAHO-XOUADPBQSA-N 252.398 3.977 0 30 CHAC in-man CC(=O)O[C@H](C)[C@@H]1C[C@H]2C=C(C)[C@H]1C[C@H]2C(C)C 256082950 FBJZZRLZTRJKPC-JZYAIQKZSA-N 250.382 3.813 0 30 CHAC CN(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 145147 UHEAXRJEZXIZAT-UHFFFAOYSA-N 257.177 3.790 0 30 CHAC Nc1ccc(Cc2cccc(Cl)c2N)cc1Cl 5784350 OWESKDKDULSMLC-UHFFFAOYSA-N 267.159 3.749 0 30 CHAC CCCCCCOc1ccc(C(N)=O)c2ccccc12 33611509 QFYXNEUZWKCCEN-UHFFFAOYSA-N 271.360 3.898 0 30 CHAC CNc1ccc(C(F)(F)F)c(Br)c1 306153509 BOANMGIIYSQQSJ-UHFFFAOYSA-N 254.049 3.510 0 30 CHAC Cc1ncc(CSc2ccc(Cl)cc2)c(CO)c1O 138431 LGTQWDQLAIEZOC-UHFFFAOYSA-N 295.791 3.534 0 30 CHAC CCCC[C@H](NCC)C(=O)Nc1c(C)cccc1Cl 33875424 RIJZZXCVNSTOOF-ZDUSSCGKSA-N 282.815 3.755 0 30 CHAC C[C@@H]1CC[C@H]2C(=O)N(c3ccc(C(C)(C)C)cc3)C(=O)[C@@H]2C1 4377581 BEAVIIGYZJAHFG-DAXOMENPSA-N 299.414 3.910 0 30 CHAC C=Cc1ccc(Br)cc1Br 90735106 NTHFKMZKTASAMH-UHFFFAOYSA-N 261.944 3.855 0 30 CHAC Cc1cc(Cl)ccc1OCc1ccc(C(=O)O)cc1 4377473 ISTYRCJCZVHXDU-UHFFFAOYSA-N 276.719 3.926 0 30 CHAC CN1C(=O)CN=C(C2CCCCC2)c2cc(Cl)ccc21 31302541 WOWMEMNXULCAKT-UHFFFAOYSA-N 290.794 3.686 0 30 CHAC Clc1cc2c(Cl)noc2cc1Br 238556216 LZZSVKJBXLCBDK-UHFFFAOYSA-N 266.909 3.897 0 30 CHAC COc1ccc([C@H]2Nc3cc(Cl)ccc3O2)cc1 144475 LNTHSPHYJRJFTG-AWEZNQCLSA-N 261.708 3.852 0 30 CHAC O=C1OC(=CNc2ccc(Cl)cc2)c2ccccc21 2265276395 JAORPMSELVHRTA-UHFFFAOYSA-N 271.703 3.921 0 30 CHAC Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3 4215487 NLBUEDSBXVNAPB-DFQSSKMNSA-N 297.442 3.861 0 30 CHAC in-vivo C(=C/c1ccco1)\C1=NN(Cc2ccccc2)CC1 172696 TZJJEWQIWXRFAJ-CMDGGOBGSA-N 252.317 3.555 0 30 CHAC C[C@H]1c2ccccc2CCc2cccc(CN(C)C)c21 31576786 LJQSXHWBRMQHID-AWEZNQCLSA-N 265.400 3.999 0 30 CHAC OC1(c2cccc(OCc3ccccc3)c2)CCC1 145590862 UCRRVHJLSNXDID-UHFFFAOYSA-N 254.329 3.637 0 30 CHAC FC(Br)(Br)c1ccccc1 148493050 FUJFHJAWFLGHLR-UHFFFAOYSA-N 267.923 3.556 0 30 CHAC CS[C@@]1(c2ccc(C)cc2)CC(C)=C(C)C[S@@]1=O 339262 NYJIOPKPWXYYRX-MAUKXSAKSA-N 280.458 4.000 0 30 CHAC CC(=O)c1cnn(-c2ccc(Cl)c(Cl)c2)c1C 141974 HXTOGFTUSBHCON-UHFFFAOYSA-N 269.131 3.690 0 30 CHAC Clc1ccc(C2CC2)c(I)c1 135864858 GSGBHTZRBBSXRI-UHFFFAOYSA-N 278.520 3.822 0 30 CHAC C[C@H](NCC(F)(F)F)c1ccccc1Br 19486529 WLEPKLIVEDMNPF-ZETCQYMHSA-N 282.103 3.662 0 30 CHAC C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)CC=CC[C@@]34C)[C@@H]1CC[C@@H]2O 2265351435 KDSYIIWCLNQJNC-WYBWHWPOSA-N 290.447 3.671 0 30 CHAC CCOC(COc1ccc(SC(F)F)cc1)OCC 15042788 UMIDRBNFSLAOIU-UHFFFAOYSA-N 292.347 3.779 0 30 CHAC CCCc1ccc(N2C(=O)[C@@H]3CC[C@@H](C)C[C@H]3C2=O)cc1 102926679 LJLUHCWJHIETCP-DAXOMENPSA-N 285.387 3.565 0 30 CHAC C[C@H](CC(=O)c1ccccc1)C(=O)c1cccs1 134853 DIELQOUCMPIQFQ-LLVKDONJSA-N 258.342 3.840 0 30 CHAC CC[C@H](C)CC(=O)O[C@H](C)[C@H](C)OC(=O)C[C@H](C)CC 33885936 GWNMIQRGDYKMPM-LVEBTZEWSA-N 286.412 3.722 0 30 CHAC CCCc1cc(=O)c2c(Cl)cc(Cl)cc2[nH]1 32099923 YKPULPLRDPZHPD-UHFFFAOYSA-N 256.132 3.787 0 30 CHAC O=C1c2ccccc2[C@@H]2CC(c3ccc(Cl)s3)=NN12 101333 UJUZWUTXTPOEFV-NSHDSACASA-N 288.759 3.706 0 30 CHAC CCC[C@H]1[C@@H](CC)C=NN1C(=S)Nc1ccccc1 33847185 QQQSNWKFFBJJGP-JSGCOSHPSA-N 275.421 3.880 0 30 CHAC O=C(Nc1ccc2ccccc2n1)C1CCCCC1 153124 DHFLYUQFYGRMEU-UHFFFAOYSA-N 254.333 3.754 0 30 CHAC O=C(Nc1ccc(F)cc1F)c1cc(Cl)ccc1O 139741 XHNSTUXYNVYHBA-UHFFFAOYSA-N 283.661 3.576 0 30 CHAC CC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccccc1 21998709 ZDZXUEVJHMDOAT-LJQANCHMSA-N 290.366 3.662 0 30 CHAC Cc1nc(-c2nnc(-c3ccccc3)o2)c(C(F)(F)F)o1 77616 AHXZGKNOYBNLSO-UHFFFAOYSA-N 295.220 3.719 0 30 CHAC COc1ccc(N2C[C@@H]3CCCc4ccccc4C3=N2)cc1 4362128 DKEAIPSEXJEHSL-HNNXBMFYSA-N 292.382 3.872 0 30 CHAC O=C(c1ccccc1Cl)[C@H](O)c1ccccc1Cl 139131885 XIPVYXVCNZSXSP-CYBMUJFWSA-N 281.138 3.910 0 30 CHAC CC[C@H](C)CC(=O)O[C@H](C)[C@@H](C)OC(=O)C[C@@H](C)CC 33885939 GWNMIQRGDYKMPM-IGQOVBAYSA-N 286.412 3.722 0 30 CHAC FC(F)C(F)(F)c1ccc(Br)cc1 220926224 VDHGHODVKYQZLA-UHFFFAOYSA-N 257.024 3.806 0 30 CHAC CC(C)(C)OC(=O)N[C@H]1CCNc2ccc(Cl)cc21 68575630 HJSJGOZAQBFPAB-LBPRGKRZSA-N 282.771 3.721 0 30 CHAC CN(C)C(OCC[Si](C)(C)C)OCC[Si](C)(C)C 195800095 GYFJJPXKRVCZPC-UHFFFAOYSA-N 291.584 3.541 0 30 CHAC CCOc1cc(-c2ccccn2)nc(-c2ccccn2)c1 8824 URIBOHWQXVEZQF-UHFFFAOYSA-N 277.327 3.604 0 30 CHAC COC(=O)c1ccc2[nH]cc(C(=O)CC(C)(C)C)c2c1 72232973 NRNQTHOFHIGKIJ-UHFFFAOYSA-N 273.332 3.573 0 30 CHAC Cc1cc(C)c2cc(C(=O)NC3CCCCC3)[nH]c2c1 171618 HVSCDVSEALONKG-UHFFFAOYSA-N 270.376 3.847 0 30 CHAC Cc1c(N)cc(Br)c(Br)c1Cl 306930722 BWHOEEGNJFXGQD-UHFFFAOYSA-N 299.393 3.756 0 30 CHAC CC(C)Oc1ccc(CCCCCC(=O)O)cc1 35324037 CNLBRWJFIKNTDH-UHFFFAOYSA-N 250.338 3.661 0 30 CHAC Nc1cc(OCc2ccccc2)ccc1-n1cccc1 39043936 QEAPIBRZAYOYQM-UHFFFAOYSA-N 264.328 3.639 0 30 CHAC C[C@@H]1c2ccccc2CCc2cccc(CN(C)C)c21 31576780 LJQSXHWBRMQHID-CQSZACIVSA-N 265.400 3.999 0 30 CHAC COc1ccc2[nH]c3c(C)c(C=O)cc(C)c3c2c1 33606212 ONWQRYWVYUOPML-UHFFFAOYSA-N 253.301 3.759 0 30 CHAC CC(C)(C)c1cccc(NC(=S)N2CCSCC2)c1 172815 RJKVQBUJPODLBM-UHFFFAOYSA-N 294.489 3.730 0 30 CHAC CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)C1 66339703 FEOHINGRIOZVFW-LBPRGKRZSA-N 265.328 3.550 0 30 CHAC Cc1cc(I)ccc1C(C)C 144368182 LQMDSFQMXPMCFJ-UHFFFAOYSA-N 260.118 3.723 0 30 CHAC O=[P@@]1(Oc2ccc(Cl)cc2)Nc2ncccc2O1 267329185 RUILJYRHGAYARN-GOSISDBHSA-N 282.623 3.726 0 30 CHAC COc1ccc(-c2nc3n(c2-c2ccncc2)CCC3)cc1 4377 UIJWMSUSZQORDJ-UHFFFAOYSA-N 291.354 3.567 0 30 CHAC CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 5554 DSEPKSLFXGYPIU-INIZCTEOSA-N 298.430 3.960 0 30 CHAC O=c1oc(-c2ccc(F)c(Cl)c2)nc2cccc(F)c12 166948 VBQDPBKLSYZZIS-UHFFFAOYSA-N 293.656 3.787 0 30 CHAC C[C@@H](c1ccc(Br)cc1)N1CCCCC1 83442670 BDISBPIAIZBDKU-NSHDSACASA-N 268.198 3.996 0 30 CHAC O=[S@@](c1ccc(Cl)cc1Cl)C(F)(F)F 142671527 FYKXRVUSIQYRRG-CQSZACIVSA-N 263.067 3.621 0 30 CHAC O=C1CCCc2c1ccc1c3c(ccc21)C(=O)CCC3 88381 ZGRJWKKFVZUPPD-UHFFFAOYSA-N 264.324 3.878 0 30 CHAC COc1cc(C(=O)OCl)cc(-c2ccccc2)c1 604934837 ZLUGZKLLXZJGRW-UHFFFAOYSA-N 262.692 3.673 0 30 CHAC Nc1ccccc1[C@@](O)(Cc1ccccc1)c1ccccc1 1045611 LUPBXHUCHLZODP-HXUWFJFHSA-N 289.378 3.747 0 30 CHAC Cc1ccc(NC(=S)N[C@@H]2C[C@H]3C=C[C@H]2C3)c(C)c1 100234550 MPMPESDOZVTRHW-KCQAQPDRSA-N 272.417 3.554 0 30 CHAC CN1N=C2c3ccccc3CC[C@H]2[C@@H]1c1ccc(F)cc1 102641 AZAOLKIXRBAKQR-AEFFLSMTSA-N 280.346 3.779 0 30 CHAC CC[C@H](C)c1c[nH]c2ncc(Br)cc12 685965875 XMPBMNMMJGHCGP-ZETCQYMHSA-N 253.143 3.839 0 30 CHAC CC(C)(C)OC(=O)c1sc(Cl)nc1C(F)F 584880043 QZADFZKVDGZSKU-UHFFFAOYSA-N 269.700 3.689 0 30 CHAC COc1c(C)c(O)cc2c1CC[C@@H](c1ccccc1)O2 13334921 PZRKAAPKQGONFG-HNNXBMFYSA-N 270.328 3.776 0 30 CHAC biogenic,in-vitro CC(C)(C)OC(=O)N1CCC(c2cnc(C3CC3)o2)CC1 44601950 RCSQBGPSBZWDCL-UHFFFAOYSA-N 292.379 3.667 0 30 CHAC CCN(CC)C(=S)Oc1c(Cl)cccc1Cl 72100 GKIABUZRVIWTAN-UHFFFAOYSA-N 278.204 3.999 0 30 CHAC Fc1ccc(-c2nn(C3CC3)cc2Br)cc1 116508743 DPZXPSKYWCPZQO-UHFFFAOYSA-N 281.128 3.787 0 30 CHAC CC(C)c1ccc([C@@H](N)Cn2cnc3ccccc32)cc1 11849748 PAUABKUPJSAFRG-INIZCTEOSA-N 279.387 3.860 0 30 CHAC CCOc1ccc(-c2nc3scc(C)n3c2C=O)cc1 31863341 KXRMBXUQIHKZFM-UHFFFAOYSA-N 286.356 3.582 0 30 CHAC CCSC(SCC)c1ccccc1OC(=O)NC 5650991 GAAGFBCYBSDRSY-UHFFFAOYSA-N 285.434 3.910 0 30 CHAC Fc1cccc([C@@H]2SCc3nc4ccccc4n32)c1 12942599 KBLDVUXZJWDYOM-HNNXBMFYSA-N 270.332 3.969 0 30 CHAC CC(C)(C)OC(=O)N1CC=C(c2ccc(O)cc2F)CC1 953124083 FBDCLEUAJLBRON-UHFFFAOYSA-N 293.338 3.556 0 30 CHAC COCc1ccccc1CNc1nc2ccccc2o1 26719420 QNCQNQXDEPMRLJ-UHFFFAOYSA-N 268.316 3.586 0 30 CHAC in-vitro Nc1c(-c2ccc(Cl)cc2)oc2ccccc2c1=O 161728 XSMVRGLTOKZIEM-UHFFFAOYSA-N 271.703 3.696 0 30 CHAC Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C)cc1 135787456 CWNUDACRYAPXGT-SJCJKPOMSA-N 252.313 3.948 0 30 CHAC C[C@H](OCO[P@](=O)(O)O[C@@H](C)C(C)(C)C)C(C)(C)C 604935093 QSVWNSNTVMEACS-QWRGUYRKSA-N 296.344 3.963 0 30 CHAC CCc1ccc2nc(Cl)c(/C=C/[N+](=O)[O-])cc2c1 32099803 KRSRXIKQNHXKCQ-AATRIKPKSA-N 262.696 3.698 0 30 CHAC CCOC(=O)C[C@@H]1CCc2c(C)cc(Br)cc21 261069652 OZURUMSYNJLNJA-JTQLQIEISA-N 297.192 3.741 0 30 CHAC CC(C)(C)c1nc(Br)sc1Br 72192947 WAMCVRUDIRVEAY-UHFFFAOYSA-N 299.031 3.966 0 30 CHAC C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@H]2O 13507167 MUMGGOZAMZWBJJ-NQSUBMFWSA-N 288.431 3.879 0 30 CHAC COc1ccc2c(Br)cnc(Cl)c2c1 218798248 XNCSDEUKPCVVBQ-UHFFFAOYSA-N 272.529 3.659 0 30 CHAC CC(C)(C)OC(=O)Nc1ccc(N)cc1C(F)(F)F 36737216 XTIWDNLYADGPNL-UHFFFAOYSA-N 276.258 3.635 0 30 CHAC COc1cc(Br)cc2ccc(Cl)nc12 226007123 HLIIEXHUEOKGOY-UHFFFAOYSA-N 272.529 3.659 0 30 CHAC FC(F)c1cn(Br)c(-c2ccccc2)n1 299754665 FQJHFPUVBOUWDK-UHFFFAOYSA-N 273.080 3.646 0 30 CHAC Cc1cc(Br)c2c(C)ccc(C)c2n1 1722858 WJCNPODIWFLYPO-UHFFFAOYSA-N 250.139 3.923 0 30 CHAC CCN(N=O)[C@H](C)Cc1cccc(C(F)(F)F)c1 504256370 JVGWNJLSTCQSCZ-SECBINFHSA-N 260.259 3.640 0 30 CHAC biogenic,in-vitro C[C@H]1c2ccsc2CCN1C(=O)c1cccs1 143565 YIAQGAPIWBZBNQ-VIFPVBQESA-N 263.387 3.569 0 30 CHAC CCCC[C@@H](C)O[S@](=O)(=S)c1ccc(C)cc1 90427283 KQKKQHBXEGNXSD-PXAZEXFGSA-N 272.435 3.611 0 30 CHAC Clc1cc(CN2CCSCC2)c(Cl)s1 142763 FEELUCMOTWATJL-UHFFFAOYSA-N 268.234 3.604 0 30 CHAC CCCc1ccc(N2C(=O)CS[C@@H]2c2cccnc2)cc1 100192 XAAZVFWBHOTTDF-QGZVFWFLSA-N 298.411 3.813 0 30 CHAC Brc1cc(Br)cc(OC2CC2)c1 307760052 UQXCWJRIRDBDIA-UHFFFAOYSA-N 291.970 3.753 0 30 CHAC Cc1ccc(CSc2nc(Cl)ns2)cc1 216712166 HRNCHOSCMMKGJC-UHFFFAOYSA-N 256.783 3.792 0 30 CHAC Ic1cccc2ccsc12 15042080 RBVMCNDUYBMNKQ-UHFFFAOYSA-N 260.099 3.506 0 30 CHAC Clc1ccc2[nH]c(CNCc3ccccc3)nc2c1 43258103 UMAFQOCISKEEPQ-UHFFFAOYSA-N 271.751 3.506 0 30 CHAC CSc1cnc(OCc2ccccc2C)s1 384333252 VCFZFGYDJHECCC-UHFFFAOYSA-N 251.376 3.752 0 30 CHAC COc1ccnc(CSc2nc3ccccc3[nH]2)c1C 29474868 HZNKDLUKNUEOOX-UHFFFAOYSA-N 285.372 3.567 0 30 CHAC in-vitro CC(C)(C)OC(=O)N1CCC(c2ccc(O)cc2F)CC1 75907430 OXBZNHPYARPLMK-UHFFFAOYSA-N 295.354 3.646 0 30 CHAC Cc1cc(Cl)ccc1O[C@@H](C)C(=O)OCC(C)C 6070135 RMPYJRQOSTUDNH-NSHDSACASA-N 270.756 3.615 0 30 CHAC CCCc1cc(=O)c2c(Cl)ccc(Cl)c2[nH]1 32099924 LKVDABRYOAGQSG-UHFFFAOYSA-N 256.132 3.787 0 30 CHAC COc1cc(O)cc(-c2cc3cc(O)c(OC)cc3o2)c1 13340111 GOUSNRMGQRTROZ-UHFFFAOYSA-N 286.283 3.528 0 30 CHAC endogenous,in-man Fc1ccc(Oc2ccc(Br)cn2)c(F)c1 42388969 NHTWBCCLWMOEKU-UHFFFAOYSA-N 286.075 3.915 0 30 CHAC COc1ccncc1C(=O)Nc1cc(Cl)cc(Cl)c1 78569 NDUVXZDLQIAAPF-UHFFFAOYSA-N 297.141 3.649 0 30 CHAC COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1C=C[C@H]2O 141798826 KAECVEVIXKMEOP-NNIGNNQHSA-N 284.399 3.688 0 30 CHAC CSc1cccc(NC=C2OC(=O)c3ccccc32)c1 2265278920 YJFZJVMSMWFGDC-UHFFFAOYSA-N 283.352 3.989 0 30 CHAC CC(=O)O[C@]1(CC(C)C)C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 256083001 FPPRJKWGULBYSC-OLMNGRFOSA-N 250.382 3.791 0 30 CHAC O=C(Nc1ccc(Cl)cc1)c1ccncc1Cl 2524968 IVGHKDVZQUTNRZ-UHFFFAOYSA-N 267.115 3.641 0 30 CHAC COC(=O)CSc1cc(C)c(Cl)cc1Cl 91110 YMYYDJGHGXJKHB-UHFFFAOYSA-N 265.161 3.567 0 30 CHAC CC1=CC[C@@H](C(C)(C)OC(=O)c2ccccc2N)CC1 1850644 UHUIKPAIJHOKNF-CYBMUJFWSA-N 273.376 3.951 0 30 CHAC endogenous,in-man CCCCN(C(C)(C)C)S(=O)(=O)c1ccc(C)cc1 2145640 UGQXHJPSKTURMU-UHFFFAOYSA-N 283.437 3.584 0 30 CHAC CCN(CC)C(=S)Oc1ccc(Cl)cc1Cl 99209 FWXFIMVQNOYOTD-UHFFFAOYSA-N 278.204 3.999 0 30 CHAC Nc1nc2cc(Cl)c(Cl)c(Cl)c2s1 13208149 PZTKRJPVVXGQBP-UHFFFAOYSA-N 253.541 3.839 0 30 CHAC CCOC(=O)c1ncoc1-c1cccc(C(F)(F)F)c1 107365 RIRFBXYMQGLIGS-UHFFFAOYSA-N 285.221 3.537 0 30 CHAC CNCC[C@H](Oc1cccc(C)c1)c1ccccc1 34639643 JJKJMPPFRLCYEB-KRWDZBQOSA-N 255.361 3.725 0 30 CHAC in-vitro CSc1nc(Cl)c2sc3ncccc3c2n1 51951611 YGSFMBYLDAVZQB-UHFFFAOYSA-N 267.766 3.615 0 30 CHAC CCN(CC)CCOC[C@@H]1C(C)=CC[C@@H]2[C@@H]1C2(C)C 256090697 PULVHGXFJNZOLV-BZUAXINKSA-N 265.441 3.583 0 30 CHAC O=C(CSc1ccccc1)Nc1ccc(F)c(F)c1F 93668 YXDIMIBVEDQMFX-UHFFFAOYSA-N 297.301 3.835 0 30 CHAC FC(F)c1nccc2cc(Br)ccc12 667395526 PHOMVFRCNKOODI-UHFFFAOYSA-N 258.065 3.935 0 30 CHAC O[C@H]1CCCC[C@@H]1Sc1ccc(Br)cc1 37491036 OBDOVCIIWHGDPK-RYUDHWBXSA-N 287.222 3.845 0 30 CHAC CC(C)(C)OC(=O)n1cc(CCO)c2cc(Cl)ccc21 14984947 FGPHYBJKIXWZGD-UHFFFAOYSA-N 295.766 3.613 0 30 CHAC S=C(Nc1cccc(Cl)c1)N[C@@H]1C[C@H]2C=C[C@H]1C2 100234502 QPUBAQHSJFYHIW-OUJBWJOFSA-N 278.808 3.591 0 30 CHAC O=C(Cc1nc2ccccc2o1)c1cccc(Cl)c1 34940225 ZYDMXYOKAGHGGH-UHFFFAOYSA-N 271.703 3.907 0 30 CHAC N=C(NC(=O)c1cccc(C(F)(F)F)c1)c1cccs1 20230353 GQZNMBVMDBCDFU-UHFFFAOYSA-N 298.289 3.522 0 30 CHAC CC(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccccc1 21998705 ZDZXUEVJHMDOAT-IBGZPJMESA-N 290.366 3.662 0 30 CHAC O[C@H](Cn1ccnc1)c1ccc(C2CCCCC2)cc1 27849955 KVRFDUMBYULIRY-QGZVFWFLSA-N 270.376 3.664 0 30 CHAC CCCC[C@@H](C)Nc1cc(NC(C)=O)ccc1OC 4774034 KDVBCMHDPJCRBL-LLVKDONJSA-N 264.369 3.644 0 30 CHAC O=C(O)c1cnccc1Nc1cccc(C(F)(F)F)c1 30691313 NLBIKXOJCISNQP-UHFFFAOYSA-N 282.221 3.542 0 30 CHAC in-man N[C@@H](CC(F)(F)F)c1cc(Cl)cc(Cl)c1 95673677 ZNLHMXGTUGHXOO-QMMMGPOBSA-N 258.070 3.946 0 30 CHAC CN[C@@H]1CCN2c3ccccc3CCc3cccc1c32 4212470 AEOOLRRTECSMIN-MRXNPFEDSA-N 264.372 3.588 0 30 CHAC in-man Cc1cc(Cl)ccc1NC(=O)c1cc(F)ccc1O 39285490 QIFURBGMYXUKGA-UHFFFAOYSA-N 279.698 3.745 0 30 CHAC O=C(O)c1ccc(-c2ccc(F)cc2Cl)cc1 95935398 KTEKPJWBYQYJLW-UHFFFAOYSA-N 250.656 3.844 0 30 CHAC CSC1=NC(C=Cc2ccc(F)cc2)=CC(C)(C)N1 83291645 IQMYHJKDNBKURJ-UHFFFAOYSA-N 276.380 3.824 0 30 CHAC C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)CCC[C@@]12O 136461528 ICLRFACJGMUUQI-GJWDPZFISA-N 292.463 3.895 0 30 CHAC Cc1cc(C)cc(-c2c(O)c3ccccc3oc2=O)c1 5765149 MEGNNNHOKFVHGC-UHFFFAOYSA-N 266.296 3.782 0 30 CHAC in-man Cc1cc(C)cc(NC(=O)Nc2cccc(C(=O)O)c2)c1 151377 CSMXTXWIIYBJEO-UHFFFAOYSA-N 284.315 3.646 0 30 CHAC CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@H]2O 5955141 FBYZQDCRLYHHHP-OXKKCRRXSA-N 288.431 3.879 0 30 CHAC N[C@H](CC(F)(F)F)c1cccc(C(F)(F)F)c1 19968765 RMRLJURMVRQWOM-MRVPVSSYSA-N 257.177 3.658 0 30 CHAC in-vitro CC(C)(C)C(=O)Nc1cc(C2CC2)nn1-c1ccccc1 165388 CGVUXCGZYDIMGO-UHFFFAOYSA-N 283.375 3.734 0 30 CHAC COc1ccc2[nH]c3c(c2c1)CN(Cc1ccccc1)CC3 31424887 FCUJMVMWOLCXGK-UHFFFAOYSA-N 292.382 3.735 0 30 CHAC Cc1ccccc1NC(=O)C(C(F)(F)F)C(F)(F)F 3157191 ALNYQKWYBYWULR-UHFFFAOYSA-N 285.187 3.674 0 30 CHAC biogenic COC(=O)c1c[nH]c2cc(OCc3ccccc3)ccc12 89157458 JMYLTCHYKBERNN-UHFFFAOYSA-N 281.311 3.534 0 30 CHAC O=C(NCCc1ccccc1)Oc1ccc(Cl)cc1 135169 FUPQGUPBGVPQNP-UHFFFAOYSA-N 275.735 3.671 0 30 CHAC CC(=O)Nc1cc2ccccc2cc1Br 5160617 LVFGSFGSVRMEDI-UHFFFAOYSA-N 264.122 3.561 0 30 CHAC Nc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1 22141051 OZJIDHYZEGABEI-UHFFFAOYSA-N 280.249 3.540 0 30 CHAC CC[C@@H](C(=O)Oc1ccccc1OC)c1ccccc1 38613979 REXUDYYWQZRUFM-CQSZACIVSA-N 270.328 3.794 0 30 CHAC Cc1c(C)c(C)c(CN2CCSCC2)c(C)c1C 140219 YONOEZZTUAGYKJ-UHFFFAOYSA-N 263.450 3.778 0 30 CHAC O=C1Nc2cc(Cl)ccc2/C1=C\c1ccccc1 573334 YIFCXPKLWPWAQV-MDWZMJQESA-N 255.704 3.833 0 30 CHAC CCOC(=O)c1c(-c2c(F)cccc2Cl)noc1C 33607364 PPLHLTAXAFQXGE-UHFFFAOYSA-N 283.686 3.619 0 30 CHAC OC1=C(O)CC2=C[C@H]3CCc4cc(O)ccc4[C@H]3C2=C1 60116686 JLVLSSLAEKLION-QGHHPUGFSA-N 268.312 3.636 0 30 CHAC CCCC(=O)C1=C(O)C[C@H](C[C@H](C)SCC)CC1=O 90476157 XMJMYDRELXEWGM-QWRGUYRKSA-N 284.421 3.679 0 30 CHAC FC(F)(F)c1ccc(Nc2nnc(S)s2)cc1 98797 ZYXQGZKFNXNWHP-UHFFFAOYSA-N 277.296 3.589 0 30 CHAC COC(=O)c1cnc(-c2cccc(C(F)(F)F)c2)s1 66345368 GYFAAZMGGUQWKI-UHFFFAOYSA-N 287.262 3.616 0 30 CHAC O=[N+]([O-])c1cc(C=NO)ccc1Oc1cccc(Cl)c1 254837567 GEDYBAGAJFJMGV-UHFFFAOYSA-N 292.678 3.849 0 30 CHAC CC1(OC(=O)[C@H]2C[C@H]3C=C[C@@H]2C3)[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 2265357453 OJGSGTWNQWAFBE-QTEYMORXSA-N 286.415 3.957 0 30 CHAC CN(C(=O)OC(C)(C)C)c1ccnc2ccsc12 1535646101 VCVBWAWZELSKRW-UHFFFAOYSA-N 264.350 3.668 0 30 CHAC CC(C)COC(=O)[C@](O)(c1ccccc1)C1CCCCC1 5759351 ARZBHIWSBXERKM-SFHVURJKSA-N 290.403 3.654 0 30 CHAC in-man O=C(CCl)c1c[nH]c(C=NNc2ccccc2Cl)c1 254705385 XRXQJMKAKRYOKW-UHFFFAOYSA-N 296.157 3.536 0 30 CHAC Cc1cc(O)c(-c2ccnn2-c2ccccc2)cc1C 95935657 QFKLUNREAGLVLJ-UHFFFAOYSA-N 264.328 3.862 0 30 CHAC NCCCN1c2ccccc2CCc2ccc(Cl)cc21 98043949 LHDZEFLZJRLKPT-UHFFFAOYSA-N 286.806 3.926 0 30 CHAC in-man CN[C@H]1CCN2c3ccccc3CCc3cccc1c32 4626627 AEOOLRRTECSMIN-INIZCTEOSA-N 264.372 3.588 0 30 CHAC in-man C[C@@H]1C[C@]2(C)[C@H](O)CC[C@@H]2[C@H]2CCc3cc(O)ccc3[C@@H]12 2015037 DMSFWIJHZMGIJI-GCANXBDHSA-N 286.415 3.855 0 30 CHAC C[C@H](C(=O)c1ccc(Cl)cc1Cl)n1ccnc1 33637224 SFMBWOWMCGHHQM-MRVPVSSYSA-N 269.131 3.634 0 30 CHAC Clc1ncc(-c2ccc(Br)cc2)cn1 40435057 HUZUIPCKZHNORT-UHFFFAOYSA-N 269.529 3.560 0 30 CHAC C/C(=C\C(=O)Nc1ccc(F)cc1)Nc1ccc(F)cc1 2162814 AALRSXINFPAQRF-ZHACJKMWSA-N 288.297 3.919 0 30 CHAC CN(C)CC/C=C1\c2ccccc2COc2cc(O)ccc21 65742876 OHKQNFCWNWKAIY-CAOOACKPSA-N 295.382 3.668 0 30 CHAC in-vitro CCOC(=O)c1cc2sccc2n1Cc1ccccc1 1361090 GGZMKBBXTLBXLL-UHFFFAOYSA-N 285.368 3.928 0 30 CHAC CCn1nc(C)cc1C(=O)Sc1ccccc1Cl 121184 WYVGRWAUQMYNNG-UHFFFAOYSA-N 280.780 3.797 0 30 CHAC CCc1ccc2oc(-c3ccc(O)cc3)cc(=O)c2c1 90415609 IJVRKIILZBMDDH-UHFFFAOYSA-N 266.296 3.728 0 30 CHAC O=C(O)[C@H](CC1CCCCC1)c1ccc(F)cc1 393867996 JZJXBJLIDPBGRK-CQSZACIVSA-N 250.313 3.964 0 30 CHAC CC[C@@H](C)c1c[nH]c2ncc(Br)cc12 685965874 XMPBMNMMJGHCGP-SSDOTTSWSA-N 253.143 3.839 0 30 CHAC COc1cc(C=Cc2ccc(O)cc2)cc(OC)c1OC 2265339970 PGNACKMMQGBVTN-UHFFFAOYSA-N 286.327 3.588 0 30 CHAC Cc1ccc(NC(=O)c2c(C)noc2-c2cc(C)on2)cc1 122222 VWQPMTZTMIWYPB-UHFFFAOYSA-N 297.314 3.507 0 30 CHAC Cc1onc(-c2ccccc2)c1[C@@H](O)c1ccc(F)cc1 140734 SOLXIBWMKWDVLK-KRWDZBQOSA-N 283.302 3.871 0 30 CHAC Nc1c(Cl)cccc1Cc1cccc(Cl)c1N 5784352 QRNOKNRQGABGFX-UHFFFAOYSA-N 267.159 3.749 0 30 CHAC Cc1ccc(-c2ncc(Br)s2)cc1 44119750 WFKKABUBVJWWBU-UHFFFAOYSA-N 254.152 3.881 0 30 CHAC COC(=O)CCC[C@H](C)[C@@H]1CC[C@@H]2C(=O)CCC[C@@]21C 96030377 YDDSWVLLFYZHGD-SZOQZIPDSA-N 280.408 3.751 0 30 CHAC Cc1c(Nc2ccccc2C(=O)O)ccc(O)c1Cl 1853824 VRNDVGVAHVCCCU-UHFFFAOYSA-N 277.707 3.796 0 30 CHAC in-man CCC[C@@H](C)[C@@H](O)C(Cl)(Cl)[Si](C)(C)C 196503151 SSUALHCFYMRLAJ-RKDXNWHRSA-N 257.277 3.835 0 30 CHAC CC(C)Cc1ccc(I)c(F)c1 224791232 DKVWFGWRHWCZQU-UHFFFAOYSA-N 278.108 3.629 0 30 CHAC CON=Cc1cccnc1Sc1ccc(Cl)cc1 254385709 HRTZAGVBOMMFIG-UHFFFAOYSA-N 278.764 3.867 0 30 CHAC CC(=NO)c1sc(-c2ccc(Cl)cc2)nc1C 254555427 PHFXDYCHLYHVPO-UHFFFAOYSA-N 266.753 3.970 0 30 CHAC O=C(O)c1cc(C(F)(F)F)ccc1OCc1ccccc1 39374987 HWGYOFVHXMEEJT-UHFFFAOYSA-N 296.244 3.983 0 30 CHAC CC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 131788 XQSVWNZICKXCTM-UHFFFAOYSA-N 258.704 3.774 0 30 CHAC C1=C[C@H](N2c3ccccc3Oc3ccccc32)COC1 1857792945 CEELGNHNDSOEHL-ZDUSSCGKSA-N 265.312 3.885 0 30 CHAC Fc1cccc([C@H]2SCc3nc4ccccc4n32)c1 5545927 KBLDVUXZJWDYOM-OAHLLOKOSA-N 270.332 3.969 0 30 CHAC COc1ccccc1/C(=C/CN(C)C)c1ccccc1 31320087 AXNUTXBUMYOWSK-DTQAZKPQSA-N 267.372 3.689 0 30 CHAC CCOc1ccc(-c2nc(C)c(C(C)=O)s2)cc1 40414661 SNWYTRSEDYSEAB-UHFFFAOYSA-N 261.346 3.720 0 30 CHAC CCOc1ccccc1[C@H](N)c1cccc(Cl)c1 41352782 KIKLOFFKVHCUDO-OAHLLOKOSA-N 261.752 3.787 0 30 CHAC CCOC(=O)[C@@H](CC)C(=O)OC/C=C(\C)CCC=C(C)C 238790287 DOKVGEOXIJWTST-ATGUSINASA-N 296.407 3.812 0 30 CHAC O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1ccccc1O 38817992 BPRWROSIZXZVSK-UHFFFAOYSA-N 298.125 3.657 0 30 CHAC O=C1CCc2cc(C(=O)CCC3CCCC3)c(F)cc2N1 35359360 VGAXFJZCYSZMJZ-UHFFFAOYSA-N 289.350 3.864 0 30 CHAC S=C(Nc1cccc(Cl)c1)N[C@H]1C[C@H]2C=C[C@H]1C2 100234504 QPUBAQHSJFYHIW-KWBADKCTSA-N 278.808 3.591 0 30 CHAC CCN(CC)CCOC[C@@H]1C(C)=CC[C@H]2[C@H]1C2(C)C 101186745 PULVHGXFJNZOLV-PMPSAXMXSA-N 265.441 3.583 0 30 CHAC Cc1cc(-c2nnc(-c3cccc(C(F)(F)F)c3)o2)no1 122066 SITPXZOHIYAQNL-UHFFFAOYSA-N 295.220 3.719 0 30 CHAC O[C@]1(c2ccccc2)[C@H]2CCC[C@H]1[C@H](N1CCCC1)CC2 604971343 QKKXOOSOMJVKND-INDMIFKZSA-N 285.431 3.549 0 30 CHAC Cc1cc(-c2ccccc2C(=O)Nc2ccccc2O)on1 156738 IMQHTOOGFOBXAT-UHFFFAOYSA-N 294.310 3.608 0 30 CHAC Cc1cc(C)c(-c2ccc3cccnc3n2)c(O)c1 1495615 BUTLQDDPHXZUQR-UHFFFAOYSA-N 250.301 3.619 0 30 CHAC CCC[C@@]1(c2cccc(OC(=O)C(C)C)c2)CCN(C)C1 3640634 MJMYFJLOESUOLS-GOSISDBHSA-N 289.419 3.621 0 30 CHAC CC(C)c1ccc(-n2ncc3ccccc3c2=O)cc1 69778 YHJPHDBPSDBFLO-UHFFFAOYSA-N 264.328 3.509 0 30 CHAC CCC[C@H]1[C@H](CC)C=NN1C(=S)Nc1ccccc1 33847183 QQQSNWKFFBJJGP-OCCSQVGLSA-N 275.421 3.880 0 30 CHAC COCc1ccc(C(=O)O)cc1SCc1ccccc1 95348001 WUVZICOZLKSKDZ-UHFFFAOYSA-N 288.368 3.824 0 30 CHAC FC(F)(F)c1ccc(-c2cncc(Cl)n2)cc1 71619148 SJLPRKVKCMCIKV-UHFFFAOYSA-N 258.630 3.816 0 30 CHAC O[C@]1(c2ccccc2)[C@H]2CCC[C@H]1[C@@H](N1CCCC1)CC2 604971342 QKKXOOSOMJVKND-CADBVGFASA-N 285.431 3.549 0 30 CHAC O=C1CC2(CCCC2)C(=O)N1c1ccc(Cl)c(Cl)c1 74433 AHRFBRDIEMJDCP-UHFFFAOYSA-N 298.169 3.817 0 30 CHAC C[C@H]1OCN(c2ccc(F)cc2)Cn2c1nc1ccccc12 104418 MIWFJSRMWBBTTM-GFCCVEGCSA-N 297.333 3.688 0 30 CHAC CCN(CC)C(=S)Oc1c(C)cc(C)cc1C 150366 SNAVRMKWJXBRNE-UHFFFAOYSA-N 251.395 3.617 0 30 CHAC CN1N=C2c3ccccc3CC[C@@H]2[C@@H]1c1cccs1 13468813 FOUYPIAYLKDGBC-XJKSGUPXSA-N 268.385 3.701 0 30 CHAC C[C@@H](C(=O)c1ccccc1)[C@@H](O)c1ccc(Cl)cc1 21996863 YKJJINLOTHGNPP-MEDUHNTESA-N 274.747 3.892 0 30 CHAC C=Cc1ccc(C(=O)Nc2c(F)cccc2F)cc1 39073419 GZMWUWRNUDXTSO-UHFFFAOYSA-N 259.255 3.860 0 30 CHAC Cc1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)no1 121969 WAICQMRGKSHQEI-UHFFFAOYSA-N 295.220 3.719 0 30 CHAC CCOC(=O)c1cc2ccc(Cl)c(C)c2nc1C 32099612 QEESKEUCWPHTNB-UHFFFAOYSA-N 263.724 3.682 0 30 CHAC CC(=O)c1cc(F)ccc1Oc1cncc(Cl)c1 81699681 SDAZCOKSNOYBHF-UHFFFAOYSA-N 265.671 3.869 0 30 CHAC Clc1ccc(C2CC2)cc1I 238562283 RUIMKQSNRKNGCP-UHFFFAOYSA-N 278.520 3.822 0 30 CHAC O=C(ON=C1CCCc2occc21)c1ccc(Cl)cc1 254857440 AEJXAJVIZYDPLO-UHFFFAOYSA-N 289.718 3.830 0 30 CHAC Cc1cc(Oc2cc(Cl)ncn2)ccc1Cl 37342101 KKGKRFIQYAAPCR-UHFFFAOYSA-N 255.104 3.884 0 30 CHAC CNCCC[C@]1(C)C(=O)N(c2ccccc2)c2ccccc21 2015642 HBGWAZBZXJBYQD-IBGZPJMESA-N 294.398 3.622 0 30 CHAC in-man Cc1cc(NC(=O)Nc2ccccc2)n(C(C)(C)C)n1 165171 QBICVFPVKWZQBZ-UHFFFAOYSA-N 272.352 3.591 0 30 CHAC CCc1ccc(OCc2ccccc2C(=O)OC)cc1 129604651 JHEFNRRAJYEUOJ-UHFFFAOYSA-N 270.328 3.615 0 30 CHAC CCCC[C@@H](CC)COC(=O)c1cc(N)c(C)c(N)c1 5139077 IUSWWMQKWNMRSQ-GFCCVEGCSA-N 278.396 3.533 0 30 CHAC O=C(O)c1nc(-c2ccccc2)oc1-c1ccccc1 19263464 YKZSHSBBYKLXNM-UHFFFAOYSA-N 265.268 3.707 0 30 CHAC Cc1nc(-c2cc(Cl)cc(Cl)c2)[nH]c(=O)c1Cl 13469341 KNMIRHDMJBATCQ-UHFFFAOYSA-N 289.549 3.706 0 30 CHAC O=[S@@](c1ccccc1)c1ccc(Br)cc1 31572829 ZTRXUNUYTUUDRR-OAHLLOKOSA-N 281.174 3.616 0 30 CHAC c1ccc(CSC2=NN[C@H](c3ccccn3)S2)cc1 127330 IQZPEFTWPLGMGB-ZDUSSCGKSA-N 287.413 3.621 0 30 CHAC C[C@H]([C@@H](O)c1ccc(-c2ccccc2)cc1)n1ccnc1 13209510 PVWFUCRYWYDOJS-RDTXWAMCSA-N 278.355 3.845 0 30 CHAC Cc1cc(Br)cc(C(=O)OC(C)(C)C)c1 135112146 AJPMJEFTUYRKTP-UHFFFAOYSA-N 271.154 3.713 0 30 CHAC CC(C)(Oc1ccc(C(=O)C2CCCCC2)cc1)C(=O)O 33824592 PNVGPUQJIOROST-UHFFFAOYSA-N 290.359 3.692 0 30 CHAC CC1(C)CC(=O)N(c2cc(Cl)ccc2Cl)C(=O)C1 2147668 HZXXKMFMPYEUIB-UHFFFAOYSA-N 286.158 3.673 0 30 CHAC Fc1ccc(-c2cn3cc(Br)sc3n2)cc1 39325781 CHVFUSYHQNEBHV-UHFFFAOYSA-N 297.152 3.964 0 30 CHAC c1cc(CNc2ccc(NCc3ccncc3)cc2)ccn1 230877464 RCPDWAMWBCXLSP-UHFFFAOYSA-N 290.370 3.701 0 30 CHAC CCOC(=O)[C@H]1[C@@H](CC(Cl)(Cl)Cl)C1(C)C 5857736 BFRKWUSVYDWEBX-RNFRBKRXSA-N 273.587 3.582 0 30 CHAC C[C@@H](C(=O)Nc1ccc(C(C)(C)C)cc1)N1CCCCC1 1038944 AHUOQGOMERVRLA-AWEZNQCLSA-N 288.435 3.797 0 30 CHAC CNc1nnc(SCc2ccc(Cl)cc2)s1 1045823 MXSOWZJSEXKTDN-UHFFFAOYSA-N 271.798 3.526 0 30 CHAC Cc1cccc(C2=N[C@H](CCN(C)C)Cc3ccccc32)c1 33885661 HBLVLCNGWBWPRJ-GOSISDBHSA-N 292.426 3.709 0 30 CHAC CC(=O)c1ccc(OCc2cc(F)cc(F)c2)cc1 110671 BDPBHUWGOVFRBY-UHFFFAOYSA-N 262.255 3.746 0 30 CHAC CSc1nccc(-c2ccc(Br)s2)n1 126389 OUIMCZHMLVNCIH-UHFFFAOYSA-N 287.207 3.690 0 30 CHAC CC1(c2cccc(Br)c2)CCC(=O)CC1 605702159 ZYIZWWYXVKPZDB-UHFFFAOYSA-N 267.166 3.850 0 30 CHAC Cc1ccsc1CNC(=O)Nc1ccc(F)cc1 147822 KUFABTJHCXDSFZ-UHFFFAOYSA-N 264.325 3.517 0 30 CHAC CC1(C)CC(=O)c2cc(Br)cc(Cl)c2O1 82163837 RLTCBQVTTCJCJV-UHFFFAOYSA-N 289.556 3.846 0 30 CHAC in-vitro CC[C@H](C)OC(=O)CC(C)(CC)CC(=O)O[C@@H](C)CC 32192810 NQBKJWNKHYLRNO-STQMWFEESA-N 286.412 3.866 0 30 CHAC COc1cc2nc(Cl)sc2cc1Br 585164103 DYSYDSNILSUNGB-UHFFFAOYSA-N 278.558 3.721 0 30 CHAC CC(=O)c1ccc(C(C)(C)C)cc1Br 38241190 XYVLYQOBKLEWKO-UHFFFAOYSA-N 255.155 3.949 0 30 CHAC Cc1c(C(=O)O)[nH]c2ccc(-c3ccccc3)cc12 82619442 GIJOTMILPIXYJC-UHFFFAOYSA-N 251.285 3.842 0 30 CHAC Cc1nc2ccc(NC(=O)OC(C)(C)C)cc2s1 83502239 HSTBRTQQJYILQS-UHFFFAOYSA-N 264.350 3.952 0 30 CHAC c1cc2c3c(cccc3c1)-c1nc3cnccc3nc1-2 96328259 XAHPDBRVGFHFQV-UHFFFAOYSA-N 255.280 3.825 0 30 CHAC Cc1cccc(NC(=S)Nc2c(C)cccc2C)n1 93895 CFNSINOELBWZSQ-UHFFFAOYSA-N 271.389 3.816 0 30 CHAC CC(C)(C)c1ccc(-n2ncc3c2CCCC3=O)cc1 66055091 BJWSFPLKUDVAMS-UHFFFAOYSA-N 268.360 3.689 0 30 CHAC C[Sn](C)(C)[C@@H]1C=Cc2ccccc21 195755607 GWWFMBNBRVZBPC-UHFFFAOYSA-N 278.971 3.674 0 30 CHAC CCCCc1nc(NC(=O)OC(C)(C)C)cs1 1535639704 YNGRHLYDZKSPEU-UHFFFAOYSA-N 256.371 3.833 0 30 CHAC FC(F)(F)Oc1ccc(Nc2cc(Cl)ncn2)cc1 33822037 XQKICFGZSQFAOB-UHFFFAOYSA-N 289.644 3.772 0 30 CHAC CC(=NO)c1cn(Cc2c(Cl)cccc2Cl)c(C)n1 254756608 WZHMSTSUBAKXGA-UHFFFAOYSA-N 298.173 3.745 0 30 CHAC C[C@@H]1C[C@H](CC(=O)[C@H]2CCCC2=O)CC(C)(C)C1 256083209 JIJOZOBTAJWEID-UPJWGTAASA-N 250.382 3.777 0 30 CHAC Clc1ccc(-c2cnc(Br)o2)cc1 258587136 RJXJFOULDXKGFA-UHFFFAOYSA-N 258.502 3.758 0 30 CHAC CC(C)(C)c1sc(C(=O)O)cc1Br 2385510 JRXXYAWUBZVUGE-UHFFFAOYSA-N 263.156 3.506 0 30 CHAC CO[C@@H](Cc1ccccc1)OC/C=C/c1ccccc1 5998139 DIBGDYHBYFMHED-INMULRNOSA-N 268.356 3.932 0 30 CHAC CCOc1cc(-c2ccc(F)cc2)cc(OCC)c1CO 607716796 DTOQXOCQZYAGCC-UHFFFAOYSA-N 290.334 3.782 0 30 CHAC O=C1CN=C(C2CCCCC2)c2cc(Cl)ccc2N1 31302544 PSLXVIRZPPLZRY-UHFFFAOYSA-N 276.767 3.662 0 30 CHAC CCOC(=O)[C@H](CC)C(=O)OC/C=C(\C)CCC=C(C)C 238790288 DOKVGEOXIJWTST-GOFCXVBSSA-N 296.407 3.812 0 30 CHAC Fc1cccc(CSc2ncc3ccccn23)c1 167750 IDOITDDONYVRMJ-UHFFFAOYSA-N 258.321 3.766 0 30 CHAC ClP(Cl)c1ccccc1Br 136876856 STMZGEUMJGFEPS-UHFFFAOYSA-N 257.882 3.864 0 30 CHAC Nc1ccccc1SCSc1ccccc1N 5162258 NBZBEJOKMAJWOQ-UHFFFAOYSA-N 262.403 3.693 0 30 CHAC CCCC[C@@]1(CC)C(=O)N(c2ccccc2)C(=O)N=C1O 1997533 ZGHDFVVXOYKDBZ-MRXNPFEDSA-N 288.347 3.696 0 30 CHAC O[C@@]1(c2ccccc2)[C@H]2CCC[C@H]1[C@H](N1CCCC1)CC2 604971344 QKKXOOSOMJVKND-OKYOBFRVSA-N 285.431 3.549 0 30 CHAC CN1N=C2c3ccccc3CC[C@@H]2[C@H]1c1ccc(F)cc1 1046149 AZAOLKIXRBAKQR-FUHWJXTLSA-N 280.346 3.779 0 30 CHAC Oc1ccc(C(c2ccc(O)cc2)c2ccccc2O)cc1 6095245 QCBIZOJTQQOZOV-UHFFFAOYSA-N 292.334 3.984 0 30 CHAC COc1cc(OC)c2c(c1)O[C@@](C)(c1ccccc1)CC2=O 21995766 IHKSGAUPQCCYFB-GOSISDBHSA-N 298.338 3.584 0 30 CHAC O=c1nc(-c2ccccc2)c(Cl)c(-c2ccccc2)[nH]1 32270975 COIBSBJHKOXDAM-UHFFFAOYSA-N 282.730 3.757 0 30 CHAC O=C(O)c1nc(-c2ccco2)sc1-c1ccccc1 84427693 PDAHFYHRAQTNLB-UHFFFAOYSA-N 271.297 3.768 0 30 CHAC FC(F)c1cc2c(cc1Br)CCCN2 1565505171 YSIQFNDARSIHNB-UHFFFAOYSA-N 262.097 3.745 0 30 CHAC CCN(CC)CCCOC(=O)Cc1cccc2ccccc12 1733777 OHHVOYGWFDRAHD-UHFFFAOYSA-N 299.414 3.657 0 30 CHAC Clc1ccc(-n2nnc3cc(Cl)ccc32)cc1 32234663 VCFIYRIZGWKKED-UHFFFAOYSA-N 264.115 3.727 0 30 CHAC CN(Cc1ccccc1)C[C@@H]1SC(=O)c2ccccc21 33877673 RVUHERNEVDWMBK-INIZCTEOSA-N 283.396 3.747 0 30 CHAC Cc1ccc2c(c1)CCN(C)CCc1ccccc1O2 38643188 GKYPSKJSFBIHKY-UHFFFAOYSA-N 267.372 3.818 0 30 CHAC FC(F)(F)[C@H]1CCc2cc(Br)ccc2N1 238561171 GHYIKNDMJIMNJZ-SECBINFHSA-N 280.087 3.738 0 30 CHAC in-vitro COc1cccc(C=C2C(=O)Nc3cccc(Cl)c32)c1 2265279506 ZEYHJPRBSJCHCC-UHFFFAOYSA-N 285.730 3.841 0 30 CHAC C[C@H](CCCC(C)(C)O)C[C@H](O)OCCc1ccccc1 33609206 LWPLJHROTQIHMD-NVXWUHKLSA-N 294.435 3.532 0 30 CHAC Cc1cc2ccc(Br)cc2c(Cl)n1 122286353 LUHCNYDJDGUOSE-UHFFFAOYSA-N 256.530 3.959 0 30 CHAC CCc1ccccc1-c1n[nH]c(-c2cccc(F)c2)n1 5956797 ANIGOOQXMDHYSN-UHFFFAOYSA-N 267.307 3.840 0 30 CHAC COc1cc(OC)c2c(c1)O[C@](C)(c1ccccc1)CC2=O 21995763 IHKSGAUPQCCYFB-SFHVURJKSA-N 298.338 3.584 0 30 CHAC CC1(C)[C@@H]2CC[C@]1(C)[C@@H](OCc1ccccc1)[C@@H]2OC=O 100082654 RLHWKPHEDMEOHF-XLMAVXFVSA-N 288.387 3.570 0 30 CHAC O=C(O)C1=C(Sc2ccc(Cl)cc2)CSC1 148949 UAPFOZRVAVYTQD-UHFFFAOYSA-N 272.778 3.518 0 30 CHAC Brc1cccc([C@H]2OCCCCS2)c1 39325884 MEBDFRNYMQMADD-NSHDSACASA-N 273.195 3.991 0 30 CHAC CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O 5955127 FBYZQDCRLYHHHP-ZOFHRBRSSA-N 288.431 3.879 0 30 CHAC in-man Cc1cc(Cl)c2nccc(Br)c2c1 32099858 QLDXUOIKZPAHRB-UHFFFAOYSA-N 256.530 3.959 0 30 CHAC CCN[C@H](C)Cc1cccc(SC(F)(F)F)c1 5853378 HNONSDNCRNUTCT-SECBINFHSA-N 263.328 3.839 0 30 CHAC in-man c1ccc([C@@H]2Nc3ccccc3[C@@H]2C2CCNCC2)cc1 4202601 XYKATSPCYLYIKN-OALUTQOASA-N 278.399 3.937 0 30 CHAC CC[C@H](CCCC[C@@H]1CC[C@H]2CC(=O)C[C@@H]21)OC 5651452 KDULJHFMZBRAHO-OCVGTWLNSA-N 252.398 3.977 0 30 CHAC in-man Cc1ccc(C)c2nc(Cl)c(/C=C/[N+](=O)[O-])cc12 32099816 ZPUWVSZHYKEFJC-AATRIKPKSA-N 262.696 3.752 0 30 CHAC O=C(O)[C@H](c1ccccc1-c1ccccc1)C1(O)CCCC1 223703299 PCQFKMOZFOCHPH-KRWDZBQOSA-N 296.366 3.827 0 30 CHAC CC(C)(C)OC(=O)N1CCC2(CC[C@@H](CF)C2)CC1 396158555 KPSAYZHOHXCGTH-GFCCVEGCSA-N 271.376 3.773 0 30 CHAC O=C(ON=CC1=C(Cl)c2ccccc2CC1)C1CC1 254761913 XXOJCOVXFUCXRD-UHFFFAOYSA-N 275.735 3.522 0 30 CHAC FC(F)(F)c1ccccc1-c1nsc(Cl)n1 71787771 OSBYGUMKNFFPMR-UHFFFAOYSA-N 264.659 3.877 0 30 CHAC CC1(C)CN=C(Nc2cccc(C(F)(F)F)c2)S1 135022 NICNMRAINRVNPL-UHFFFAOYSA-N 274.311 3.999 0 30 CHAC C[C@@H]1CCCCN1CCCOC(=O)CC1CCCCC1 1998332 TUUUNXKJLMHVRJ-OAHLLOKOSA-N 281.440 3.765 0 30 CHAC COc1cc(O)cc(-c2cc3c(O)cccc3o2)c1 13340660 LNYJPSJEXBTRPO-UHFFFAOYSA-N 256.257 3.520 0 30 CHAC biogenic,in-vitro O=C1Nc2ccc(-c3cccnc3)cc2/C1=C\c1ccc[nH]1 35052139 IQNTXIMXKCURDC-MHWRWJLKSA-N 287.322 3.569 0 30 CHAC CC[C@H](C)c1cn2cccc(Br)c2n1 228025442 XIGAQFIAZHFUOT-QMMMGPOBSA-N 253.143 3.610 0 30 CHAC CN1N=C2c3ccccc3CC[C@@H]2[C@H]1c1cccs1 248013310 FOUYPIAYLKDGBC-BBRMVZONSA-N 268.385 3.701 0 30 CHAC CC1=CC[C@H](C(C)(C)OC(=O)c2ccccc2N)CC1 1850645 UHUIKPAIJHOKNF-ZDUSSCGKSA-N 273.376 3.951 0 30 CHAC endogenous,in-man Cc1nccc(-c2sc(-c3cccs3)nc2C)n1 121327 XNBZHZUOHMKIBH-UHFFFAOYSA-N 273.386 3.945 0 30 CHAC CSc1cccc(N2C(=O)CC3(CCCC3)CC2=O)c1 4371723 YHNGFEBTNQSHCR-UHFFFAOYSA-N 289.400 3.622 0 30 CHAC O=C(OCc1ccccc1)N1C2CCCC1CCC2 707235870 VDABMMGNMSRJDF-UHFFFAOYSA-N 259.349 3.730 0 30 CHAC Cc1ccc2c(Br)ccnc2c1Cl 238514109 OBNTTXAFANYYAF-UHFFFAOYSA-N 256.530 3.959 0 30 CHAC C[C@H](C(=O)Nc1ccc(C(C)(C)C)cc1)N1CCCCC1 1038945 AHUOQGOMERVRLA-CQSZACIVSA-N 288.435 3.797 0 30 CHAC c1ccc(CSc2ccccc2Cn2cncn2)cc1 95218330 SWMFERLRKGHXGL-UHFFFAOYSA-N 281.384 3.619 0 30 CHAC in-vitro Cn1c(Cl)c(C=NOC(=O)C(C)(C)C)c2ccccc21 254790090 DIZJQGMLZSNNDB-UHFFFAOYSA-N 292.766 3.755 0 30 CHAC CCOC(=O)c1cccc(CN[C@@H](C)c2ccccc2)c1 1772820819 WSENINPUHODZMO-AWEZNQCLSA-N 283.371 3.714 0 30 CHAC Oc1cccc2c1C13c4c(O)cccc4C[C@@H]1CCC[C@H]3C2 1776031840 ILPOMLPUHOSAMW-HGUAOMBGSA-N 292.378 3.912 0 30 CHAC CC(C)(C)c1nc(-c2ccc(-c3ccno3)s2)no1 12368977 WTVKCWOCPVLLAK-UHFFFAOYSA-N 275.333 3.751 0 30 CHAC CC1(C)CC(C)(C)N2OC(=S)N(c3ccccc3)[C@@H]21 32217617 NZPYYEQFTWEQEI-LBPRGKRZSA-N 276.405 3.560 0 30 CHAC O=[N+]([O-])/C=C/c1cc2cc(Cl)ccc2nc1Cl 32099811 WDBDGRDWWSBWSR-ONEGZZNKSA-N 269.087 3.789 0 30 CHAC Cc1ccc(NC(=O)c2cc(Cl)ccc2N)cc1C 4323569 RYELDJAMHIISJU-UHFFFAOYSA-N 274.751 3.791 0 30 CHAC CCCSc1c(Cl)c(Cl)nc(NN)c1Cl 5837329 PHWBAMXWUKSDDP-UHFFFAOYSA-N 286.615 3.830 0 30 CHAC CC(C)c1ccc(-c2csc3nc(C(=O)O)cn23)cc1 3749015 FPYXYYOHQHTCPT-UHFFFAOYSA-N 286.356 3.884 0 30 CHAC CSc1ccc(NC(=O)NCc2ccccc2)cc1 170878 KJFOLCSJVATYCS-UHFFFAOYSA-N 272.373 3.730 0 30 CHAC CNc1ccccc1C(=O)N[C@H]1C[C@@H](C)CC(C)(C)C1 4306903 ICJCYXSBCJCKBU-OLZOCXBDSA-N 274.408 3.673 0 30 CHAC CC(C)CCC[C@H](C)CCOC(=O)C(F)(F)F 139101941 QBDOCEIJXBWDMD-JTQLQIEISA-N 254.292 3.944 0 30 CHAC O=C(Nc1ccccc1)c1ncoc1-c1ccccc1 107206 QZHYXBRLJHISAC-UHFFFAOYSA-N 264.284 3.594 0 30 CHAC CCCCOC(=O)CCCCCCCCC(=O)O 34002974 KNGHQUFQZLYRKP-UHFFFAOYSA-N 258.358 3.535 0 30 CHAC Cc1ccc(Br)cc1-c1nnc(Cl)s1 83689391 FIZSJOFHRSVTPE-UHFFFAOYSA-N 289.585 3.929 0 30 CHAC in-vitro CCSc1ncc(C=Nc2ccc(Cl)cc2)n1C 254441724 XXPTWXIFSNMRMU-UHFFFAOYSA-N 279.796 3.936 0 30 CHAC Cc1csc2ccc3[nH]c4c(c3c12)CN(C)CC4 770 GMIILPOVBUNJBY-UHFFFAOYSA-N 256.374 3.679 0 30 CHAC in-man O=C(Nc1ccc(Cl)cc1)[C@H](O)c1ccccc1Cl 86327 ZLONRWWJTXIJLX-CYBMUJFWSA-N 296.153 3.666 0 30 CHAC Cc1onc(-c2ccc(Cl)cc2)c1-c1ccn[nH]1 13656732 XHCYGHSYBRUUGN-UHFFFAOYSA-N 259.696 3.694 0 30 CHAC COCCCC[C@H](N)c1ccc(C(F)(F)F)cc1 306096056 MOBUMRDDSCWPRD-LBPRGKRZSA-N 261.287 3.522 0 30 CHAC CC1(C)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 1593549 ZBNJFYQJKLRIAA-INIZCTEOSA-N 265.356 3.796 0 30 CHAC CC[C@H](C(=O)O)c1ccc(Br)c(Cl)c1F 233977250 LEQKKDZUIZUENE-YFKPBYRVSA-N 295.535 3.820 0 30 CHAC O=C(O)C(F)(F)c1ccc(Cl)cc1C(F)(F)F 607710836 SREIVRKDGUHYLF-UHFFFAOYSA-N 274.572 3.535 0 30 CHAC COc1ccc(NC(=O)N2CCCc3cccc(C)c32)cc1 156348 NZVGTXLLBDEUSR-UHFFFAOYSA-N 296.370 3.988 0 30 CHAC S=C1CCc2ccccc2N1Cc1ccccc1 4307177 FZCIHEWMYXONDK-UHFFFAOYSA-N 253.370 3.967 0 30 CHAC Clc1cccc(-c2nc3ccnc(Cl)c3[nH]2)c1 6092400 ZSZLOPDLODSHDO-UHFFFAOYSA-N 264.115 3.932 0 30 CHAC NC(=O)c1cc2c(s1)-c1cc(Cl)ccc1SC2 107720 RNXSCPPGHZOXFA-UHFFFAOYSA-N 281.789 3.773 0 30 CHAC CNc1ccccc1C(=O)N[C@@H]1C[C@@H](C)CC(C)(C)C1 4306906 ICJCYXSBCJCKBU-CHWSQXEVSA-N 274.408 3.673 0 30 CHAC COc1ccc2[nH]c(C)c(-c3ccccc3O)c2c1 238791010 FPJCGFBQGKVFEN-UHFFFAOYSA-N 253.301 3.858 0 30 CHAC O=C1C[C@@H](c2ccccc2Br)C12CCC2 700921449 JSSAFGLJHACWOO-JTQLQIEISA-N 265.150 3.676 0 30 CHAC Cc1cccc(C(=O)C2=NNC[C@H]2c2ccc(Cl)cc2)c1 161738 YERBIDCJTKFQRE-HNNXBMFYSA-N 298.773 3.574 0 30 CHAC BrC1=C(Br)CCCCC1 136786260 COBMNVSOXAUECU-UHFFFAOYSA-N 253.965 3.952 0 30 CHAC FC(F)(F)c1ccc(Br)c(C(F)(F)F)n1 396126786 NIYUWKCBQYYZRP-UHFFFAOYSA-N 293.992 3.882 0 30 CHAC Fc1cc(Br)cc2c1cnn2[C@H]1CCCCO1 1083812855 HXJZYTLSTVBJDO-GFCCVEGCSA-N 299.143 3.637 0 30 CHAC O=S(=O)(CC=Cc1ccccc1)c1ccc(Cl)cc1 2265276243 KXRCZEHMKMWSAR-UHFFFAOYSA-N 292.787 3.827 0 30 CHAC O=C(O)C[C@H]1C[C@H](c2ccccc2)c2ccccc21 33866320 SPMZTVMUKNTXEW-CZUORRHYSA-N 252.313 3.781 0 30 CHAC O=c1[nH]c2ccc(Cl)cc2cc1-c1ccccc1 32099754 HUNMSLDDIPSBDA-UHFFFAOYSA-N 255.704 3.849 0 30 CHAC CC(C)C[C@](C)(N)c1cccc(Br)c1 37380141 XBGDYHXTNOZGNS-LBPRGKRZSA-N 256.187 3.669 0 30 CHAC in-vitro Oc1ccc(Nc2ccc(Br)cc2)cc1 147997730 ANAXMAAQQFURGM-UHFFFAOYSA-N 264.122 3.898 0 30 CHAC O=[S@](c1ccc(SC(F)(F)F)cc1)C(F)(F)F 203023073 OAAPCOWISYGSIR-QGZVFWFLSA-N 294.241 3.926 0 30 CHAC CN(C)c1c(Br)ccc2ccccc12 725268734 IRIJGTVHEZETFU-UHFFFAOYSA-N 250.139 3.668 0 30 CHAC COc1ccccc1-c1cccc(Br)c1O 8699861 FOUMGJJWRASTQU-UHFFFAOYSA-N 279.133 3.830 0 30 CHAC Oc1ccc(Nc2ccc(O)c3ccccc23)cc1 33606089 JHZVBYOUVQPKER-UHFFFAOYSA-N 251.285 3.995 0 30 CHAC CCOC(=O)N1CCC[C@@H]1c1cccc(Br)c1 70263814 DFVODUBHJPCXQT-GFCCVEGCSA-N 298.180 3.743 0 30 CHAC CC(C)(C)OC(=O)Nc1cccc2c(N)cccc12 135826658 UMURLARVJNWZAK-UHFFFAOYSA-N 258.321 3.769 0 30 CHAC FC(F)(F)c1nc2c(Cl)c(Cl)ccc2[nH]1 2038607 KSROTSBULDYPKA-UHFFFAOYSA-N 255.026 3.889 0 30 CHAC Cc1cc2c(NC(=O)Nc3ccc(F)cc3)cccc2nn1 156471 ABIRKUQKFCDROG-UHFFFAOYSA-N 296.305 3.721 0 30 CHAC FC(F)(F)C1(c2ccc(Br)cn2)CCC1 2265384901 FPGIXUNCOZSKKA-UHFFFAOYSA-N 280.087 3.828 0 30 CHAC C[C@@H]1C[C@]2(C)[C@H](O)CC[C@@H]2[C@@H]2CCc3cc(O)ccc3[C@H]21 252428433 DMSFWIJHZMGIJI-UQJWMFICSA-N 286.415 3.855 0 30 CHAC O=C(CCC(=O)OC1CCCCC1)OC1CCCCC1 1599313 WWQSMJYMCWMODI-UHFFFAOYSA-N 282.380 3.518 0 30 CHAC CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1NC(=O)c1cccs1 13464298 CNTWOTIESFUYFU-VZJVUDMVSA-N 263.406 3.693 0 30 CHAC CC(=O)O[C@]1(CC(C)C)C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 256082999 FPPRJKWGULBYSC-DGXTUMSLSA-N 250.382 3.791 0 30 CHAC COc1ccc(Br)cc1C(=O)c1ccccc1 34977061 ADGOJIXMUSHYQT-UHFFFAOYSA-N 291.144 3.689 0 30 CHAC CC(C)OC(=O)C(C)(C)CCOCc1ccccc1 238854084 MRQKCIQPYZPPFA-UHFFFAOYSA-N 264.365 3.571 0 30 CHAC CCc1ccc([C@H](C)NCc2nc(C)c(C)o2)cc1 38012756 DBVBSLDCXYWWGI-LBPRGKRZSA-N 258.365 3.705 0 30 CHAC Brc1cnc2ccc(-c3ccccc3)cn12 76914381 IVHUNVANKKDGSA-UHFFFAOYSA-N 273.133 3.764 0 30 CHAC O=C1NC(=O)C(=Cc2ccccc2Oc2ccccc2)S1 2265276877 HJDHEMGPYLPENJ-UHFFFAOYSA-N 297.335 3.803 0 30 CHAC O=C1Nc2cccc(Cl)c2C1=Cc1ccccc1 2265279416 WSCNOXXKBHPAGL-UHFFFAOYSA-N 255.704 3.833 0 30 CHAC Cc1ccc(S[C@@H]2CS(=O)(=O)c3ccccc32)cc1 169913 XWUOYESNRMXHAH-CQSZACIVSA-N 290.409 3.616 0 30 CHAC Clc1ccc(-c2nc3ccnc(Cl)c3[nH]2)cc1 6093412 JBPIQJRKYBMLIC-UHFFFAOYSA-N 264.115 3.932 0 30 CHAC Cn1ccc(-c2cccc(NC(=O)Nc3ccccc3)c2)n1 125254 JESFUBYEPPFHBK-UHFFFAOYSA-N 292.342 3.731 0 30 CHAC Cn1c(S)nnc1SCc1ccc(C(C)(C)C)cc1 131859 VKOWVHMYIHDYJD-UHFFFAOYSA-N 293.461 3.694 0 30 CHAC CC(C)CNC(C)(C)C[C@H](C)NC1CCCCC1 5759276 ZYRAUVPYOBILQC-AWEZNQCLSA-N 254.462 3.712 0 30 CHAC C[C@H]1CCC[C@@H](C)N1CCCNc1n[nH]c2ccccc12 33877842 WGOFCCGLYQIQSC-OKILXGFUSA-N 286.423 3.628 0 30 CHAC CCCCN(CCCC)c1nc(C)cc(Cl)n1 34155826 WXUTUXQIZCCXMK-UHFFFAOYSA-N 255.793 3.845 0 30 CHAC O=C(C=Cc1ccccc1)OCc1cnc(Cl)s1 2265239489 PRJXJIYQIVUYQR-UHFFFAOYSA-N 279.748 3.553 0 30 CHAC Cc1ccc(S(=O)(=O)CCSc2ccccc2)cc1 165292 RTSRWKKZGOXSNC-UHFFFAOYSA-N 292.425 3.561 0 30 CHAC CCCCCOC(=O)COc1ccc(Cl)cc1C 33607681 FEZMLSWZCMPMQE-UHFFFAOYSA-N 270.756 3.761 0 30 CHAC CC(=O)Nc1ccc(OC(=O)c2cccc(Cl)c2)cc1 164912 GNFFVJKYJCLBFN-UHFFFAOYSA-N 289.718 3.518 0 30 CHAC O=[N+]([O-])c1ccc(C=NNc2cccc3cccnc23)cc1 17206792 LTOSHEJAPUITAN-UHFFFAOYSA-N 292.298 3.589 0 30 CHAC O=[S@](c1ccccc1)c1ccc(Br)cc1 31572833 ZTRXUNUYTUUDRR-HNNXBMFYSA-N 281.174 3.616 0 30 CHAC CCCCCC[C@]12OC[C@H](Cn3c1nc1ccccc13)O2 33872824 XNGRXGBEOFHBQA-SUMWQHHRSA-N 286.375 3.589 0 30 CHAC Cc1cc(I)ccc1C(C)(C)C 201264233 FEZBMNHVWRZLDZ-UHFFFAOYSA-N 274.145 3.897 0 30 CHAC CN(C)CCOC(C)(c1ccccc1)c1ccccc1 1753 BBIMHFSPNXQFAH-UHFFFAOYSA-N 269.388 3.528 0 30 CHAC in-man Nc1cnc(Sc2ccccc2)c(C(F)(F)F)c1 78408 POOMKIRBZCTBNH-UHFFFAOYSA-N 270.279 3.834 0 30 CHAC Cc1c(C(=O)O)c2ccccc2n1[C@H](C)C1CCOCC1 504725817 ILRAKBZRJZSUEZ-LLVKDONJSA-N 287.359 3.636 0 30 CHAC Fc1ccccc1-c1nnc2n1-c1ccccc1SC2 160427 TWOGDIBPGFELNI-UHFFFAOYSA-N 283.331 3.679 0 30 CHAC Cc1cc(C)c(O)c(-c2ccnn2-c2ccccc2)c1 2574010 SGRGAEFILJFORS-UHFFFAOYSA-N 264.328 3.862 0 30 CHAC Nc1ccccc1NC(=O)c1ccccc1C(F)(F)F 21968620 KTXFXTHTBKFMJX-UHFFFAOYSA-N 280.249 3.540 0 30 CHAC Clc1ccc(-c2ncc(Br)cn2)cc1 39121262 KXPSCRRPUXNJND-UHFFFAOYSA-N 269.529 3.560 0 30 CHAC FC(F)Oc1ccc(OC(F)F)c(Br)c1 39711858 WBGSQJVTOARKSH-UHFFFAOYSA-N 289.022 3.652 0 30 CHAC C[Si](C)(NC1CCCCC1)NC1CCCCC1 195766248 PLUXWTRVVOADTC-UHFFFAOYSA-N 254.494 3.533 0 30 CHAC CSc1ccccc1NC(=O)NCc1ccccc1F 171085 WOBKWYUKKIPUGF-UHFFFAOYSA-N 290.363 3.869 0 30 CHAC Cc1cc(Nc2ccccc2C(=O)O)n(-c2ccccc2)n1 4336063 BEBPGMIPMSDXPR-UHFFFAOYSA-N 293.326 3.623 0 30 CHAC Cc1cccc(CS(=O)(=O)c2ccc(Cl)cc2)c1F 139098 NLYMFNIJWHZOLM-UHFFFAOYSA-N 298.766 3.761 0 30 CHAC O=C(O)c1ccc2[nH]nc(-c3cccc(Cl)c3)c2c1 19772427 PGYMRMCRQVOTDF-UHFFFAOYSA-N 272.691 3.582 0 30 CHAC Cc1cc(Br)c(Br)s1 34376478 JPGQPXUPQMBWRW-UHFFFAOYSA-N 255.962 3.582 0 30 CHAC CCCCOC(=O)CCCCC(=O)OCc1ccccc1 2038070 VRFMFQHSDWKYDM-UHFFFAOYSA-N 292.375 3.634 0 30 CHAC NCc1csc(-c2ccc(OCc3ccccc3)cc2)n1 40999794 FYGNJYLXDRROPN-UHFFFAOYSA-N 296.395 3.848 0 30 CHAC COc1ccc(/C=C/C(=O)OC2CCCCC2)cc1 28313 FGEUKKGODAGXOD-FMIVXFBMSA-N 260.333 3.584 0 30 CHAC CCN(CC)Cc1c(C)nc2cc(Cl)ccc2c1O 1873907 BCYMLTXIGVVRPV-UHFFFAOYSA-N 278.783 3.744 0 30 CHAC CCSc1csc(NC(=O)OC(C)(C)C)n1 39123765 RXHGRWWYDHPVRG-UHFFFAOYSA-N 260.384 3.602 0 30 CHAC CCn1nc(C)cc1-c1nnc(-c2ccccc2Cl)o1 121439 FRXTVILBYXSFGV-UHFFFAOYSA-N 288.738 3.582 0 30 CHAC N[C@@H](CC(F)(F)F)c1cccc(C(F)(F)F)c1 19968764 RMRLJURMVRQWOM-QMMMGPOBSA-N 257.177 3.658 0 30 CHAC in-vitro CN[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 82718600 YYTUSUNHSLVBTO-QMMMGPOBSA-N 257.177 3.528 0 30 CHAC in-vitro CCOC(=O)CSC(=S)Nc1c(C)cc(C)cc1C 3131784 WKLNISBMWXDGOV-UHFFFAOYSA-N 297.445 3.605 0 30 CHAC CC[C@H](C)Cn1c(S)nnc1-c1ccc(C)cc1 149520950 LKMRJAFISYXEBC-JTQLQIEISA-N 261.394 3.588 0 30 CHAC CCC(=O)C(CC)(c1ccc(O)cc1)c1ccc(O)cc1 1600930 VXQMNZNWFJLHAO-UHFFFAOYSA-N 284.355 3.773 0 30 CHAC Nc1ccccc1[C@](O)(Cc1ccccc1)c1ccccc1 1048032 LUPBXHUCHLZODP-FQEVSTJZSA-N 289.378 3.747 0 30 CHAC CCN(CC)c1cccc(NC(=O)COc2ccccc2)c1 59741190 LXPXINATXLYPHW-UHFFFAOYSA-N 298.386 3.550 0 30 CHAC CCCC[C@H](CC)COC(=O)c1cc(N)c(C)c(N)c1 5139104 IUSWWMQKWNMRSQ-LBPRGKRZSA-N 278.396 3.533 0 30 CHAC COc1cccc(NC(=S)Nc2cc(C)cc(C)n2)c1 13659077 MCCHZJVDMBZCMR-UHFFFAOYSA-N 287.388 3.516 0 30 CHAC CC[n+]1c(/C=C/C=C/C=C/N(C)C)sc2ccccc21 39440317 ZYQSQXUEMZEATL-UHFFFAOYSA-N 285.436 3.853 0 30 CHAC COc1cccc(C2(C)CN(CCc3ccccc3)C2)c1 2016496 GQXZANDAUPMCPH-UHFFFAOYSA-N 281.399 3.511 0 30 CHAC CCc1cccc(OC)c1NC(=O)OC(C)(C)C 39953855 NRHDXCRMFGMRLH-UHFFFAOYSA-N 251.326 3.605 0 30 CHAC FC(F)(F)c1sc(Cl)nc1Br 584647962 LVGAGBFVUWZSGN-UHFFFAOYSA-N 266.469 3.578 0 30 CHAC C=C[C@@](C)(O)CCC[C@@H](C)C(=O)c1cc(C)co1 14828466 DWEPRCMDTVMHSV-IUODEOHRSA-N 250.338 3.514 0 30 CHAC Cc1cc(C)c2cc(C(=O)NCCc3ccccc3)[nH]c2c1 171582 PEWVIFYXRWGTFC-UHFFFAOYSA-N 292.382 3.757 0 30 CHAC CC(C)(C)C[C@H](O)/C=C/c1ccc2c(c1Cl)OCO2 1855016 IARNWHAWGIVNKL-DUMNWFOQSA-N 282.767 3.879 0 30 CHAC CC(C)(C)OC(=O)NCc1ccsc1Br 12370567 RFNWODFBZMWIEH-UHFFFAOYSA-N 292.198 3.535 0 30 CHAC COc1ccc(C(=O)c2ccc(Cl)cc2)cc1C 11631614 MQUNHTMSLSWKSA-UHFFFAOYSA-N 260.720 3.888 0 30 CHAC CC(=O)n1ccc2cc(Br)cc(Cl)c21 42689406 YWWFHTIPZJKUAY-UHFFFAOYSA-N 272.529 3.717 0 30 CHAC in-vitro N[C@@H](Cc1cccnc1)c1ccc(Cl)c(Cl)c1 53147405 MNSBSXBFVRGVGG-ZDUSSCGKSA-N 267.159 3.631 0 30 CHAC C[C@H](O)c1ccc(Br)cc1C(F)(F)F 54270110 QQQXLJXORGOBRT-YFKPBYRVSA-N 269.060 3.521 0 30 CHAC CN(C)c1cc(-c2cccc(Cl)c2)oc(=O)c1Cl 142443 RZPMLYKIKDEICI-UHFFFAOYSA-N 284.142 3.680 0 30 CHAC Cc1noc(C)c1NC(=O)Nc1cccc(-n2cccc2)c1 1034926 YSZNIGGTTHEWRC-UHFFFAOYSA-N 296.330 3.726 0 30 CHAC O=C(SC1=NCCc2ccccc21)c1ccccc1 172360 ARJKLASZIZLRBB-UHFFFAOYSA-N 267.353 3.563 0 30 CHAC CCCc1ccc(N2C(=O)[C@H]3C[C@@H](C)CC[C@H]3C2=O)cc1 100394018 LJLUHCWJHIETCP-MAZHCROVSA-N 285.387 3.565 0 30 CHAC CC1=Nc2ccccc2C[C@H](c2ccccc2)N1C 1854320 STDYWHYUOSSCBO-QGZVFWFLSA-N 250.345 3.966 0 30 CHAC in-man CC[C@@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@H]2O 5924217 FBYZQDCRLYHHHP-SWAOIJHYSA-N 288.431 3.879 0 30 CHAC CCOC(Cc1ccc(C(C)(C)C)cc1)OCC 43502749 KQFSLJGXIDKVOF-UHFFFAOYSA-N 250.382 3.926 0 30 CHAC in-vitro CC1=C(C)[C@@H](Sc2ccc(Cl)cc2)OC1=O 205744639 AXBDVXGHDVZSOK-GFCCVEGCSA-N 254.738 3.651 0 30 CHAC O=c1[nH]nc(-c2cccs2)cc1CC1CCCCC1 11329207 KOEDTZOPEJRZES-UHFFFAOYSA-N 274.389 3.621 0 30 CHAC CN1N=C2c3ccccc3CC[C@@H]2[C@@H]1c1ccc(F)cc1 13468637 AZAOLKIXRBAKQR-WMZOPIPTSA-N 280.346 3.779 0 30 CHAC Cc1nn(-c2c(Cl)cccc2Cl)c(C)c1C=O 213388803 QAJZRBLWJRBYBV-UHFFFAOYSA-N 269.131 3.608 0 30 CHAC C[C@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@H](N)CC[C@@]43C)[C@@H]1CC[C@H]2O 2265351992 WMEBIWWUBWHAOJ-DZDVTFLLSA-N 291.479 3.717 0 30 CHAC COC(=O)CCCCCCCCCCCCC(=O)O 4789666 HUWSPEBQZBPAJX-UHFFFAOYSA-N 272.385 3.925 0 30 CHAC COC(=O)[C@H](C)[C@H]1CCc2c([nH]c3ccc(Cl)cc23)C1 514277785 JKYDVVPZEAJPIC-ZJUUUORDSA-N 291.778 3.735 0 30 CHAC CO[C@@H]1CCC[C@H]([C@]2(C)[C@H]3CC[C@@H](C3)C2(C)C)[C@@H]1O 256090778 RGGISOXPWGFYBO-KNJYOJCESA-N 266.425 3.625 0 30 CHAC COc1ccc(-c2cc3c(=O)oc4ccccc4c3[nH]2)cc1 70289 RHVRPDILLVHUIF-UHFFFAOYSA-N 291.306 3.950 0 30 CHAC N[C@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 19433749 KKKNZIQXBOFPBU-ZDUSSCGKSA-N 269.241 3.893 0 30 CHAC in-vitro CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1c1cc(Cl)ccc1O 321883004 QMPBYDRSMUOKHS-GXSJLCMTSA-N 297.782 3.674 0 30 CHAC CCOC(=O)c1oc2c(Br)cccc2c1C 95348066 GNEPOEVUMOGYDJ-UHFFFAOYSA-N 283.121 3.680 0 30 CHAC CC(=O)N1N=C2c3ccccc3CC[C@@H]2[C@@H]1c1cccs1 159447 VFMHBYYFZDIOHQ-WMLDXEAASA-N 296.395 3.618 0 30 CHAC O=C(Nc1cccc(O)c1)c1cc2ccccc2cc1O 2379417 ZLPDIQADHBAPKL-UHFFFAOYSA-N 279.295 3.503 0 30 CHAC Clc1cccc(C=NNc2ncnc3ccccc23)c1 13142507 NMIGSHVBGMMIAN-UHFFFAOYSA-N 282.734 3.729 0 30 CHAC Cc1cc(SCc2ncon2)c(C)cc1Cl 105861 WODMJJXWWQENGV-UHFFFAOYSA-N 254.742 3.632 0 30 CHAC CC[C@H](C)OC(=O)COc1ccc(Cl)cc1Cl 1851042 PVVPYVMHXYPBQZ-QMMMGPOBSA-N 277.147 3.714 0 30 CHAC Cc1cccc(C(=O)C2=NNC[C@@H]2c2ccc(Cl)cc2)c1 4343145 YERBIDCJTKFQRE-OAHLLOKOSA-N 298.773 3.574 0 30 CHAC Brc1cnc2c(c1)NC1(CCCCCC1)N2 39711848 LVKNGCKCMQRCTD-UHFFFAOYSA-N 282.185 3.732 0 30 CHAC Cc1c(C(=O)O)oc2c(C)cc(Br)cc12 63061380 JZTWFOQTAXLQBH-UHFFFAOYSA-N 269.094 3.510 0 30 CHAC in-vitro Cc1cc2cc(Br)ccc2c(Cl)n1 125297203 WEWNGVFNLLWKAX-UHFFFAOYSA-N 256.530 3.959 0 30 CHAC Cc1ccc(SCCS(=O)(=O)c2ccccc2)cc1 165262 RQKGHVOAQHAONN-UHFFFAOYSA-N 292.425 3.561 0 30 CHAC CCOC(=O)c1c[nH]cc1-c1c(C)cc(C)cc1C 96330841 GJZGZPSHCWLHKK-UHFFFAOYSA-N 257.333 3.784 0 30 CHAC CC(C)(C)OC(=O)Nc1ccc2c(C=O)cccc2c1 198499000 NCUHELDNTPDJQW-UHFFFAOYSA-N 271.316 3.999 0 30 CHAC COc1c(C)c(O)cc2c1CC[C@H](c1ccccc1)O2 13334920 PZRKAAPKQGONFG-OAHLLOKOSA-N 270.328 3.776 0 30 CHAC biogenic Cc1cccc(C2=N/C(=C/c3ccc(Cl)cc3)C(=O)O2)c1 70836 DLFOGYZCJRVFDL-XNTDXEJSSA-N 297.741 3.993 0 30 CHAC Clc1cc(Cl)c2c(Br)n[nH]c2c1 14984025 FOYLMQHCXFXOBJ-UHFFFAOYSA-N 265.925 3.632 0 30 CHAC C[C@]1(O)CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@@H]4[C@@H]3CC[C@@]21C 44964008 NLOZVXGMIXPBOU-GDWHUGQFSA-N 290.447 3.671 0 30 CHAC FC(F)c1nc2cc(Br)ccc2s1 218517563 LYZKSORHKIPRBH-UHFFFAOYSA-N 264.094 3.996 0 30 CHAC ClC1(Cl)C[C@H]1c1csc(Br)n1 2265385081 WXSMMXKMBCWKOD-VKHMYHEASA-N 272.982 3.567 0 30 CHAC CC(=O)Nc1ccc(NC(=O)Nc2cc(C)cc(C)c2)cc1 155570 RGDALDOPBMLMFO-UHFFFAOYSA-N 297.358 3.906 0 30 CHAC O=C(O)c1ccccc1Nc1ccccc1Br 32206402 KPCDVSVFXNGOGR-UHFFFAOYSA-N 292.132 3.891 0 30 CHAC CC12CC(C(=O)O)(C1)[C@H](c1ccc(Cl)c(Cl)c1)O2 2265385789 UQXJDWOGSIVMFF-PKSQDBQZSA-N 287.142 3.688 0 30 CHAC COc1ccc2c(c1)CC[C@H]1C(C)(C)[C@@H](O)CC[C@@]21C 137378081 HWMORDFFCIGMFG-BQFCYCMXSA-N 274.404 3.696 0 30 CHAC Cc1cc2nc(C)c(CC=Cc3ccccc3)c(C)n2n1 2265279164 VJBWCILRLRCNNW-UHFFFAOYSA-N 277.371 3.910 0 30 CHAC CCC[C@@H](OC(=O)C(C)C)[C@H](CC)COC(=O)C(C)C 139186980 VQMFIHQBOYTCJD-ZIAGYGMSSA-N 286.412 3.580 0 30 CHAC Clc1ccc(-c2nnnn2-c2ccc(Cl)cc2)cc1 91608 XDMHHZRYVMGDEV-UHFFFAOYSA-N 291.141 3.636 0 30 CHAC CC(C)CCSc1ccc([C@H](O)Cn2ccnc2)cc1 5114406 WWVRWOZCPAHXBK-MRXNPFEDSA-N 290.432 3.755 0 30 CHAC Cc1c(Br)nc2ccccc2c1Cl 219502512 NZNLLCRUOLESLT-UHFFFAOYSA-N 256.530 3.959 0 30 CHAC O=C(NC=Cc1ccccc1)OCc1ccccc1 2265233849 AECSLLNPNDUEAV-UHFFFAOYSA-N 253.301 3.584 0 30 CHAC CC(=O)Nc1ccc(C=Cc2nc3ccccc3o2)cc1 2265239486 MODPAIGKYOSDMX-UHFFFAOYSA-N 278.311 3.957 0 30 CHAC c1ccc(Nc2nc(CN3CCCCC3)cs2)cc1 81338 CPHPIPSBPUVZOG-UHFFFAOYSA-N 273.405 3.873 0 30 CHAC Nc1nc([C@@H]2CCC[C@H](C(F)(F)F)C2)cs1 96378697 WGCRIVRYJBMPGZ-RQJHMYQMSA-N 250.289 3.561 0 30 CHAC CC[C@H]1CC[C@H](C(=O)Oc2ccc(F)cc2)CC1 248180292 YCODTMZSONXRIF-HAQNSBGRSA-N 250.313 3.948 0 30 CHAC C[C@H]1CCC[C@H](C)N1CCCNc1n[nH]c2ccccc12 33877843 WGOFCCGLYQIQSC-KBPBESRZSA-N 286.423 3.628 0 30 CHAC CN[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 82718601 YYTUSUNHSLVBTO-MRVPVSSYSA-N 257.177 3.528 0 30 CHAC in-vitro CSc1cc(Br)cc(F)c1Cl 575675695 MRPAAHBCUFDUMF-UHFFFAOYSA-N 255.539 3.964 0 30 CHAC O=C(C=Cc1cnc2ccccc2c1)NCc1ccccc1 2265233839 XEGSAQNJWJLSLX-UHFFFAOYSA-N 288.350 3.564 0 30 CHAC c1ccc(CSc2nccc(-c3cccnc3)n2)cc1 172392 NOZRCUKFDFICMG-UHFFFAOYSA-N 279.368 3.831 0 30 CHAC Cc1ccc(P(N2CCCCC2)N2CCCCC2)cc1 3628261 OVMBYENTCAHZFD-UHFFFAOYSA-N 290.391 3.904 0 30 CHAC CCCc1ccc(C(=O)Nc2ccc3nsnc3c2)cc1 12340850 VGAMVBXDVFDSIE-UHFFFAOYSA-N 297.383 3.896 0 30 CHAC Cc1ccc(-c2sc(S)n[n+]2-c2ccccc2)cc1 38322360 YTYDICCCFWJOCI-UHFFFAOYSA-O 285.417 3.684 0 30 CHAC CCOC(=O)/C=C/c1ccc(SC(F)(F)F)cc1 96308780 ILIHJUQLUVJLEF-VMPITWQZSA-N 276.279 3.875 0 30 CHAC Cc1ccc(S(=O)(=O)c2cc(C)c3ccccc3n2)cc1 15444399 VVWNVVSKVUOCBM-UHFFFAOYSA-N 297.379 3.684 0 30 CHAC Brc1ccc2c(c1)CC[C@@]21OCCCS1 15042550 RQBCYRANQJUCEN-LBPRGKRZSA-N 285.206 3.702 0 30 CHAC CC[C@H](C)CC(=O)O[C@H](C)[C@@H](C)OC(=O)C[C@H](C)CC 33885938 GWNMIQRGDYKMPM-XJFOESAGSA-N 286.412 3.722 0 30 CHAC CC(C)(C)[Si](C)(C)OC1CCC(C(=O)O)CC1 199788046 XYXDRXIBUWZFBJ-UHFFFAOYSA-N 258.434 3.652 0 30 CHAC ONc1ccc(-n2c3ccccc3c3ccncc32)cc1 13282588 LECLBYWFRKFHIQ-UHFFFAOYSA-N 275.311 3.980 0 30 CHAC in-vitro Nc1ccc(Nc2ccc(O)cc2)c2ccccc12 200001310 NRBKEVJSGSFCTI-UHFFFAOYSA-N 250.301 3.871 0 30 CHAC CC(C)(C)OC(=O)N1CCC(c2cccnc2Cl)CC1 35270249 IZBZZCFQHRNHEE-UHFFFAOYSA-N 296.798 3.850 0 30 CHAC COc1ccc(C(=O)[C@@H](C)CC(=O)c2ccccc2)cc1 134836 ROBGURBZBOUCOX-ZDUSSCGKSA-N 282.339 3.787 0 30 CHAC CCOC(=O)c1cc(C)cc(Cl)c1Br 95829728 AHLDEJCTKZLEQQ-UHFFFAOYSA-N 277.545 3.588 0 30 CHAC Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1 6093099 VMFCMPIPSNBHJH-UHFFFAOYSA-N 261.664 3.979 0 30 CHAC c1ccc2c(c1)Sc1cccnc1N2CCN1CCCC1 33856485 GKTHMHXFBVBXPR-UHFFFAOYSA-N 297.427 3.780 0 30 CHAC Clc1nc(Cl)c2c(ccn2Cc2ccccc2)n1 45195595 NFNHWZVKVVHLFG-UHFFFAOYSA-N 278.142 3.786 0 30 CHAC CC1(C)N=C(c2ccccc2)[C@H](c2ccccc2)O1 32189604 DFPOHIZSQOARIP-INIZCTEOSA-N 251.329 3.983 0 30 CHAC CC(C)(C)OC(=O)c1cc(C(F)(F)F)ccc1F 94596713 JTDQFSYUIBABQS-UHFFFAOYSA-N 264.218 3.800 0 30 CHAC C[C@@H]1C[C@]2(C)[C@H](O)CC[C@@H]2[C@@H]2CCc3cc(O)ccc3[C@@H]21 252428434 DMSFWIJHZMGIJI-VFVXEPTKSA-N 286.415 3.855 0 30 CHAC O[C@@H](c1c[nH]c2ccccc12)C(Cl)(Cl)Cl 238790379 KNHYQIDFVDXYRN-VIFPVBQESA-N 264.539 3.572 0 30 CHAC CCc1ccc(C(=O)Nc2ccc(N)cc2Cl)s1 43639584 PKAIHNKHBKOUFS-UHFFFAOYSA-N 280.780 3.798 0 30 CHAC in-vitro N[C@@H](c1c[nH]c2ccccc12)C(Cl)(Cl)Cl 135825429 CMRVMNOQKHSGFC-VIFPVBQESA-N 263.555 3.538 0 30 CHAC Cc1ccc(C(=O)c2cc(Br)sc2N)cc1 98209779 QTEBINMAKHPQOA-UHFFFAOYSA-N 296.189 3.632 0 30 CHAC COC1=CC2=CN(Cc3ccccc3)CCC[C@H]2C=C1OC 299754814 VGCSIRGVGXBYNZ-INIZCTEOSA-N 297.398 3.857 0 30 CHAC Cc1ccc(F)cc1NC(=O)Nc1nnc(C2CC2)s1 4333970 PGXPJYXZHYIMHT-UHFFFAOYSA-N 292.339 3.507 0 30 CHAC CCC(c1ccc(O)c(OC)c1)c1ccc(O)c(OC)c1 38611888 XEOJWUCFIDZEBK-UHFFFAOYSA-N 288.343 3.657 0 30 CHAC CCC1([C@H]2N=C(c3ccccc3)OC2=O)CCCCC1 39140039 ZANNKVOZIGJZAG-AWEZNQCLSA-N 271.360 3.719 0 30 CHAC O=C(CCOc1ccc(F)cc1)Nc1ccc(Cl)cc1 107258 XJBTYZSXNJFTBZ-UHFFFAOYSA-N 293.725 3.887 0 30 CHAC CC1(C)CCN(C(=O)c2ccc(-c3ccccc3)[nH]2)CC1 499102893 VKNDLYFPQMZTTO-UHFFFAOYSA-N 282.387 3.944 0 30 CHAC N[C@H](Cc1ccccn1)c1ccc(Cl)c(Cl)c1 20429130 JAZGEBAOEXMBCJ-CYBMUJFWSA-N 267.159 3.631 0 30 CHAC Cc1ccc(C(=O)[C@H](C)N(C)Cc2ccccc2)cc1 50132573 UIOKRZKDMRJWFG-HNNXBMFYSA-N 267.372 3.698 0 30 CHAC C[C@H](CC(=O)c1cccs1)C(=O)c1ccccc1 134846 RQJRVGFZUHRCPF-LLVKDONJSA-N 258.342 3.840 0 30 CHAC CSc1nc(Cl)cc(NC2CCCCC2)n1 84198952 HWKHBHKMFGSHFV-UHFFFAOYSA-N 257.790 3.597 0 30 CHAC CC(C)(C)OC(=O)c1cc(Br)ccc1F 68813124 RGUSYURXTLDCDB-UHFFFAOYSA-N 275.117 3.544 0 30 CHAC C[C@@H](NC(=O)OC(C)(C)C)c1ccc2[nH]ccc2c1 953095683 ZQUOZFURPYJOBQ-SNVBAGLBSA-N 260.337 3.754 0 30 CHAC FC(F)(F)c1ccc2c(n1)CCN(Cc1ccccc1)C2 91368449 QWMDCEXQXXIPGH-UHFFFAOYSA-N 292.304 3.659 0 30 CHAC CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)o1 211341503 PRJUVJAFEABIRF-UHFFFAOYSA-N 251.204 3.645 0 30 CHAC COc1ccc(COC(=O)NC=Cc2ccccc2)cc1 2265278772 CNMQHIPKAUOQGF-UHFFFAOYSA-N 283.327 3.592 0 30 CHAC C[C@@H](Oc1ccc(Oc2ccccc2Cl)cc1)C(=O)O 33727350 NXULDNGEVYRUGK-SNVBAGLBSA-N 292.718 3.984 0 30 CHAC Cc1cc2cccc(Br)c2c(Cl)n1 125296969 MDVGMFRPDQSUCP-UHFFFAOYSA-N 256.530 3.959 0 30 CHAC COc1ccc2cc(-c3c[nH]cc3C(=O)O)ccc2c1 37245340 BDSDNHNWDSQGIK-UHFFFAOYSA-N 267.284 3.542 0 30 CHAC in-vitro FC(F)c1cc(Br)nc(Br)c1 238605871 SUXPXTUYNMILLJ-UHFFFAOYSA-N 286.901 3.544 0 30 CHAC CCCCCC(=O)OC[C@H](C)OC(=O)CCCCC 5782353 RMZFJNNOMUICLE-ZDUSSCGKSA-N 272.385 3.622 0 30 CHAC CCC[C@H](OC(=O)C(C)C)[C@@H](CC)COC(=O)C(C)C 139186615 VQMFIHQBOYTCJD-KBPBESRZSA-N 286.412 3.580 0 30 CHAC COc1c(C(C)(C)C)cc(CO)cc1C(C)(C)C 21988526 RFEYGJGHESCXRB-UHFFFAOYSA-N 250.382 3.783 0 30 CHAC N[C@H](CC(F)(F)F)c1cc(Cl)cc(Cl)c1 95660461 ZNLHMXGTUGHXOO-MRVPVSSYSA-N 258.070 3.946 0 30 CHAC CC(C)OC(=O)c1cc(Br)ccc1Cl 57951504 OXZSNWNGQKNMPK-UHFFFAOYSA-N 277.545 3.668 0 30 CHAC N#Cc1c2ccccc2cn1-c1cc(Cl)ccc1N 223757130 VBNZSUAJKVLFJG-UHFFFAOYSA-N 267.719 3.738 0 30 CHAC CNCC[C@@H](Oc1ccc(C)cc1)c1ccccc1 34053778 HBZGYXADKHAYTM-QGZVFWFLSA-N 255.361 3.725 0 30 CHAC in-vitro Clc1ccc2nc(-c3cccs3)c(Cl)n2n1 21299416 NBLLAWZKPXOFGU-UHFFFAOYSA-N 270.144 3.765 0 30 CHAC O=Cc1c(F)ccc(OCc2ccccc2)c1Cl 113768293 BPNKGKIYWCCWSY-UHFFFAOYSA-N 264.683 3.871 0 30 CHAC Brc1ccccc1[C@@]12CCCC[C@H]1O2 299805377 LFDBJYOWBFFESF-NEPJUHHUSA-N 253.139 3.617 0 30 CHAC CCCCCC[C@H](C)OC(=O)[C@@H](C)Br 96347219 JRLNZNCOQCBRDL-VHSXEESVSA-N 265.191 3.672 0 30 CHAC CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 115185 KAMZYUPEPXYCDZ-UHFFFAOYSA-N 261.394 3.502 0 30 CHAC O=C(O)CSc1c(Cl)cc(Cl)cc1Cl 131917 GLUITVXDRJKLMN-UHFFFAOYSA-N 271.552 3.824 0 30 CHAC COc1ccc(C(=O)c2c(C)oc3ccccc23)cc1 2576320 YHTKTSKKNRXRKB-UHFFFAOYSA-N 266.296 3.981 0 30 CHAC O=C(O)c1ccc(Cc2c(O)ccc3ccccc23)cc1O 33609014 KATSLVVXUQLRFK-UHFFFAOYSA-N 294.306 3.540 0 30 CHAC CCOC(=O)CCc1cc(Cl)sc1Cl 141342375 NOXLGCXNYVKWGK-UHFFFAOYSA-N 253.150 3.551 0 30 CHAC N[C@@H](c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1 19433747 KKKNZIQXBOFPBU-CYBMUJFWSA-N 269.241 3.893 0 30 CHAC in-vitro O=C(O)CCc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 33825065 JYMCCVMGJODMDO-UHFFFAOYSA-N 292.338 3.761 0 30 CHAC in-vitro O=C(O)C1(c2cc(F)cc(C(F)(F)F)c2)CCCC1 259512951 RZTPIADHXJRCOQ-UHFFFAOYSA-N 276.229 3.741 0 30 CHAC FC(F)(F)COc1ccc2nc(Cl)ccc2c1 70494142 HMMOIOCOMKHNDY-UHFFFAOYSA-N 261.630 3.829 0 30 CHAC Fc1ccc(-c2cn3cccc(Br)c3n2)cc1 39325755 NJJRLRFJFNYNHT-UHFFFAOYSA-N 291.123 3.903 0 30 CHAC CCN(CC)C(=O)c1c2c(nc3ccccc13)CCCC2 91339 BODGAMBTBSTNOV-UHFFFAOYSA-N 282.387 3.596 0 30 CHAC FC(F)(F)c1ccc(Oc2cc(Cl)ncn2)cc1 48631023 VQCPAZZUYOQIMW-UHFFFAOYSA-N 274.629 3.941 0 30 CHAC Cc1cc(Cl)ccc1OCC(=O)OCCC(C)C 33506191 WAVHTBLKCQNMBC-UHFFFAOYSA-N 270.756 3.617 0 30 CHAC CCCC[C@H](SS[C@H](CCCC)C(=O)O)C(=O)O 2015565 MWPDZNLNSAHLMK-AOOOYVTPSA-N 294.438 3.655 0 30 CHAC CCOc1ccc2nc(-c3ccccc3)cc(N)c2c1 36075463 GPNMBTSECBIPLI-UHFFFAOYSA-N 264.328 3.883 0 30 CHAC O=C(O)Cc1cccc2oc(-c3ccc(Cl)cc3)nc12 2001054 MEHZHWGUUVSWKN-UHFFFAOYSA-N 287.702 3.775 0 30 CHAC Cc1n[nH]c(C)c1Sc1ccc(C(F)(F)F)cn1 123504 VUTWCYFHCQYZNS-UHFFFAOYSA-N 273.283 3.592 0 30 CHAC CC1(OC(=O)[C@@H]2C[C@H]3C=C[C@@H]2C3)[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 2265357452 OJGSGTWNQWAFBE-BJUFXTIXSA-N 286.415 3.957 0 30 CHAC CC(=C/C(=O)O)/C(=C\C[C@H](C)CCCC(C)C)C(=O)O 12382196 AFAUEBFIKITXQG-FKNWONGSSA-N 282.380 3.881 0 30 CHAC CCCC[C@H](C)O[S@@](=O)(=S)c1ccc(C)cc1 100287359 KQKKQHBXEGNXSD-YVEFUNNKSA-N 272.435 3.611 0 30 CHAC CCCc1ccc(N2C(=O)CS[C@H]2c2cccnc2)cc1 100200 XAAZVFWBHOTTDF-KRWDZBQOSA-N 298.411 3.813 0 30 CHAC NC[C@H](Oc1ccc(Br)cc1)c1ccccc1 19670748 SUGYEGJZLMNUKS-AWEZNQCLSA-N 292.176 3.528 0 30 CHAC CCCCC12CC(I)(C1)C2 148795643 TZEOZQJSSQRENN-UHFFFAOYSA-N 250.123 3.534 0 30 CHAC Nc1ccccc1SCc1noc(-c2cccs2)n1 112713 XBUDTXXFZWBZMI-UHFFFAOYSA-N 289.385 3.673 0 30 CHAC O=C(Nc1nccc2ccccc12)c1cccs1 150367 JCLXXLCUGHHMQN-UHFFFAOYSA-N 254.314 3.549 0 30 CHAC Cc1ccccc1N1CCN(c2ccccc2C)CC1 20232866 JGAUYUXAWKINSH-UHFFFAOYSA-N 266.388 3.630 0 30 CHAC CCCN1CCCC[C@@H]1CCCOC(=O)c1ccccc1 33875339 YMJJBRYNFQFAQP-QGZVFWFLSA-N 289.419 3.888 0 30 CHAC COc1cccc(-c2cc3n(n2)CCc2ccccc2-3)c1 33828216 FGGIVEYWSNKLHX-UHFFFAOYSA-N 276.339 3.782 0 30 CHAC [C-]#[N+]c1cc(Br)ccc1Br 95698218 CCBGBEIEUNZOTH-UHFFFAOYSA-N 260.916 3.762 0 30 CHAC CSc1cc(Br)cc(O)c1Cl 575676686 SOSFPBQRQBMYRP-UHFFFAOYSA-N 253.548 3.530 0 30 CHAC O=C1c2cc(Cl)ccc2CC[C@H]1c1cccnc1 2031102 RCBZARSYIFQZOX-ZDUSSCGKSA-N 257.720 3.648 0 30 CHAC CCOc1ccc(N(C)c2ccc(C=O)cc2)cc1 39259791 DJNUHUMSXPKISX-UHFFFAOYSA-N 255.317 3.666 0 30 CHAC C[C@H](C1CC1)[C@](C)(Cn1cncn1)c1ccc(Cl)cc1 108646740 JCOKNRLKILGMJN-WBMJQRKESA-N 289.810 3.936 0 30 CHAC Brc1ccc(Br)c2c1CCCN2 42577778 MONABZJAHIPXQV-UHFFFAOYSA-N 290.986 3.570 0 30 CHAC COC(=O)Cc1sc2ccc(Cl)cc2c1C 172286 MHTVWKZENPZIOO-UHFFFAOYSA-N 254.738 3.579 0 30 CHAC CCCCOC(=O)[C@H](C)Oc1ccc(Cl)cc1C 5821413 HLSZELGMPRJPOA-NSHDSACASA-N 270.756 3.759 0 30 CHAC C[C@H](Oc1ccc(Oc2ccccc2Cl)cc1)C(=O)O 33727349 NXULDNGEVYRUGK-JTQLQIEISA-N 292.718 3.984 0 30 CHAC Cc1ccc([C@@H]2OC3(CCNCC3)c3ccccc32)cc1 39206755 YMXYFQFMLWUVIM-SFHVURJKSA-N 279.383 3.693 0 30 CHAC C[Si](C)(C)Nc1c(F)c(F)c(F)c(F)c1F 195755592 KWEFNENVOXDWHP-UHFFFAOYSA-N 255.262 3.629 0 30 CHAC O=C1Cc2ccc(Br)cc2N1c1ccccc1 498050802 TYEQQKALCIKFIB-UHFFFAOYSA-N 288.144 3.670 0 30 CHAC CSc1cccc(N[C@H]2OC(=O)c3ccccc32)c1 164878 KONKLDRBGWCYJW-AWEZNQCLSA-N 271.341 3.690 0 30 CHAC Cc1c(Br)cc2nc3c(nc2c1C)CCCC3 153835 KUFZGNWUCRRMRI-UHFFFAOYSA-N 291.192 3.888 0 30 CHAC C[C@@H](O)c1ccc(Br)cc1C(F)(F)F 54270111 QQQXLJXORGOBRT-RXMQYKEDSA-N 269.060 3.521 0 30 CHAC C[C@H](C1CC1)[C@@](C)(Cn1cncn1)c1ccc(Cl)cc1 108646733 JCOKNRLKILGMJN-MLGOLLRUSA-N 289.810 3.936 0 30 CHAC CSc1cc(Cc2ccc(N)c(SC)c2)ccc1N 33986114 XRKGCGRPZUUQRR-UHFFFAOYSA-N 290.457 3.886 0 30 CHAC Cc1ccccc1-c1nnc(S)n1-c1ccccc1C 6713399 MYUXUGQGMVKQRO-UHFFFAOYSA-N 281.384 3.840 0 30 CHAC in-vitro CCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)O 75830 NTKPZYSITUZWQV-UHFFFAOYSA-N 286.114 3.909 0 30 CHAC CC(C)(C)c1ccc2occ(Br)c(=O)c2c1 90647017 BMGAFYQPEZYXJD-UHFFFAOYSA-N 281.149 3.853 0 30 CHAC Cc1ccc([C@H](O)[C@H](C)C(=O)c2ccccc2)cc1 21996843 VMHIDNSPRCRSKI-CXAGYDPISA-N 254.329 3.547 0 30 CHAC Cc1onc(-c2ccccc2)c1CNC(=O)C1CCCCC1 105463 ZGBHGWLOEARDHX-UHFFFAOYSA-N 298.386 3.847 0 30 CHAC CCOC(=O)c1sc(SC)c2c1CCC=C2 125510 IGRGABSJPCJFID-UHFFFAOYSA-N 254.376 3.606 0 30 CHAC O=C1c2ccccc2CCc2sc(Br)cc21 117167676 KMVWXOTVAPVYRY-UHFFFAOYSA-N 293.185 3.840 0 30 CHAC CC1(C)N=C(c2ccccc2)[C@@H](c2ccccc2)O1 32189605 DFPOHIZSQOARIP-MRXNPFEDSA-N 251.329 3.983 0 30 CHAC Brc1cnc2[nH]cc(C3CCC3)c2c1 307089268 UWKJUSPPDKCQEU-UHFFFAOYSA-N 251.127 3.593 0 30 CHAC Nc1ccc(OCc2ccccc2)cc1-n1cccc1 309964436 CRHSFSPYVDKCCR-UHFFFAOYSA-N 264.328 3.639 0 30 CHAC CC(C)Oc1cc(OCc2ccccc2)cc(C(=O)O)c1 95932159 YHRXMGQEVPNUIL-UHFFFAOYSA-N 286.327 3.751 0 30 CHAC O=C(c1ccc(-c2ccccc2F)[nH]1)C(F)(F)F 725712254 NFWCNEZLJAZUOD-UHFFFAOYSA-N 257.186 3.566 0 30 CHAC Cc1ccc2cc(NC(=O)c3ccccc3)ccc2n1 84464 QKZUHXFIJRQZHC-UHFFFAOYSA-N 262.312 3.796 0 30 CHAC Cc1cc(NCc2cccc(Cl)c2Cl)no1 76914 ZUCSUWZXMZITGD-UHFFFAOYSA-N 257.120 3.902 0 30 CHAC O=C(Nc1ccc(C(F)(F)F)cn1)Nc1cccs1 155599 MQKZYWJFTZNVSC-UHFFFAOYSA-N 287.266 3.806 0 30 CHAC CC(C)c1cccc(C(C)C)c1NC(=O)/C=C/C(=O)O 98237 SUNFYLKCWYHKGX-CMDGGOBGSA-N 275.348 3.513 0 30 CHAC CCN(CC)c1ccc(NC(=O)c2ccccc2N)c(C)c1 972 MMPYYZUCLBHNSK-UHFFFAOYSA-N 297.402 3.676 0 30 CHAC in-man CO[C@@H]1CCCN[C@H]1[C@@H](c1ccccc1)C1CCCC1 5606591 LFOIUEXTRFPFPZ-FGTMMUONSA-N 273.420 3.727 0 30 CHAC COc1ccc(CC2=NCCC3=C2CCCC3)cc1 33506879 IYZRINJHKVQAQC-UHFFFAOYSA-N 255.361 3.953 0 30 CHAC in-vitro CSc1cccc(Nc2ccccc2C(=O)O)c1 50912932 JLVZKULKBLUFIY-UHFFFAOYSA-N 259.330 3.850 0 30 CHAC Oc1ccc(Cl)cc1-c1ccc2cccnc2n1 1495614 NENBYHKMTVRJSM-UHFFFAOYSA-N 256.692 3.656 0 30 CHAC COC(=O)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H](O)CCC[C@]12C 96030378 CKASUARKSBQLEP-KSXIZUIISA-N 282.424 3.543 0 30 CHAC in-vitro Nc1cccc(F)c1Oc1ccc(C(F)(F)F)cn1 124329110 CDPRDBNBBRSETI-UHFFFAOYSA-N 272.201 3.614 0 30 CHAC COc1cc(OC)c2c(Cl)cc(Cl)nc2c1 95831289 RAWSVNPTMQTYNN-UHFFFAOYSA-N 258.104 3.559 0 30 CHAC Cn1nc(-c2ccccc2)cc1NC(=O)Nc1cccs1 157333 CCWDJJVTJQGBHQ-UHFFFAOYSA-N 298.371 3.793 0 30 CHAC Cc1cc(C)c2cc(C(=O)Nc3cccc(C)n3)[nH]c2c1 171560 SGNVPEDKINPLCU-UHFFFAOYSA-N 279.343 3.740 0 30 CHAC Cc1cc(SCc2ncon2)c(Cl)cc1Cl 105854 XOPCDLFRZGUJFZ-UHFFFAOYSA-N 275.160 3.977 0 30 CHAC Clc1cc(Br)sc1Br 87625849 PDFIWWRRJPGOEB-UHFFFAOYSA-N 276.380 3.927 0 30 CHAC Cc1sc(C2(N)CCC2)nc1-c1ccccc1F 122624645 VZHBWIFWJBAXED-UHFFFAOYSA-N 262.353 3.596 0 30 CHAC Clc1cc(Br)cc([C@@H]2CCCN2)c1 84623580 WSFHFWWZQCMDFL-JTQLQIEISA-N 260.562 3.527 0 30 CHAC COP(=O)(N(C(C)C)C(C)C)N(C(C)C)C(C)C 2557051 GVHGUVGWMWKOJL-UHFFFAOYSA-N 278.377 3.979 0 30 CHAC O[C@H](CCn1ccnc1)c1ccc(-c2ccccc2)cc1 13209929 LVJILDGVTZJXQK-GOSISDBHSA-N 278.355 3.674 0 30 CHAC C/C=C/N1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(O)cc13 101423715 ZSLIVJZCDVJLTG-JNOLAEIESA-N 283.415 3.984 0 30 CHAC CN1CCC(N(Cc2cccs2)c2ccccc2)CC1 2146 KLOHYVOVXOUKQI-UHFFFAOYSA-N 286.444 3.849 0 30 CHAC in-man O=C(Oc1cccc2cccnc12)c1c(F)cccc1F 112521 GFYIZQSTDNFZQQ-UHFFFAOYSA-N 285.249 3.732 0 30 CHAC c1cnc2cc(C3CCCC3)n(C3CCNCC3)c2c1 607717057 TUXOMMKTXXUKGP-UHFFFAOYSA-N 269.392 3.618 0 30 CHAC CC(C)(C)c1ccc(NC(=O)C2CC2)c(Cl)c1 76148 JTJGMWIKHCNWNS-UHFFFAOYSA-N 251.757 3.986 0 30 CHAC Cc1c(C)c(C)c(CSC2=NC[C@H](C)N2)c(C)c1C 13464780 CCMARQZPNDFALT-VIFPVBQESA-N 276.449 3.810 0 30 CHAC Cc1nc2ccccc2n1C(F)(F)[Si](C)(C)C 195756223 ZOOUJHPYEIPJMA-UHFFFAOYSA-N 254.356 3.771 0 30 CHAC Cc1ncsc1-c1ccc([C@@H](C)N)c(Cl)c1 698630028 UCYWZJDCZDUULV-SSDOTTSWSA-N 252.770 3.792 0 30 CHAC COc1c(Cl)cccc1-c1cn2ccccc2n1 73831 BDLLDQBFNYGYTQ-UHFFFAOYSA-N 258.708 3.663 0 30 CHAC C[S@@](=O)c1ccc2c(c1)Nc1ccccc1S2 34265339 PKTNJPQVNOFHLC-KRWDZBQOSA-N 261.371 3.632 0 30 CHAC CC[C@@H](C)C(=O)c1cc(F)c(Br)cc1F 70022455 OBHIJZXZVWRIBL-ZCFIWIBFSA-N 277.108 3.956 0 30 CHAC O=C(OCc1cc(F)cc(F)c1)c1c(F)cccc1F 110590 ZIVJZGUNSKCWKB-UHFFFAOYSA-N 284.208 3.600 0 30 CHAC CC/C(=C(/CCO)c1ccc(O)cc1)c1ccc(O)cc1 31490824 AHVATZBFNWVXRV-ISLYRVAYSA-N 284.355 3.801 0 30 CHAC Cc1[nH]c2ccccc2c1CCN1CCCC[C@H]1C 33866204 FFOSNISOYHKFNP-CYBMUJFWSA-N 256.393 3.893 0 30 CHAC Cc1ccc(C(C)C)cc1OC(=O)c1cccnc1 38613361 SZCZJXCLBISPEH-UHFFFAOYSA-N 255.317 3.733 0 30 CHAC CN1CCC(C)(C)c2cccc(Br)c21 98180684 NEQBYOCYQSSTGA-UHFFFAOYSA-N 254.171 3.567 0 30 CHAC Fc1ccc(NC(=S)Nc2ccc3cn[nH]c3c2)cc1 71905 WMDYRLAPQORBNC-UHFFFAOYSA-N 286.335 3.511 0 30 CHAC O=C(Cn1ccnc1)c1ccc(Sc2ccccc2)cc1 13209915 LNDAIUCQTGDFAK-UHFFFAOYSA-N 294.379 3.917 0 30 CHAC O=C1C[C@H](c2ccccc2Br)C12CCC2 700921450 JSSAFGLJHACWOO-SNVBAGLBSA-N 265.150 3.676 0 30 CHAC O=C(NCc1csc2ccccc12)c1cccs1 69440 NUOKEGDEUYEDDL-UHFFFAOYSA-N 273.382 3.893 0 30 CHAC Cn1c(-c2ccccc2)csc1=NC1CCCCC1 334157455 BAEAXTMZMNLILA-UHFFFAOYSA-N 272.417 3.987 0 30 CHAC O=c1oc2ccccc2n1Cc1ccc(C(F)(F)F)cc1 121863 AKDNRCALWKIADT-UHFFFAOYSA-N 293.244 3.662 0 30 CHAC O=c1oc(-c2ccccc2)cc(N2CCCCC2)c1Cl 1571596 DTPIBYOZZPKARH-UHFFFAOYSA-N 289.762 3.951 0 30 CHAC CCOc1ccc(C=CC(=O)NCc2ccc(F)cc2)cc1 2265259416 DLRQGZZUNHVRIK-UHFFFAOYSA-N 299.345 3.554 0 30 CHAC CCCOc1cc(OCCC)c(C=O)c(OCCC)c1 5836362 ZKEZHPWKUOFRIB-UHFFFAOYSA-N 280.364 3.866 0 30 CHAC O[C@@H](Cn1ccnc1)c1ccc(C2CCCCC2)cc1 27849945 KVRFDUMBYULIRY-KRWDZBQOSA-N 270.376 3.664 0 30 CHAC O=C1Nc2ccccc2S/C1=C/c1cccs1 71411 TVXDSWUMDVVFSL-XYOKQWHBSA-N 259.355 3.833 0 30 CHAC CSc1sc(Br)c2c1C(=O)CCC2 4350338 BFKNYJAHEXEVTK-UHFFFAOYSA-N 277.208 3.752 0 30 CHAC Nc1ccccc1N[P@@](=O)(O)Oc1ccc(Cl)cc1 8553549 ZVVDLZWRSSFHNJ-UHFFFAOYSA-N 298.666 3.514 0 30 CHAC CO[C@@H]1CCC[C@H]([C@@]2(C)[C@H]3CC[C@@H](C3)C2(C)C)[C@H]1O 256090779 RGGISOXPWGFYBO-NXVNZYLDSA-N 266.425 3.625 0 30 CHAC Brc1cccc([C@@H]2OCCCS2)c1 39325859 MEEWQZWPLNYYER-SNVBAGLBSA-N 259.168 3.601 0 30 CHAC Fc1ccc(-c2ccc(Br)nc2)cc1 41321824 MWZSJTIJQVUACR-UHFFFAOYSA-N 252.086 3.650 0 30 CHAC O=c1c(C2CCCCC2)c(O)c2cccc3c2n1CCC3 100402263 QOYCUCCSCRXJGX-UHFFFAOYSA-N 283.371 3.701 0 30 CHAC COc1ccc([C@@H]2Nc3cc(Cl)ccc3O2)cc1 144479 LNTHSPHYJRJFTG-CQSZACIVSA-N 261.708 3.852 0 30 CHAC C[C@@H](C(=O)c1ccc(Cl)cc1Cl)n1ccnc1 33637222 SFMBWOWMCGHHQM-QMMMGPOBSA-N 269.131 3.634 0 30 CHAC CCN(CC)C(=O)Cc1c(Cl)sc2ccccc12 169217 DAWKRMLPSNHNEJ-UHFFFAOYSA-N 281.808 3.966 0 30 CHAC Cc1c(C(=O)OCC(=O)c2ccccc2)oc2ccccc12 3537334 ALFFXBLVHMQHLA-UHFFFAOYSA-N 294.306 3.781 0 30 CHAC Nc1ccc(-c2ccc3cc(OCCF)ccc3n2)cc1 84688030 ZGJOXECWZKCGBV-UHFFFAOYSA-N 282.318 3.832 0 30 CHAC CN(C)C[C@H]1Cc2ccc(Cl)cc2C(c2ccccc2)=N1 33885622 MHUJXSHQRUTFKD-MRXNPFEDSA-N 298.817 3.664 0 30 CHAC CN(C)C/C=C(\c1ccccc1)c1cccc(F)c1 31320078 LXFAPIFEQCWVJW-GZTJUZNOSA-N 255.336 3.819 0 30 CHAC CNCCC[C@@]1(C)C(=O)N(c2ccccc2)c2ccccc21 2015641 HBGWAZBZXJBYQD-LJQANCHMSA-N 294.398 3.622 0 30 CHAC in-man CC(C)C(OCc1ccco1)OCc1ccco1 38648334 AAYXEQGKAQUIMA-UHFFFAOYSA-N 250.294 3.588 0 30 CHAC CS[C@]1(c2ccc(C)cc2)CC(C)=C(C)C[S@]1=O 17111749 NYJIOPKPWXYYRX-QAPCUYQASA-N 280.458 4.000 0 30 CHAC COC(=O)[C@]1(C)CCC[C@@]2(C)c3cc(O)ccc3CC[C@@H]12 72232996 HRZWXLUBKWXXNM-BPQIPLTHSA-N 288.387 3.576 0 30 CHAC O[C@@]1(c2ccccc2)CC[C@H]2[C@H]1CC[C@]2(O)c1ccccc1 13464285 BGPALYKOUQFTBY-FGYAAKKASA-N 294.394 3.582 0 30 CHAC CC(C)C(NCCNC(C(C)C)C(C)C)C(C)C 19366955 AJVWVTSSZWIPPZ-UHFFFAOYSA-N 256.478 3.527 0 30 CHAC C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)CC=CC[C@]34C)[C@@H]1CC[C@@H]2O 2265351433 KDSYIIWCLNQJNC-TVRUUFEMSA-N 290.447 3.671 0 30 CHAC Clc1c(Cl)c(Cl)c2c(c1Cl)CNC2 118059631 GIWAOIJOGCCAFF-UHFFFAOYSA-N 256.947 3.903 0 30 CHAC Fc1ccccc1[C@@H]1NCCNc2ccc(Cl)cc21 1536219785 BYKPZQKCYSBZMW-HNNXBMFYSA-N 276.742 3.584 0 30 CHAC CC/C=C\CC[C@@H](CC(OCC)OCC)OCC 38647063 VUIMLAIIKSNXBC-CMUBDUJZSA-N 258.402 3.927 0 30 CHAC CO[C@@H]1CCCN[C@H]1[C@H](c1ccccc1)C1CCCC1 31561980 LFOIUEXTRFPFPZ-KZNAEPCWSA-N 273.420 3.727 0 30 CHAC Clc1ccc(N=c2ssnc2Cl)cc1 252675582 UKVZDQXUGYXTLF-UHFFFAOYSA-N 263.174 3.744 0 30 CHAC O=C(O)c1ccc(-c2ccccc2C(F)(F)F)c(O)c1 65354200 MKUFXLXCXIQIER-UHFFFAOYSA-N 282.217 3.776 0 30 CHAC C[C@]12CC[C@@H]3c4ccc(O)cc4C=C[C@@H]3[C@H]1CCC2=O 173992 WTRRIQCGCGCMQA-HPFXQQBRSA-N 268.356 3.898 0 30 CHAC biogenic CCN(C(=S)Nc1ccccc1OC)c1ccccc1 128661 SWBWJVCPPVRSSH-UHFFFAOYSA-N 286.400 3.919 0 30 CHAC CC(=O)Cc1c[nH]c2cccc(OCc3ccccc3)c12 15205401 BMFUYDUSMLVBHB-UHFFFAOYSA-N 279.339 3.878 0 30 CHAC CCC[C@H](OC(=O)C(C)C)[C@H](CC)COC(=O)C(C)C 139186860 VQMFIHQBOYTCJD-KGLIPLIRSA-N 286.412 3.580 0 30 CHAC COc1cc(C(=O)O)c(C(C)C)c(OC)c1C(C)C 888084893 KSBCJAUOKQQTDY-UHFFFAOYSA-N 266.337 3.649 0 30 CHAC O=C(O)c1cccc(Oc2cc(C(F)(F)F)ccn2)c1 90804352 ZPUVCRJUNOOYTD-UHFFFAOYSA-N 283.205 3.591 0 30 CHAC O=C(NCC1CC1)Nc1ccc(OCc2ccccc2)cc1 157644 XIPVMCHIFVZRLI-UHFFFAOYSA-N 296.370 3.797 0 30 CHAC Cc1cccc(Oc2ccc(C(=O)O)c(Cl)c2)n1 2265383625 GFIHIFFUQSGWML-UHFFFAOYSA-N 263.680 3.534 0 30 CHAC CC(C)(C)OC(=O)N1Cc2cccc3cc(N)cc(c23)C1 98090091 TVNURGDIUPVHJS-UHFFFAOYSA-N 284.359 3.673 0 30 CHAC CCO[P@](=O)(CC)O/C=C/NC1CCCCC1 146500921 CHULBCDOSKNGOV-SXSDINLZSA-N 261.302 3.646 0 30 CHAC C[C@H](N)C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 39136900 ZHNROCNVJZDJGU-JTQLQIEISA-N 277.408 3.517 0 30 CHAC CCCCC[C@@H](/C=C/n1ccnc1)OC(=O)c1cccnc1 5114640 KDFWKXZFYSRQSX-KXKDPZRNSA-N 299.374 3.555 0 30 CHAC in-man NC[C@@H](Oc1ccc(Br)cc1)c1ccccc1 19670746 SUGYEGJZLMNUKS-CQSZACIVSA-N 292.176 3.528 0 30 CHAC Fc1ccc([C@H]2CN3C(=N2)C=Cc2ccccc23)cc1 94233 UCKFKYDCJGFWOZ-OAHLLOKOSA-N 264.303 3.812 0 30 CHAC Cc1noc(C(F)(F)F)c1-c1nc(-c2ccccc2)no1 108894 JWXFDFONOPJILS-UHFFFAOYSA-N 295.220 3.719 0 30 CHAC CCOC(=O)c1ccc(-c2cc(=O)c3ccccc3o2)cc1 173749 DNBRLXGCVKXLTH-UHFFFAOYSA-N 294.306 3.637 0 30 CHAC in-vitro Cc1ccc2nc(-c3cc4ccccc4o3)oc(=O)c2c1 100059 DGUGHQXXMBOTFA-UHFFFAOYSA-N 277.279 3.910 0 30 CHAC Brc1sc2ccncc2c1Br 334421 PRTOYMJPHMGASA-UHFFFAOYSA-N 292.983 3.821 0 30 CHAC C[C@@H](CN(Cc1ccccc1)Cc1ccccc1)N(C)C 19360829 IXEVSIRTTNRCQB-KRWDZBQOSA-N 282.431 3.639 0 30 CHAC N[C@@H](CC(O)(c1ccccc1)c1ccccc1)c1ccco1 2019058 FVARIOYYFNHHHX-KRWDZBQOSA-N 293.366 3.606 0 30 CHAC COc1ccc(C[C@H]2CCc3ncc(C)cc3C2)cc1 6447 APMZPAFYMXPYJH-OAHLLOKOSA-N 267.372 3.746 0 30 CHAC CC[C@@H](C)OC(=O)CC(C)(CC)CC(=O)O[C@H](C)CC 32192811 NQBKJWNKHYLRNO-CHWSQXEVSA-N 286.412 3.866 0 30 CHAC C[C@H](Cn1ccnc1)[C@H](O)c1ccc(-c2ccccc2)cc1 13209500 CLXBBIBLVPFFJA-BEFAXECRSA-N 292.382 3.920 0 30 CHAC c1ccc(Nc2nnc(-c3ccc4c(c3)OCO4)s2)cc1 33885775 NIRXRSLSDTWCDS-UHFFFAOYSA-N 297.339 3.677 0 30 CHAC C[C@@H](N)C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 39136901 ZHNROCNVJZDJGU-SNVBAGLBSA-N 277.408 3.517 0 30 CHAC COC(=O)c1cc2cc(F)c(OCc3ccccc3)cc2[nH]1 97447451 WSCPNTNIFNLGRL-UHFFFAOYSA-N 299.301 3.673 0 30 CHAC Cc1cc2cccc(O)c2nc1-c1ccccc1O 1081287925 QTEWSLADTUFMNQ-UHFFFAOYSA-N 251.285 3.621 0 30 CHAC O=C(O)c1ccc(-c2sccc2Br)cc1 12370816 WAOAWGITQLHUFM-UHFFFAOYSA-N 283.146 3.876 0 30 CHAC Cc1ccc([C@H]2OC3(CCNCC3)c3ccccc32)cc1 39206754 YMXYFQFMLWUVIM-GOSISDBHSA-N 279.383 3.693 0 30 CHAC O=C1CCc2cc(C(=O)CSc3ccccc3)ccc2N1 132412 RWBITCHZPCMXCB-UHFFFAOYSA-N 297.379 3.546 0 30 CHAC CC1(C)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 5699159 ZBNJFYQJKLRIAA-MRXNPFEDSA-N 265.356 3.796 0 30 CHAC CO[C@@H]1CCC[C@H]([C@]2(C)[C@H]3CC[C@@H](C3)C2(C)C)[C@H]1O 256090780 RGGISOXPWGFYBO-YDVRFCCISA-N 266.425 3.625 0 30 CHAC COc1ccc(Oc2cc(C(F)(F)F)ccn2)cc1 111662 BRHZUXXWZHRYIK-UHFFFAOYSA-N 269.222 3.901 0 30 CHAC CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NC(=O)c1cccs1 4321613 CNTWOTIESFUYFU-PSOPSSQASA-N 263.406 3.693 0 30 CHAC CCCCOc1ccc(C(=O)Oc2ccc(O)cc2)cc1 95080321 YIWBRSAYFRNTMR-UHFFFAOYSA-N 286.327 3.790 0 30 CHAC Clc1ccc(C2=NN=CC2=NNc2ccccc2)cc1 254417026 OVLGDTDDNIBREU-UHFFFAOYSA-N 282.734 3.597 0 30 CHAC Cc1ccc(Sc2ncccc2NC(=O)C2CC2)cc1 84117 WKLJKKLAPOHJTP-UHFFFAOYSA-N 284.384 3.890 0 30 CHAC O=C(NCc1ccccn1)Nc1csc2ccccc12 159383 RCUQLKWWAULLOK-UHFFFAOYSA-N 283.356 3.618 0 30 CHAC COc1ccc(Sc2ccccc2C(=O)O)cc1 173109 ZECGBLVFSQQYIT-UHFFFAOYSA-N 260.314 3.545 0 30 CHAC Fc1cccc(C=C(Br)Br)c1 75421024 WEKYBTNENFEUME-UHFFFAOYSA-N 279.934 3.914 0 30 CHAC Fc1ccc(Br)c(OCC(F)(F)F)c1 144677133 BEJOCBPQBFEUNB-UHFFFAOYSA-N 273.023 3.529 0 30 CHAC FC(F)(F)c1cc([C@H]2CCN2)cc(C(F)(F)F)c1 44257446 CJYXEHGGORAFSV-SECBINFHSA-N 269.188 3.759 0 30 CHAC in-vitro Cc1cc2c(c3cc(F)c4ccccc4c13)C=C[C@H](O)[C@H]2O 111430195 XSAGGPWJWXETMI-HKUYNNGSSA-N 294.325 3.862 0 30 CHAC Cc1ccc(C(=O)CCCCNC(=O)OC(C)(C)C)cc1 405637582 MBVUMVIEISYSKI-UHFFFAOYSA-N 291.391 3.873 0 30 CHAC COc1ccc(C(C)=O)cc1CSc1ccccn1 137649 LIQIPZQFCBWMRN-UHFFFAOYSA-N 273.357 3.585 0 30 CHAC O=C(NC=Cc1ccco1)OCc1ccc(Cl)cc1 2265278854 GVAXUBWJONYDAP-UHFFFAOYSA-N 277.707 3.830 0 30 CHAC C[C@@H]1c2ccsc2CCN1C(=O)c1cccs1 143567 YIAQGAPIWBZBNQ-SECBINFHSA-N 263.387 3.569 0 30 CHAC O=C(NCc1csc2ccccc12)c1ccccc1 69437 DCWURWIBENHDKH-UHFFFAOYSA-N 267.353 3.831 0 30 CHAC CCSC(CC)(CC)C(=O)NC1CCCCC1 1844666 VFKDTAYBPUAGSA-UHFFFAOYSA-N 257.443 3.747 0 30 CHAC O=C(O)c1cc(-c2cccc(C(F)(F)F)c2)ns1 33885033 JBBMPBUPJGSYJG-UHFFFAOYSA-N 273.235 3.527 0 30 CHAC N#Cc1c2ccc(Cl)cc2nc2ccc(O)cc12 39140533 ZGSKTDCLJGMYDL-UHFFFAOYSA-N 254.676 3.619 0 30 CHAC FC1(F)Cc2cc(Br)ccc2C1(F)F 90550001 JBWCERPEDBBVSS-UHFFFAOYSA-N 269.035 3.732 0 30 CHAC CN1N=C2c3ccccc3CC[C@H]2[C@H]1c1cccs1 4389057 FOUYPIAYLKDGBC-CJNGLKHVSA-N 268.385 3.701 0 30 CHAC O=C(O)c1cc(OCc2ccc(Cl)cc2)cs1 91342435 BSZILINEFUSITC-UHFFFAOYSA-N 268.721 3.679 0 30 CHAC CCOC(=O)c1ccc([C@@H](C)NCc2ccccc2)cc1 1772820824 YWGAOYJRCHBFDZ-CQSZACIVSA-N 283.371 3.714 0 30 CHAC CC[C@@H](C)OC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 3604081 JNJWTHMHROHMGZ-GHMZBOCLSA-N 270.756 3.757 0 30 CHAC CCOC(=O)[C@H]1[C@H](CC(Cl)(Cl)Cl)C1(C)C 5857700 BFRKWUSVYDWEBX-NKWVEPMBSA-N 273.587 3.582 0 30 CHAC C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)CC=CC[C@]34C)[C@H]1CC[C@@H]2O 2265351430 KDSYIIWCLNQJNC-GWETXUJWSA-N 290.447 3.671 0 30 CHAC Cc1cccc(N[C@H](C(=O)O)c2ccc(Cl)cc2)c1 4244727 AVWADDSNJAZTKD-AWEZNQCLSA-N 275.735 3.886 0 30 CHAC C[C@@H]1OCN(c2ccc(F)cc2)Cn2c1nc1ccccc12 104413 MIWFJSRMWBBTTM-LBPRGKRZSA-N 297.333 3.688 0 30 CHAC O=C(O)c1ccccc1[S@](=O)c1ccc2ccccc2c1 173136 SKSPJIUSDQZVKQ-NRFANRHFSA-N 296.347 3.705 0 30 CHAC O=Cc1ccc(-c2sccc2Br)cc1 12370818 BTYZFUJFFBNJTP-UHFFFAOYSA-N 267.147 3.990 0 30 CHAC CC(C)(C)OC(=O)n1cc([C@H]2CCNC2)c2ccccc21 22015020 CNEARFWZIAPQEU-LBPRGKRZSA-N 286.375 3.501 0 30 CHAC C[C@]12CC[C@@H]3[C@H](CC[C@]45CC(=O)CC[C@]34C5)[C@@H]1CCC2=O 253530397 ZXOGTZPVVUQMNN-IIHGSDOXSA-N 286.415 3.921 0 30 CHAC Cc1ccc(Nc2nnc(-c3ccccc3N)o2)cc1C 100499 VBWKIBVDKWTPIJ-UHFFFAOYSA-N 280.331 3.679 0 30 CHAC Brc1cccc2ccnc(Br)c12 96850511 IKAVUSHDOXOKHX-UHFFFAOYSA-N 286.954 3.760 0 30 CHAC O=C(O)CCCC(=O)Nc1ccccc1Oc1ccccc1 152881 VGKCGFKJNZXVIX-UHFFFAOYSA-N 299.326 3.672 0 30 CHAC Ic1ccc(C2CCCC2)cc1 141290249 YVHVJKIPYIYQST-UHFFFAOYSA-N 272.129 3.949 0 30 CHAC CC(=NOC(=O)Nc1ccc(Cl)cc1)c1ccco1 254813140 BMKQIRMLOVMLNU-UHFFFAOYSA-N 278.695 3.906 0 30 CHAC COC(=O)/C(=C\N(C)C)Sc1cc(C)c(Cl)cc1C 33381016 OIPFJWSVWQMPTI-MDWZMJQESA-N 299.823 3.625 0 30 CHAC Cc1nc(Cl)c2ccccc2c1Br 82767446 AJDDBYWICPGLDJ-UHFFFAOYSA-N 256.530 3.959 0 30 CHAC Oc1ncc(C(F)(F)F)c2cc(Br)ccc12 258334738 VBDJBBYFPDVUKS-UHFFFAOYSA-N 292.054 3.722 0 30 CHAC C[C@@H](CC(=O)c1cccs1)C(=O)c1ccccc1 134844 RQJRVGFZUHRCPF-NSHDSACASA-N 258.342 3.840 0 30 CHAC FC(F)(F)c1cccc(C[C@H]2CCCCCN2)c1 70318515 HSMCLRXSEPDBEZ-CYBMUJFWSA-N 257.299 3.780 0 30 CHAC C[C@]12CC[C@@H]3[C@H](CC[C@]45CC(=O)CC[C@@]34C5)[C@@H]1CCC2=O 253530398 ZXOGTZPVVUQMNN-RWCUPDDMSA-N 286.415 3.921 0 30 CHAC Oc1nc(C(F)(F)F)cc2ccc(Br)cc12 642884594 AHLCETGBHNXHLS-UHFFFAOYSA-N 292.054 3.722 0 30 CHAC CN(C)c1ccc(NC(=O)Nc2ccccc2F)cc1 158168 TWOUSLUAQVQTKY-UHFFFAOYSA-N 273.311 3.536 0 30 CHAC CC1(C)CC(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)C1 2157256 WYCKEBPBGDQGOU-UHFFFAOYSA-N 286.158 3.673 0 30 CHAC Brc1nnc(SCc2ccccc2)s1 81665565 OMLJNMSYOMPGBU-UHFFFAOYSA-N 287.207 3.593 0 30 CHAC CC1(C)[C@@H]2CC[C@]1(C)[C@@H](OCc1ccccc1)[C@H]2OC=O 263589771 RLHWKPHEDMEOHF-MUQADHOPSA-N 288.387 3.570 0 30 CHAC O=C1c2cc(Cl)ccc2CC[C@@H]1c1cccnc1 3708 RCBZARSYIFQZOX-CYBMUJFWSA-N 257.720 3.648 0 30 CHAC Cc1ccc2nc(-c3c(F)cccc3Cl)oc(=O)c2c1 150462 CHZQTRGIKXCURE-UHFFFAOYSA-N 289.693 3.956 0 30 CHAC Clc1cc(Cl)cc(NC2=NCCCS2)c1 165041 BLZPNWLJVFTAFY-UHFFFAOYSA-N 261.177 3.898 0 30 CHAC O=C1C[C@@H](c2cccc(Br)c2)C12CCC2 700921006 IBLUUGYEPAKIPH-NSHDSACASA-N 265.150 3.676 0 30 CHAC CC(=O)c1sc(-c2ccc(F)cc2F)nc1C 142927 USFOMBZENAQSQM-UHFFFAOYSA-N 253.273 3.599 0 30 CHAC O=C1c2ccccc2-c2c1cnc1c(-c3ccccc3)cnn21 156263 AJTBZQFTOIIXKM-UHFFFAOYSA-N 297.317 3.608 0 30 CHAC CC(C)=CC(=O)NCCSCc1ccc(Cl)cc1 4390593 YQQYZJMHHOOIIR-UHFFFAOYSA-N 283.824 3.656 0 30 CHAC O=S(=O)(O)c1c(Cc2ccccc2)ccc2ccccc12 33506029 CBCZQJLYYRPMRI-UHFFFAOYSA-N 298.363 3.677 0 30 CHAC C[C@@H](C(=O)O)c1ccc2oc(-c3ccc(F)cc3)nc2c1 2271 ARPYQKTVRGFPIS-SECBINFHSA-N 285.274 3.822 0 30 CHAC CNc1ccccc1C(=O)N[C@H]1C[C@H](C)CC(C)(C)C1 4306904 ICJCYXSBCJCKBU-STQMWFEESA-N 274.408 3.673 0 30 CHAC Clc1ccc(CN2CC[C@@]3(CCCNC3)C2)cc1Cl 573608492 SQBYRDICJDVYRZ-OAHLLOKOSA-N 299.245 3.569 0 30 CHAC N[C@H](CC(O)(c1ccccc1)c1ccccc1)c1ccco1 2019059 FVARIOYYFNHHHX-QGZVFWFLSA-N 293.366 3.606 0 30 CHAC CC[C@](C)(CC(=O)O)CC(=O)Nc1ccc(Cl)cc1 101079 UBHQHOZRPUWLAC-AWEZNQCLSA-N 283.755 3.560 0 30 CHAC Cc1nsc2nc(-c3ccc(Br)cc3)cn12 39325874 KFHDPNSLRPLBSE-UHFFFAOYSA-N 294.177 3.529 0 30 CHAC CC(C)C[C@H](C)OP(=O)(O)O[C@H](C)CC(C)C 44712497 YGTBMOOSDOYPEI-TXEJJXNPSA-N 266.318 3.989 0 30 CHAC CC12CC(C(=O)O)(C1)[C@@H](c1ccc(Cl)c(Cl)c1)O2 2265385790 UQXJDWOGSIVMFF-QFWMXSHPSA-N 287.142 3.688 0 30 CHAC Cn1cc2c(C(=O)O)c(-c3ccc(Cl)cc3)ccc2n1 607717065 VQYBWRFIHDPJKG-UHFFFAOYSA-N 286.718 3.592 0 30 CHAC O=C(O)c1cc(-c2ccncc2F)[nH]c1-c1ccccc1 45821259 WDJUSAQAZXHDEC-UHFFFAOYSA-N 282.274 3.581 0 30 CHAC CN(C)c1ccc(Br)cc1C(F)(F)F 2556963 JBENHPHSGKJMIR-UHFFFAOYSA-N 268.076 3.534 0 30 CHAC O=C(/C=C/c1cccc2ccccc12)N1CCCCC1 164820 RYEDDBQSQGAGHC-VAWYXSNFSA-N 265.356 3.866 0 30 CHAC CC(C)[C@H]1CC[C@@H](C)C[C@H]1[C@@H](Br)C(=O)O 256653753 KDQKNIUYOVWSPY-GWOFURMSSA-N 277.202 3.543 0 30 CHAC CCOC(=O)c1csc(COc2ccccc2Cl)n1 120671 IOTLOUSUXAJYDX-UHFFFAOYSA-N 297.763 3.552 0 30 CHAC CCc1cc(Cl)ccc1I 709894481 WZQVLAYUCSAADY-UHFFFAOYSA-N 266.509 3.507 0 30 CHAC COc1ccc(F)cc1COc1ncc(SC)s1 1535136945 NGUSEPCKXXMGMW-UHFFFAOYSA-N 285.365 3.592 0 30 CHAC CCc1cccc2c(CCNC(=O)OC(C)(C)C)c[nH]c12 95616818 BRAVKPSKQKYAAK-UHFFFAOYSA-N 288.391 3.798 0 30 CHAC c1ccc(CSc2ccc3nccnc3c2)cc1 221282633 DOCZTXKBVGGKKH-UHFFFAOYSA-N 252.342 3.922 0 30 CHAC O=C(Nc1ccc(Cl)cc1)c1cccc2nsnc12 12341006 LTNHVWAHQLWXQV-UHFFFAOYSA-N 289.747 3.597 0 30 CHAC C[C@@H](CCCC(C)(C)O)C[C@H](O)OCCc1ccccc1 33609204 LWPLJHROTQIHMD-DOTOQJQBSA-N 294.435 3.532 0 30 CHAC CCOC(=O)CCc1ccc(SC(F)(F)F)cc1 106490510 WKKZSSRKIYKWET-UHFFFAOYSA-N 278.295 3.794 0 30 CHAC Cc1cc(C(F)(F)F)n2nc(-c3cccs3)cc2n1 96535 BGHPAZLYLKZYHQ-UHFFFAOYSA-N 283.278 3.785 0 30 CHAC O=C(COc1ncnc2cc(Cl)ccc12)c1ccccc1 154258 PHDZFQRHQKTMOQ-UHFFFAOYSA-N 298.729 3.545 0 30 CHAC CN(C)CCc1cn(-c2ccccc2)c2ccccc12 1851675 NCRAHYGLLDWEAM-UHFFFAOYSA-N 264.372 3.735 0 30 CHAC CCN(CC)CCOC[C@@H]1C(C)=CC[C@H]2[C@@H]1C2(C)C 5572777 PULVHGXFJNZOLV-OWCLPIDISA-N 265.441 3.583 0 30 CHAC O=c1[nH]c2ccccc2c2cn(-c3ccc(Cl)cc3)nc12 13809637 AXFIIVHPUHXMCS-UHFFFAOYSA-N 295.729 3.520 0 30 CHAC CCOC(=O)[C@H](C)c1cccc(OCc2ccccc2)c1 260046635 AFFQVJUIUAKEGQ-CQSZACIVSA-N 284.355 3.932 0 30 CHAC C[C@H](NC(=O)OC(C)(C)C)c1ccc2[nH]ccc2c1 953095679 ZQUOZFURPYJOBQ-JTQLQIEISA-N 260.337 3.754 0 30 CHAC COc1cc(CC[C@H](C)NCc2ccccc2)ccc1O 132932 GEKRZHUGDNWIIB-AWEZNQCLSA-N 285.387 3.512 0 30 CHAC CC(C)c1ccc2occ(Br)c(=O)c2c1 2573979 BVJANZCDQUJALY-UHFFFAOYSA-N 267.122 3.679 0 30 CHAC Cc1cc2cc(Cl)ccc2c(Br)n1 642884647 DGSUAJBESMUBRW-UHFFFAOYSA-N 256.530 3.959 0 30 CHAC CCSc1c(C(=O)OC)c(Cl)cc2ncccc12 958719674 WPUXNOHKRQLGLQ-UHFFFAOYSA-N 281.764 3.787 0 30 CHAC N[C@@H](Cc1ccccn1)c1ccc(Cl)c(Cl)c1 20429129 JAZGEBAOEXMBCJ-ZDUSSCGKSA-N 267.159 3.631 0 30 CHAC CN(C)CC[C@@H](O)c1ccc(-c2ccc(Cl)cc2)cc1 2005609 ANSGWMFERFVEAF-QGZVFWFLSA-N 289.806 3.992 0 30 CHAC CC(C)[C@@H](c1ccccc1)[C@@H](O)CCN1CCCCC1 33903719 KJCWLPLAURMCOC-ROUUACIJSA-N 275.436 3.663 0 30 CHAC in-man Fc1cccc(-c2cn3cc(Br)sc3n2)c1 39325783 IQFWROVHFGFOMY-UHFFFAOYSA-N 297.152 3.964 0 30 CHAC Clc1cccc(Cl)c1-c1noc(-c2ccno2)n1 78510 WBQCNKBJEUGDSX-UHFFFAOYSA-N 282.086 3.698 0 30 CHAC CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NC(=O)C1CCCCC1 162250 PUPLCQGDWYFLPV-YSVLISHTSA-N 263.425 3.898 0 30 CHAC Cc1ccc(S/C(=C\c2ccccc2)C(N)=O)cc1 17042251 DQEGXGSBWKTADQ-PTNGSMBKSA-N 269.369 3.614 0 30 CHAC Clc1nc(Cl)nc(-c2ccc3ccccc3c2)n1 88674586 ZAARQOHTIYBPNJ-UHFFFAOYSA-N 276.126 3.999 0 30 CHAC NCCO[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 3609274 ZBBVHMNIPBVCRP-OAHLLOKOSA-N 279.742 3.544 0 30 CHAC in-man O=C1C[C@H](c2cccc(Br)c2)C12CCC2 700921003 IBLUUGYEPAKIPH-LLVKDONJSA-N 265.150 3.676 0 30 CHAC COc1c(C)c(OCc2ccccc2)cc(C)c1C=O 142319573 OGKZUQGNTDHUDE-UHFFFAOYSA-N 270.328 3.704 0 30 CHAC Cc1cc(-c2ccccc2C(=O)NC2CCCCC2)on1 156735 WWBWHPMXKLKGFZ-UHFFFAOYSA-N 284.359 3.713 0 30 CHAC CC(C)(C)NNC(=S)Nc1cc(Cl)ccc1Cl 150427 JPXNYCQQDIORIS-UHFFFAOYSA-N 292.235 3.583 0 30 CHAC CN1N=C2c3ccccc3CC[C@H]2[C@H]1c1ccc(F)cc1 4377758 AZAOLKIXRBAKQR-SJLPKXTDSA-N 280.346 3.779 0 30 CHAC CCOC(=O)c1cc(C(C)(C)C)n(CCSC)c1C 4390702 BHJBIQJFJXJCID-UHFFFAOYSA-N 283.437 3.634 0 30 CHAC COc1ccc(CC(C)C)c2c1CCC[C@@H]2N(C)C 198702980 ILFCIRYEOGUUNC-HNNXBMFYSA-N 261.409 3.833 0 30 CHAC Cc1ccc2c(c1)C=Cc1ccccc1N2C(N)=O 119934 WLUGVRXHDCWYLA-UHFFFAOYSA-N 250.301 3.696 0 30 CHAC in-vitro Cc1nnsc1-c1nc(-c2ccc(F)cc2)cs1 139101 QWNINUUGAQOOOU-UHFFFAOYSA-N 277.349 3.776 0 30 CHAC CC(C)=CCN1CCC2(CCc3ccccc32)CC1 1493276 ULBZOYYHHRLQMV-UHFFFAOYSA-N 255.405 3.933 0 30 CHAC Cc1noc(C)c1-c1nc(CSc2ccccc2)no1 106438 DVXZVCYTOHJSIM-UHFFFAOYSA-N 287.344 3.634 0 30 CHAC Cc1ccc2nccc(Br)c2c1Cl 72232975 BJXIQMNBPXLBGO-UHFFFAOYSA-N 256.530 3.959 0 30 CHAC CC(C)(C)OC(=O)Nc1cscc1Br 2575614 PBMARQLXQZRXFG-UHFFFAOYSA-N 278.171 3.858 0 30 CHAC in-vitro N[C@H](c1ccc(Cl)cc1)c1cccc(OC(F)F)c1 37308781 KYQFZIUJXKGZHE-CYBMUJFWSA-N 283.705 3.990 0 30 CHAC COc1ccc2nc(-c3ccc(N)cc3)sc2c1 1652792 KLRFVKNLVPQVIN-UHFFFAOYSA-N 256.330 3.554 0 30 CHAC O=C(NC=Cc1ccccc1)NCc1ccc(Cl)cc1 2265270109 XKOIGPNWWVCRSB-UHFFFAOYSA-N 286.762 3.810 0 30 CHAC C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)CCC[C@]12O 34114515 ICLRFACJGMUUQI-FPNLOETNSA-N 292.463 3.895 0 30 CHAC O=c1oc(-c2ccccc2)c2ccc3ccccc3n12 39136268 PHBYDKAJICPOKA-UHFFFAOYSA-N 261.280 3.713 0 30 CHAC Oc1c(Cl)cc(Br)c2ccccc12 139467686 JFEQJWNWRKCUBV-UHFFFAOYSA-N 257.514 3.961 0 30 CHAC COc1ccc(-c2csc(-c3cc(C)on3)n2)cc1 123811 ODOWLMQSPMXKIG-UHFFFAOYSA-N 272.329 3.782 0 30 CHAC Cc1cc(C)c2cc(C(=O)NCc3ccccc3)[nH]c2c1 171599 LASLECKNSPGHHE-UHFFFAOYSA-N 278.355 3.715 0 30 CHAC O=C(OCc1ccccc1)c1ccc2ncccc2c1 128326678 GTMKPWVWSRKHAD-UHFFFAOYSA-N 263.296 3.592 0 30 CHAC COC(=O)C(=Cc1cccs1)CC(=O)c1ccccc1 4060204 CLEOGCLKXZWVRN-UHFFFAOYSA-N 286.352 3.578 0 30 CHAC Fc1cc(F)cc(Cc2nc(-c3cccs3)no2)c1 3078842 SLTDZGMPEQQETH-UHFFFAOYSA-N 278.283 3.667 0 30 CHAC Cn1c(Cn2c3ccccc3c3ccccc32)n[nH]c1=S 15924327 IJTCUQCTNPSRDK-UHFFFAOYSA-N 294.383 3.634 0 30 CHAC C[C@@H]([C@@H](O)c1ccc(-c2ccccc2)cc1)n1ccnc1 13209486 PVWFUCRYWYDOJS-KBXCAEBGSA-N 278.355 3.845 0 30 CHAC O=C(Sc1c(Cl)cccc1Cl)N1CCOCC1 127549 FDMMAJRKUHZFPD-UHFFFAOYSA-N 292.187 3.538 0 30 CHAC O=C(Cn1ccnc1)c1ccccc1Sc1ccccc1 5425491 QTAUPHSZDMPWSH-UHFFFAOYSA-N 294.379 3.917 0 30 CHAC CN(C)C/C=C(\c1ccccc1)c1ccc(F)cc1 31320106 AFPIPXOMKSOJBH-SFQUDFHCSA-N 255.336 3.819 0 30 CHAC Cc1ccc(Br)c2c(Cl)ccnc12 37369349 PMUBCBSGOUMVIZ-UHFFFAOYSA-N 256.530 3.959 0 30 CHAC Cc1ccc2nc(C(F)(F)F)cc(OCCN(C)C)c2c1 169435 SRZRWHAHIKMWIJ-UHFFFAOYSA-N 298.308 3.502 0 30 CHAC CCCC[C@@H](C)O[S@@](=O)(=S)c1ccc(C)cc1 100287356 KQKKQHBXEGNXSD-SJKOYZFVSA-N 272.435 3.611 0 30 CHAC CN1CCC2(CC1)c1ccccc1Oc1ccccc12 26396167 QDXDWSOYUJXAAG-UHFFFAOYSA-N 265.356 3.804 0 30 CHAC C=Cc1ccc(I)cc1Cl 59330770 OPFRQNKPENILMZ-UHFFFAOYSA-N 264.493 3.588 0 30 CHAC O=C1Nc2c(Cl)ccc(O)c2C2(CCCCC2)O1 2265384615 AUAKOPKKBQRZQH-UHFFFAOYSA-N 267.712 3.767 0 30 CHAC CC(=O)c1ccccc1OC(=O)c1c(F)cccc1Cl 140712 FJLAZSZPKXQTDU-UHFFFAOYSA-N 292.693 3.901 0 30 CHAC CC(C)(C)[Si](C)(C)n1ccc2cc(C=O)cnc21 198020449 UMGKSIMKZKVRNT-UHFFFAOYSA-N 260.413 3.702 0 30 CHAC COc1ccc(-c2ccnc(-c3cccs3)n2)cc1 119749 HTTULCOMEJTDSN-UHFFFAOYSA-N 268.341 3.881 0 30 CHAC CN(C(=O)CF)c1cc(Cl)c(Cl)cc1Cl 2030958 DVNXDHROJIFEFM-UHFFFAOYSA-N 270.518 3.579 0 30 CHAC Brc1ccc2c(c1)NCC21CCCC1 107254523 KHKSJSOSYAFRQP-UHFFFAOYSA-N 252.155 3.686 0 30 CHAC Cc1ccc(Cl)cc1NC(=S)NCc1ccncc1 79501 MVLXCXBQTHQWOB-UHFFFAOYSA-N 291.807 3.530 0 30 CHAC C[C@@H](O)c1cc(-c2ccc(Cl)cc2Cl)no1 123927 YHWJHQCSLOHOMN-ZCFIWIBFSA-N 258.104 3.702 0 30 CHAC Cc1cc(Br)cc(C)c1NCC(F)F 37755828 CTQGARNFPUPOFX-UHFFFAOYSA-N 264.113 3.743 0 30 CHAC in-vitro FC(F)(F)c1nc(-c2cccc(Br)c2)no1 380486667 ZSRRYVCQQOTWSM-UHFFFAOYSA-N 293.042 3.518 0 30 CHAC c1ccc([C@H]2Nc3ccccc3[C@@H]2C2CCNCC2)cc1 4202600 XYKATSPCYLYIKN-RBUKOAKNSA-N 278.399 3.937 0 30 CHAC C[C@]12C=CC(=O)C=C1CC[C@@H]1C2=CC[C@]2(C)C(=O)CC[C@@H]12 38439170 NNPWVPDIRNJLIN-LNMJFAINSA-N 282.383 3.784 0 30 CHAC C[C@@H]1CCc2cc(CN(C)C(=O)OC(C)(C)C)ccc2N1 2265385149 HTFCPDJKRWVQQU-GFCCVEGCSA-N 290.407 3.800 0 30 CHAC O=C(CSc1cccs1)Nc1ccc(F)cc1F 125000 NEKLHTOBPZMDFN-UHFFFAOYSA-N 285.340 3.757 0 30 CHAC CSc1ccc(Cl)cc1NC(=O)c1c(C)noc1C 109629 UIDYWUIJEAXFJE-UHFFFAOYSA-N 296.779 3.919 0 30 CHAC CCN(CC)CCOC[C@@H]1C(C)=CC[C@@H]2[C@H]1C2(C)C 31545538 PULVHGXFJNZOLV-OAGGEKHMSA-N 265.441 3.583 0 30 CHAC COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)C=C[C@@H]12 36458248 KAECVEVIXKMEOP-FQBWVUSXSA-N 284.399 3.688 0 30 CHAC Fc1cc2nccc(Cl)c2cc1Br 146904235 QIBVJFPEFQGSCW-UHFFFAOYSA-N 260.493 3.790 0 30 CHAC Cc1nc(Nc2nc(C)c(C)s2)cc(-c2ccccn2)n1 2265384787 YOIHSCSHVUZDON-UHFFFAOYSA-N 297.387 3.664 0 30 CHAC O=C1C[C@H](c2ccsc2)Sc2ccccc2N1 110000 ZELJLEHIPUUKJD-GFCCVEGCSA-N 261.371 3.924 0 30 CHAC C[C@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@H](N)CC[C@@]43C)[C@H]1CC[C@H]2O 245232507 WMEBIWWUBWHAOJ-QUYDQFLLSA-N 291.479 3.717 0 30 CHAC Cc1cc(Oc2ncccc2C(=O)O)cc(C)c1Cl 91926 GSFYJKUKONWFBO-UHFFFAOYSA-N 277.707 3.842 0 30 CHAC BrC=C1CC(OCc2ccccc2)C1 716161731 PFTVPTFASSNVMR-UHFFFAOYSA-N 253.139 3.644 0 30 CHAC COc1ccc([C@H]2Nc3cc(C)ccc3O2)cc1OC 4307020 UFEMTFFLDQGWNY-INIZCTEOSA-N 271.316 3.515 0 30 CHAC Cc1cc(F)ccc1NC(=O)C=Cc1ccc2c(c1)OCO2 2265239520 QZFGZMHFNZEVLD-UHFFFAOYSA-N 299.301 3.515 0 30 CHAC O=C(c1cc(Cl)nc(Cl)c1)c1cccs1 2525005 ITEPKVHHFJWYTF-UHFFFAOYSA-N 258.129 3.681 0 30 CHAC Cc1cc(C)cc(NC(=O)Nc2nnc(C3CC3)s2)c1 4324848 VKDVZGFDABJIJA-UHFFFAOYSA-N 288.376 3.676 0 30 CHAC COc1ccc(C2SCCCS2)cc1OC 15041878 BYSFFOIEDQTZBD-UHFFFAOYSA-N 256.392 3.573 0 30 CHAC COc1ccc(-c2ccc(N)cc2C(F)(F)F)cc1 40443155 XHPAVAMAWJIYLS-UHFFFAOYSA-N 267.250 3.963 0 30 CHAC CC(C)(C)OC(=O)Nc1ccc2c(c1)CCCC2=O 59063008 MMPJJEUWBFZCPO-UHFFFAOYSA-N 261.321 3.553 0 30 CHAC in-vitro Brc1csc(NCc2ccccc2)n1 86278548 NOAPLNAFBYNDSJ-UHFFFAOYSA-N 269.167 3.518 0 30 CHAC CC(=O)O[C@H](C)[C@H]1C[C@H]2C=C(C)[C@H]1C[C@@H]2C(C)C 111906007 FBJZZRLZTRJKPC-JPIRQXTESA-N 250.382 3.813 0 30 CHAC Cc1c(C(=O)Nc2ccccc2)cnn1-c1ccc(F)cc1 152477 RQGMWCHOFZEUDE-UHFFFAOYSA-N 295.317 3.572 0 30 CHAC CCCCCCO[C@H]1CCC(=O)N1Cc1ccccc1 33900702 HUPJVMGZLNGJJK-KRWDZBQOSA-N 275.392 3.732 0 30 CHAC Cc1cc(O)c(C)c2sc(NCc3cccnc3)nc12 7872 WNYIJFWJLXADJB-UHFFFAOYSA-N 285.372 3.626 0 30 CHAC C[C@@H](Cn1ccnc1)[C@@H](O)c1ccc(-c2ccccc2)cc1 13209482 CLXBBIBLVPFFJA-HNAYVOBHSA-N 292.382 3.920 0 30 CHAC CC(C)(NC1CCC1)c1ccc(Br)cc1 44481601 XMPBISYBMOGVGQ-UHFFFAOYSA-N 268.198 3.826 0 30 CHAC in-vitro CO[C@@H]1CCC[C@H]([C@@]2(C)[C@H]3CC[C@@H](C3)C2(C)C)[C@@H]1O 256090777 RGGISOXPWGFYBO-DRBMSFERSA-N 266.425 3.625 0 30 CHAC COc1cc2c(Cl)ccnc2cc1C(F)(F)F 32266685 WRJAPOKMQVAINS-UHFFFAOYSA-N 261.630 3.916 0 30 CHAC CC(C)(C)c1cc2cccc(Br)n2c1 44137800 ISGMVRCKLIWSCR-UHFFFAOYSA-N 252.155 3.999 0 30 CHAC O=C(O)[C@@H](c1ccccc1-c1ccccc1)C1(O)CCCC1 223703343 PCQFKMOZFOCHPH-QGZVFWFLSA-N 296.366 3.827 0 30 CHAC COc1ccc([C@H]2OCC(C)(C)[C@H](C(C)C)O2)cc1 1641666 SAPSRDCAWQTFLZ-GJZGRUSLSA-N 264.365 3.791 0 30 CHAC COc1cc(Br)cc(C)c1Br 6069941 KAZLSZRLSZFBIF-UHFFFAOYSA-N 279.959 3.529 0 30 CHAC Cc1ccc(N)cc1Nc1nccc(-c2ccccc2)n1 90598584 XPNPAUBWIKWBGV-UHFFFAOYSA-N 276.343 3.778 0 30 CHAC Brc1ccccc1[C@]12CCCC[C@@H]1O2 299805378 LFDBJYOWBFFESF-NWDGAFQWSA-N 253.139 3.617 0 30 CHAC CC(C)(C)OC(=O)Nc1ccc(C(C)(C)CC(=O)O)cc1 258555180 NSHKQAJYUDSBFT-UHFFFAOYSA-N 293.363 3.786 0 30 CHAC COC(=O)[C@H](C)[C@@H]1CCc2c([nH]c3ccc(Cl)cc23)C1 514277782 JKYDVVPZEAJPIC-NXEZZACHSA-N 291.778 3.735 0 30 CHAC Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(F)cc1 148156 MSYLOBXTYIPHSC-UHFFFAOYSA-N 290.342 3.501 0 30 CHAC CCC1N(Cc2ccccc2)CCN1Cc1ccccc1 19324780 PVPRJONDIASPBG-UHFFFAOYSA-N 280.415 3.741 0 30 CHAC Cc1ccc2nc(-c3cc(-c4ccccc4)no3)cn2c1 154715 FCTSBNQGQACUQF-UHFFFAOYSA-N 275.311 3.965 0 30 CHAC CC(C)C[C@@](C)(N)c1cccc(Br)c1 37380143 XBGDYHXTNOZGNS-GFCCVEGCSA-N 256.187 3.669 0 30 CHAC in-vitro COc1cc(Br)cc(F)c1C(F)F 116715915 QPXMPDLUOWSPTB-UHFFFAOYSA-N 255.033 3.534 0 30 CHAC C[Si](C)(C)C#Cc1cc(F)cc(Br)c1 203801689 DKFCWUBVLBSQJO-UHFFFAOYSA-N 271.205 3.817 0 30 CHAC CCOC(=O)CSc1cc(C)c(Cl)cc1C 91884 AGEDOGMKXQYOBR-UHFFFAOYSA-N 258.770 3.612 0 30 CHAC C[C@@H](NCC(F)(F)F)c1cccc(Br)c1 19473301 HYQQJUQVOJODOM-SSDOTTSWSA-N 282.103 3.662 0 30 CHAC Fc1cc(Br)c2nc(Cl)nc(Cl)c2c1 218550693 UOTCZWJWYOPOMP-UHFFFAOYSA-N 295.926 3.838 0 30 CHAC Cc1cccc2c1-c1ccc(Br)cc1C2=O 254286872 MZOQGXVQHHHGBS-UHFFFAOYSA-N 273.129 3.969 0 30 CHAC C[C@H]([C@@H](O)c1ccccc1)N(C)C/C=C/c1ccccc1 1998378 YMJMZFPZRVMNCH-XHXAYMJASA-N 281.399 3.754 0 30 CHAC in-man Ic1cccc(Cc2ccccc2)c1 198863985 CVOCNBOEEZABJG-UHFFFAOYSA-N 294.135 3.882 0 30 CHAC CCOC(=O)c1cccc([C@H](C)NCc2ccccc2)c1 1772820811 FEGNRPWWYOBTMP-AWEZNQCLSA-N 283.371 3.714 0 30 CHAC c1ccc2[nH]c(CSCc3nc4ccccc4[nH]3)nc2c1 392038 PLROPLMRAPJFHZ-UHFFFAOYSA-N 294.383 3.873 0 30 CHAC CCCc1cc(=O)c2ccc(Cl)c(Cl)c2[nH]1 32099927 VYTVBTLWBVDRTI-UHFFFAOYSA-N 256.132 3.787 0 30 CHAC C/C=C(\C)C(=O)Nc1cc(C)ccc1-n1cccc1 68181 FIIXXEPFKKSGMA-YIXHJXPBSA-N 254.333 3.690 0 30 CHAC CCOC(=O)c1sc(SC(C)C)c2c1CCCC2=O 4349538 CMDNLAPAEVHOQL-UHFFFAOYSA-N 298.429 3.944 0 30 CHAC CCC[C@H](C)[C@@H](O)C(Cl)(Cl)[Si](C)(C)C 196503160 SSUALHCFYMRLAJ-DTWKUNHWSA-N 257.277 3.835 0 30 CHAC CC(=O)N1N=C2c3ccccc3CC[C@H]2[C@H]1c1cccs1 4335034 VFMHBYYFZDIOHQ-PBHICJAKSA-N 296.395 3.618 0 30 CHAC CCC[C@@H](O)C1(C(=O)Cc2ccccc2)CCCC1 32217153 PQORQXIDHJKRBM-OAHLLOKOSA-N 260.377 3.520 0 30 CHAC CCCCOc1ccc(CCOCCN(CC)CC)cc1 3610053 PLAZAZSYDFEYMV-UHFFFAOYSA-N 293.451 3.766 0 30 CHAC Cc1[nH]c2ccccc2c1CCN1CCCC[C@@H]1C 33866203 FFOSNISOYHKFNP-ZDUSSCGKSA-N 256.393 3.893 0 30 CHAC CC(C)N1CCO[C@](C)(c2cccc3ccccc23)C1 33883648 IPAUXXNHTOHEGT-SFHVURJKSA-N 269.388 3.796 0 30 CHAC OCc1ccc(Br)c(OCc2ccccc2)c1 38874409 KSNJBZROFYUGIC-UHFFFAOYSA-N 293.160 3.520 0 30 CHAC O=C(Nc1cnccc1C(F)(F)F)NC1CCCCC1 77374 OHDRGEMIPORPIW-UHFFFAOYSA-N 287.285 3.555 0 30 CHAC COc1ccc2c(=O)c3ccoc3n(CC=C(C)C)c2c1 900127 GARIOWCJZYSSOE-UHFFFAOYSA-N 283.327 3.723 0 30 CHAC biogenic,in-vitro O=C(O)[C@@H](c1ccccc1)c1ccc(Br)cc1 5487536 YNCBITWCPFWJJG-ZDUSSCGKSA-N 291.144 3.666 0 30 CHAC FC1(F)Oc2ccc(NC3CCCCC3)cc2O1 21515649 LAQQPXFNSOHELS-UHFFFAOYSA-N 255.264 3.753 0 30 CHAC O=C1c2ccccc2[C@H]2CC(c3ccc(Cl)s3)=NN12 101334 UJUZWUTXTPOEFV-LLVKDONJSA-N 288.759 3.706 0 30 CHAC O=c1c(C(F)(F)F)cccn1Cc1ccc(Cl)cc1 126946 MQQXOYLSZOYLQA-UHFFFAOYSA-N 287.668 3.569 0 30 CHAC CCOC(=O)N1CCC[C@H]1c1cccc(Br)c1 70263815 DFVODUBHJPCXQT-LBPRGKRZSA-N 298.180 3.743 0 30 CHAC O=Cc1cn(Cc2ccc(F)cc2F)c2ccccc12 80333276 XTMPDXFVMDHERE-UHFFFAOYSA-N 271.266 3.780 0 30 CHAC O=C(O)c1cncc(Nc2ccc3ccccc3c2)c1 82717218 XYMPKFTZDSHJHE-UHFFFAOYSA-N 264.284 3.677 0 30 CHAC CC(=O)c1sc(COc2ccccc2Cl)nc1C 121275 DAJOBEZAIPAUKG-UHFFFAOYSA-N 281.764 3.887 0 30 CHAC CNCc1cc(F)ccc1Oc1cc(F)cc(F)c1 54933429 OOAFFPJDTOTJFZ-UHFFFAOYSA-N 267.250 3.616 0 30 CHAC COC(=O)/C=C/c1ccc(OCc2ccccc2)cc1C 95937774 OWINRQZPPUCHCF-PKNBQFBNSA-N 282.339 3.760 0 30 CHAC CSc1sc(-c2nnc(S)n2C)c2c1C=CCC2 15919738 HDQFCXZLXZGTJP-UHFFFAOYSA-N 295.458 3.514 0 30 CHAC Clc1ccccc1CNCCc1cccs1 19948380 KEOKHDKWKYGPGO-UHFFFAOYSA-N 251.782 3.734 0 30 CHAC Cc1cccc(C2=N[C@@H](CCN(C)C)Cc3ccccc32)c1 33885662 HBLVLCNGWBWPRJ-SFHVURJKSA-N 292.426 3.709 0 30 CHAC Fc1cc(Br)cc2c(Cl)nccc12 123716542 JGVCCYWNGDXMBB-UHFFFAOYSA-N 260.493 3.790 0 30 CHAC COc1cccc2cc(C)c(-c3ccccc3O)nc12 1081287919 QIOFYFVPTMARMC-UHFFFAOYSA-N 265.312 3.924 0 30 CHAC C[C@@H]1C[C@H](NC(=S)N[C@@H]2C[C@H]3C=C[C@H]2C3)CC(C)(C)C1 100234539 QYTZDQJSDAFAGU-CAEXGNQWSA-N 292.492 3.630 0 30 CHAC CCOC(=O)c1n[nH]cc1-c1ccc(Cl)cc1Cl 78094 CCNKBRCHOPBGGW-UHFFFAOYSA-N 285.130 3.560 0 30 CHAC CC1=CC(=O)N(c2ccc(C3CCCCC3)cc2)C1=O 100407 LFBIENRIJJGHQO-UHFFFAOYSA-N 269.344 3.554 0 30 CHAC CC(=O)c1csc(Nc2ccc(Cl)cc2)n1 122637 DQXYGEOCHXLMRH-UHFFFAOYSA-N 252.726 3.743 0 30 CHAC CC[C@@H](C(=O)O)c1ccc(Br)c(Cl)c1F 233844165 LEQKKDZUIZUENE-RXMQYKEDSA-N 295.535 3.820 0 30 CHAC COc1cc([N+]#N)c(Cl)cc1Nc1ccccn1 38636641 SVIDUFKJSHYTMU-UHFFFAOYSA-N 261.692 3.972 0 30 CHAC Cc1nnsc1-c1nnc(-c2cccc3ccccc23)o1 154894 BVOJHGDPJFPCMI-UHFFFAOYSA-N 294.339 3.717 0 30 CHAC CCOc1ccc(C=CC(=O)Nc2ccc(F)cc2)cc1 2265279720 ZQLOGDUZMJWOHI-UHFFFAOYSA-N 285.318 3.876 0 30 CHAC COc1ccc2c(c1Cl)C[C@@]1(CCF)CCC(=O)C=C21 72233055 IYEKNFHQOLWOSA-INIZCTEOSA-N 294.753 3.997 0 30 CHAC CON=Cc1ccc(Sc2ccccc2Cl)nc1 254398635 MTSSCKHSGPTSLQ-UHFFFAOYSA-N 278.764 3.867 0 30 CHAC CCC[C@]1(c2cccc(OC(=O)C(C)C)c2)CCN(C)C1 3640636 MJMYFJLOESUOLS-SFHVURJKSA-N 289.419 3.621 0 30 CHAC CC(C)CNC(C)(C)C[C@@H](C)NC1CCCCC1 5759275 ZYRAUVPYOBILQC-CQSZACIVSA-N 254.462 3.712 0 30 CHAC CSc1nccc(=O)n1-c1ccccc1-c1ccccc1 95890153 NKWLRMQSIJTFMJ-UHFFFAOYSA-N 294.379 3.621 0 30 CHAC CC(C)(C)OC(=O)N1CC(C)(C)C(=O)c2ccccc21 98181469 UVIMEGQRBNTSHQ-UHFFFAOYSA-N 275.348 3.651 0 30 CHAC CCOC(=O)c1sc2ccc(OC)cc2c1Cl 133092 IIIBQHODUPGMNH-UHFFFAOYSA-N 270.737 3.740 0 30 CHAC CC(C)c1nc(-c2ccc(-c3ccno3)s2)no1 12368980 HPRYEQZTZBAUAQ-UHFFFAOYSA-N 261.306 3.577 0 30 CHAC CC1(C)[C@@H]2CC[C@]1(C)[C@H](OCc1ccccc1)[C@@H]2OC=O 100082648 RLHWKPHEDMEOHF-YFHUEUNASA-N 288.387 3.570 0 30 CHAC C1=C[C@@H](N2c3ccccc3Oc3ccccc32)COC1 1857792944 CEELGNHNDSOEHL-CYBMUJFWSA-N 265.312 3.885 0 30 CHAC O[C@@H](CNCc1csc2ccccc12)c1ccccc1 19924993 MXZJTIDEWVYZLC-INIZCTEOSA-N 283.396 3.725 0 30 CHAC CC(C)CCCCCc1ccccc1OCCO 142148782 SMCOUSXSTLPDQA-UHFFFAOYSA-N 250.382 3.817 0 30 CHAC CCCc1ccc(OC(=O)c2ccc(OC)cc2)cc1 5844667 YQNHZOBOLKKSLP-UHFFFAOYSA-N 270.328 3.867 0 30 CHAC CCC[C@@H](C)[C@H](O)C(Cl)(Cl)[Si](C)(C)C 196503129 SSUALHCFYMRLAJ-BDAKNGLRSA-N 257.277 3.835 0 30 CHAC COc1ccc(C[C@@H]2CCc3ncc(C)cc3C2)cc1 86331 APMZPAFYMXPYJH-HNNXBMFYSA-N 267.372 3.746 0 30 CHAC COc1cccc(Sc2ccccc2)c1C(=O)O 33607847 ARKJMTOSOBNTRN-UHFFFAOYSA-N 260.314 3.545 0 30 CHAC Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CCO 40435058 WLTBUGHQTZWMKY-UHFFFAOYSA-N 287.306 3.672 0 30 CHAC C[C@@H](c1ccccc1)N1CC[C@@H]1C(=O)OCc1ccccc1 96330755 CANYIAQWEWELJV-MAUKXSAKSA-N 295.382 3.565 0 30 CHAC CCCCCCc1cc2c(C)cc(=O)oc2cc1O 2144721 XYWUXVDEWJKWNX-UHFFFAOYSA-N 260.333 3.930 0 30 CHAC CN1CC=C2C(=C(c3ccccc3)c3ccccc32)C1 3643432 MQQMLLHBOKGEBN-UHFFFAOYSA-N 259.352 3.831 0 30 CHAC C[C@@H](NCC(F)(F)F)c1ccc(Br)cc1 19485190 JCOOCEPQIJXBCG-SSDOTTSWSA-N 282.103 3.662 0 30 CHAC Cc1cc(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)no1 121460 JRUNNWOXIGUFFJ-UHFFFAOYSA-N 295.220 3.719 0 30 CHAC Cc1cc(NC(=O)c2cc(Cl)sc2Cl)no1 141065 ZLJRRZXGSJTXNL-UHFFFAOYSA-N 277.132 3.604 0 30 CHAC COc1ccc2c(c1)C1=C(C)C3=CN(C)C=CC3=C(C)[C@H]1N2 223740349 FPTJZSMVQGCXST-LJQANCHMSA-N 292.382 3.936 0 30 CHAC C[C@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@H](N)CC[C@@]43C)[C@H]1CC[C@@H]2O 245232503 WMEBIWWUBWHAOJ-AVNVQCJHSA-N 291.479 3.717 0 30 CHAC O=C(Oc1ccccc1)c1ccc2ncsc2c1 169297 NANLKKYVIQZXLG-UHFFFAOYSA-N 255.298 3.516 0 30 CHAC CCOC(=O)CC/C=C/c1cccc(Br)c1 381574470 XUBURMZLJXVUDS-ZZXKWVIFSA-N 283.165 3.806 0 30 CHAC CCOC(=O)[C@]1(CCCCCc2ccc(Cl)cc2)CO1 1853739 DNORZUSMZSZZKU-INIZCTEOSA-N 296.794 3.775 0 30 CHAC CCCCSc1ccc(C(=O)Cn2ccnc2)cc1 5424239 GSPCMLVRSLMQTH-UHFFFAOYSA-N 274.389 3.658 0 30 CHAC CC(=O)O[C@]1(CC(C)C)C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 256083002 FPPRJKWGULBYSC-RBGFHDKUSA-N 250.382 3.791 0 30 CHAC CCc1sc(-c2ccc(Cl)cc2)nc1C(=O)OC 111163 MJGDHRLFHUMEAQ-UHFFFAOYSA-N 281.764 3.813 0 30 CHAC CN1C(=O)C[C@@H](c2ccsc2)Sc2ccccc21 172416 XHZINFIDIOZDDM-ZDUSSCGKSA-N 275.398 3.948 0 30 CHAC Cc1cc(C(=O)n2ccc(-c3cccs3)n2)c(C)o1 156429 CTIKVCPCILYUIF-UHFFFAOYSA-N 272.329 3.510 0 30 CHAC Nc1ccccc1C(=O)NCc1c(Cl)cccc1Cl 139852 WVCDEKWMBPVRPH-UHFFFAOYSA-N 295.169 3.506 0 30 CHAC O=C1C[C@@H](c2ccsc2)Sc2ccccc2N1 109998 ZELJLEHIPUUKJD-LBPRGKRZSA-N 261.371 3.924 0 30 CHAC CC1=Nc2ccc(S(=O)(=O)c3ccccc3)cc2C1(C)C 5306766 XMZRGAIXGAXJBU-UHFFFAOYSA-N 299.395 3.903 0 30 CHAC ON=Cc1ccc2noc(-c3ccc(Cl)cc3)c2c1 254872562 RDUFCPNLYHCHSI-UHFFFAOYSA-N 272.691 3.956 0 30 CHAC CCCCCC[C@@H](C)OC(=O)[C@H](C)Br 96347220 JRLNZNCOQCBRDL-ZJUUUORDSA-N 265.191 3.672 0 30 CHAC O=C1c2ccc(Br)cc2COc2ccccc21 59044493 PXFWGFRKWPAKIU-UHFFFAOYSA-N 289.128 3.573 0 30 CHAC CC(C)c1ccc([C@H](N)Cn2cnc3ccccc32)cc1 11849749 PAUABKUPJSAFRG-MRXNPFEDSA-N 279.387 3.860 0 30 CHAC CC1(C)CN[C@@H](c2ccccc2)N(Cc2ccccc2)C1 575440704 QHRQXXLEHALATF-GOSISDBHSA-N 280.415 3.817 0 30 CHAC CC[C@H](CCCC[C@@H]1CC[C@H]2CC(=O)C[C@H]21)OC 6002911 KDULJHFMZBRAHO-CLWVCHIJSA-N 252.398 3.977 0 30 CHAC in-man Cc1ccc([C@H](O)[C@@H](C)C(=O)c2ccccc2)cc1 21996847 VMHIDNSPRCRSKI-SUMWQHHRSA-N 254.329 3.547 0 30 CHAC Cc1ccc2cc(NC(=O)c3cccs3)ccc2n1 84498 FLQFQUVHUVHNEG-UHFFFAOYSA-N 268.341 3.857 0 30 CHAC CC[C@H](C)CC(=O)O[C@@H](C)[C@@H](C)OC(=O)C[C@@H](C)CC 33885937 GWNMIQRGDYKMPM-XDQVBPFNSA-N 286.412 3.722 0 30 CHAC CC(C)C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](CC(C)C)CN1 95752841 NBBAXAIIMROXQY-GJZGRUSLSA-N 298.471 3.656 0 30 CHAC CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[C@H](Br)C(=O)O 256653757 KDQKNIUYOVWSPY-ZNSHCXBVSA-N 277.202 3.543 0 30 CHAC CCCCN(CCCC)C(=O)c1ccccc1NC 32170979 PZKKEOMNHNBKCI-UHFFFAOYSA-N 262.397 3.771 0 30 CHAC Oc1ccc(F)cc1-c1csc(Nc2ccccn2)n1 96347729 OGMCFNDMUIEMTG-UHFFFAOYSA-N 287.319 3.793 0 30 CHAC CC(C)(C)OC(=O)n1cc([C@@H]2CCNC2)c2ccccc21 22015016 CNEARFWZIAPQEU-GFCCVEGCSA-N 286.375 3.501 0 30 CHAC Cc1ccc(NC(=O)c2cnccc2C(F)(F)F)cc1 77802 PZZYTEAZPIVVTI-UHFFFAOYSA-N 280.249 3.661 0 30 CHAC CCN(C=C(C#N)C(=O)C(C)(C)C)c1ccccc1 6710669 VRQITRYTLRXCDT-UHFFFAOYSA-N 256.349 3.536 0 30 CHAC O=C(O)c1ccc(CNc2cccc3c2CCCC3)cc1 38303894 WQSUESHUYSPBQE-UHFFFAOYSA-N 281.355 3.876 0 30 CHAC CCC(C)(C)c1ccc(I)cc1 90715114 MUOQEVVQYOEKOB-UHFFFAOYSA-N 274.145 3.979 0 30 CHAC in-vitro CC[C@@H](O)C(C[C@@H](C)NC)(c1ccccc1)c1ccccc1 5924344 KYHAUJGXNUJCTC-VQIMIIECSA-N 297.442 3.742 0 30 CHAC CC1=C(C)[C@H](Sc2ccc(Cl)cc2)OC1=O 205744657 AXBDVXGHDVZSOK-LBPRGKRZSA-N 254.738 3.651 0 30 CHAC Fc1cc2nc(Cl)sc2cc1Br 1535641957 UGCSTPXIODRBMO-UHFFFAOYSA-N 266.522 3.851 0 30 CHAC CCN(CC)CCOC(=O)Nc1c(C)cc(C)cc1C 1853822 VJULALUFTDTZCQ-UHFFFAOYSA-N 278.396 3.502 0 30 CHAC O=C(O)c1ccccc1-c1ccc(Cl)cc1F 94822272 ANTDOZHUPIWPON-UHFFFAOYSA-N 250.656 3.844 0 30 CHAC CCNc1nc(=S)[nH]c2sc3c(c12)CC[C@H](C)C3 157361 BBYHEWATEWNQNI-ZETCQYMHSA-N 279.434 3.910 0 30 CHAC Cc1ccccc1COc1ncc(Br)s1 238860533 ZTRCUNJRDNNBAT-UHFFFAOYSA-N 284.178 3.793 0 30 CHAC CCN(CC)CC(=O)N(c1ccccc1)c1ccccc1 251370 YNIZSAYAIAWYNE-UHFFFAOYSA-N 282.387 3.693 0 30 CHAC CC(C)(C)OC(=O)NCC1(c2ccc(Cl)cc2)CC1 242929039 GYGYMCWRHOWSIU-UHFFFAOYSA-N 281.783 3.896 0 30 CHAC CC(C)(C)c1cc(COC=O)cc(C(C)(C)C)c1O 33610679 JAVYTICZAGNGHS-UHFFFAOYSA-N 264.365 3.660 0 30 CHAC Fc1ccc(-n2nc3c(c2Cl)CCCC3)cc1 91584954 CVEILZOHJVKVNB-UHFFFAOYSA-N 250.704 3.544 0 30 CHAC C[C@@H]1C[C@@H](NC(=S)N[C@@H]2C[C@H]3C=C[C@H]2C3)CC(C)(C)C1 100234544 QYTZDQJSDAFAGU-GZBLMMOJSA-N 292.492 3.630 0 30 CHAC Cc1cccn(Cc2c(Cl)cccc2Cl)c1=O 141048 XSWLEFJRSUNIDG-UHFFFAOYSA-N 268.143 3.512 0 30 CHAC CNCc1ccc(-c2sccc2Br)cc1 12370824 JAQWWPQIUYWZIC-UHFFFAOYSA-N 282.206 3.897 0 30 CHAC O=C(Nc1ccc(Cl)cc1)[C@@H](O)c1ccccc1Cl 86324 ZLONRWWJTXIJLX-ZDUSSCGKSA-N 296.153 3.666 0 30 CHAC Cc1csc(-c2ccc(-c3csnn3)cc2)n1 106779 MBKAPZOPCULOBT-UHFFFAOYSA-N 259.359 3.637 0 30 CHAC CCc1ccc([C@@H](C)NCc2nc(C)c(C)o2)cc1 38012755 DBVBSLDCXYWWGI-GFCCVEGCSA-N 258.365 3.705 0 30 CHAC FC(F)c1nc2ccc(Br)cc2s1 218517446 FQYOIJAUQOJMBD-UHFFFAOYSA-N 264.094 3.996 0 30 CHAC COc1ccc([C@@H]2OCC(C)(C)[C@@H](C(C)C)O2)cc1 1641665 SAPSRDCAWQTFLZ-HUUCEWRRSA-N 264.365 3.791 0 30 CHAC CCN1CCC(OC(=O)Nc2c(C)cccc2Cl)CC1 2010136 UNVDLZFIUJGXJR-UHFFFAOYSA-N 296.798 3.681 0 30 CHAC C[S@](=O)c1ccc2c(c1)Nc1ccccc1S2 34265340 PKTNJPQVNOFHLC-QGZVFWFLSA-N 261.371 3.632 0 30 CHAC C=Cc1ccc(Br)cc1OC(F)(F)F 211946021 QRSUQNLJLAINAN-UHFFFAOYSA-N 267.044 3.991 0 30 CHAC CC(C)N1CCO[C@@](C)(c2cccc3ccccc23)C1 33883647 IPAUXXNHTOHEGT-GOSISDBHSA-N 269.388 3.796 0 30 CHAC N[C@H](Cc1cccnc1)c1ccc(Cl)c(Cl)c1 53147408 MNSBSXBFVRGVGG-CYBMUJFWSA-N 267.159 3.631 0 30 CHAC Clc1cc2nc3c(nc2cc1Cl)CCCC3 153838 QUYUZWLCINKFLB-UHFFFAOYSA-N 253.132 3.815 0 30 CHAC CC(C)C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](CC(C)C)CN1 95642336 NBBAXAIIMROXQY-HUUCEWRRSA-N 298.471 3.656 0 30 CHAC CC(C)(C)OC(=O)N1CCC(Oc2ccccc2F)CC1 95930000 VACFTPDKTBMOKP-UHFFFAOYSA-N 295.354 3.604 0 30 CHAC CCCC[C@@H]1CC(=O)CCN1C(=O)OCc1ccccc1 216141847 MSZPRILFLGSJTA-OAHLLOKOSA-N 289.375 3.547 0 30 CHAC CC1CCN(Cc2cc(Cl)c(O)c(Cl)c2)CC1 20413090 PWNTVHKRVRCOSH-UHFFFAOYSA-N 274.191 3.931 0 30 CHAC C[C@]12CC[C@@H]3c4ccc(N)cc4CC[C@H]3[C@H]1CCC2=O 252428676 UNBVZLXCQDVEGX-KONPQCLYSA-N 269.388 3.694 0 30 CHAC CCCN(CCC)C(=S)Nc1cccc(OC)c1 117560 JMFQHTZUZHMRSP-UHFFFAOYSA-N 266.410 3.514 0 30 CHAC Cc1noc(C)c1C(=O)Oc1ccc(C(C)(C)C)cc1 112017 OHIIPCLMYSFBTK-UHFFFAOYSA-N 273.332 3.808 0 30 CHAC CC(C)CCCCCOC(=O)c1ccccc1C(=O)O 5758441 OKQCINGECXXEQY-UHFFFAOYSA-N 278.348 3.758 0 30 CHAC Fc1ccc(-n2c(-c3ccncc3)nc3cccnc32)cc1 76039786 QBSZCBCPDCJOAJ-UHFFFAOYSA-N 290.301 3.622 0 30 CHAC Cc1nc(-c2noc(-c3ccccc3)n2)c(C(F)(F)F)o1 77682 HDHOESRSKLXENM-UHFFFAOYSA-N 295.220 3.719 0 30 CHAC COCCNc1cc(-c2ccccc2)nc2ccccc12 4336332 PEIIFDWFMJRMGN-UHFFFAOYSA-N 278.355 3.960 0 30 CHAC C[C@]12CC[C@@H]3[C@H]4CCC(=O)C[C@@H]4CC[C@H]3[C@@H]1CCC2=O 6067856 CRDKSBHJIGNEOH-IMRIKWHGSA-N 274.404 3.777 0 30 CHAC in-vivo CCCOC(=O)COc1cc(Cl)c(Cl)cc1Cl 1995103 KQPZLIOOEZZUFO-UHFFFAOYSA-N 297.565 3.979 0 30 CHAC C[C@]12CC[C@@H]3c4ccc(O)cc4C=C[C@H]3[C@H]1CCC2=O 252428715 WTRRIQCGCGCMQA-KONPQCLYSA-N 268.356 3.898 0 30 CHAC CCCC[C@@H](NCC)C(=O)Nc1c(C)cccc1Cl 33875426 RIJZZXCVNSTOOF-CYBMUJFWSA-N 282.815 3.755 0 30 CHAC FC(F)(F)c1nc(-c2ccc(Br)cc2)no1 146520765 PWAUGWKEWSIPMU-UHFFFAOYSA-N 293.042 3.518 0 30 CHAC S=C(NN=Cc1ccccc1Cl)Nc1ccccc1 254417417 RZHZSGICBDFBBE-UHFFFAOYSA-N 289.791 3.661 0 30 CHAC O=C1OC(c2ccccc2)(c2ccccc2)[C@H]2CCCN12 21984511 BEXXCWDIWBCVFX-MRXNPFEDSA-N 279.339 3.545 0 30 CHAC Nc1c(Nc2ccccc2C(=O)O)cccc1C(F)(F)F 39123564 MIZZNVGGHSVJLO-UHFFFAOYSA-N 296.248 3.729 0 30 CHAC c1ccc([C@H]2Nc3ccccc3[C@H]2C2CCNCC2)cc1 4202598 XYKATSPCYLYIKN-RTBURBONSA-N 278.399 3.937 0 30 CHAC CCOC(=O)c1sc(SC)c(-c2ccccc2)c1N 125443 FMCWHPBBCXQPRV-UHFFFAOYSA-N 293.413 3.896 0 30 CHAC FC(F)(F)c1cccc(C[C@@H]2CCCCCN2)c1 70318514 HSMCLRXSEPDBEZ-ZDUSSCGKSA-N 257.299 3.780 0 30 CHAC O=C(O)C[C@@H]1C[C@@H](c2ccccc2)c2ccccc21 33866321 SPMZTVMUKNTXEW-BBRMVZONSA-N 252.313 3.781 0 30 CHAC Cc1cc2ccc3c(c2cc(O)c1=O)CCCC3(C)C 14690253 QATRODNHXVHGNU-UHFFFAOYSA-N 268.356 3.828 0 30 CHAC biogenic O=C(O)c1c(F)ccc(F)c1C(=O)c1ccc(Cl)cc1 116263410 APKFLIHBLPLUTR-UHFFFAOYSA-N 296.656 3.547 0 30 CHAC Cc1ccc(-c2cncnc2NC(=O)c2ccccc2)cc1 164536 VGLUXFSGUYUMMI-UHFFFAOYSA-N 289.338 3.704 0 30 CHAC CCc1c(Cl)cccc1I 200593599 RIJYLBIBFHWULW-UHFFFAOYSA-N 266.509 3.507 0 30 CHAC Clc1cc(Cl)cc(CN2CCSCC2)c1 59858034 NDODBXYGYLKTLD-UHFFFAOYSA-N 262.205 3.542 0 30 CHAC CCOC(=O)c1cccc(CN[C@H](C)c2ccccc2)c1 1772820820 WSENINPUHODZMO-CQSZACIVSA-N 283.371 3.714 0 30 CHAC CCn1c([C@H](C)Oc2ccc(Cl)cc2)n[nH]c1=S 163593 ZSVKAUICNCCCPU-QMMMGPOBSA-N 283.784 3.754 0 30 CHAC CSc1cccc(N[C@@H]2OC(=O)c3ccccc32)c1 164874 KONKLDRBGWCYJW-CQSZACIVSA-N 271.341 3.690 0 30 CHAC C[Si](C)(C)CCOCOCc1cccc(Cl)n1 195859083 RGQFQJXFYFHKNJ-UHFFFAOYSA-N 273.836 3.564 0 30 CHAC C[C@]12CC=C3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O 1774020995 UGXQKXAWZRMXEH-HSTZUDBKSA-N 290.447 3.671 0 30 CHAC Cc1ccc(NC(=O)C=Cc2ccc3c(c2)OCO3)cc1C 2265239518 PFONGEMKAJFFJK-UHFFFAOYSA-N 295.338 3.684 0 30 CHAC C[C@@H]1CC[C@H]2C(=O)N(c3ccc(C(C)(C)C)cc3)C(=O)[C@H]2C1 248328210 BEAVIIGYZJAHFG-WQVCFCJDSA-N 299.414 3.910 0 30 CHAC Cc1ccc(C(=O)/C=C/c2ccccc2)c(C(=O)O)c1 38633528 NNMSOQACCTUWMJ-CSKARUKUSA-N 266.296 3.589 0 30 CHAC C[C@H]([C@H](O)c1ccccc1)N(C)C/C=C/c1ccccc1 5751636 YMJMZFPZRVMNCH-ZLXMSIQFSA-N 281.399 3.754 0 30 CHAC in-man FC(F)(F)c1ccc(NCn2nnc3ccccc32)cc1 103849 MFJFTWVBAHDTGW-UHFFFAOYSA-N 292.264 3.520 0 30 CHAC CCOC(=O)c1ccc(CN[C@@H](C)c2ccccc2)cc1 1772820805 CUTXKDTWHMPODG-AWEZNQCLSA-N 283.371 3.714 0 30 CHAC O=C(Cn1ccnc1)c1cccc(Sc2ccccc2)c1 5425488 CGZCKXZRJJNUNX-UHFFFAOYSA-N 294.379 3.917 0 30 CHAC Brc1ccccc1[C@]12CCCC[C@H]1O2 299805380 LFDBJYOWBFFESF-VXGBXAGGSA-N 253.139 3.617 0 30 CHAC CC1(C)CCc2c(sc(N)c2C(=O)OC(C)(C)C)C1 95884012 UHGIJBKLNXBFLV-UHFFFAOYSA-N 281.421 3.801 0 30 CHAC in-vitro CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 3782839 DSEPKSLFXGYPIU-MRXNPFEDSA-N 298.430 3.960 0 30 CHAC Cc1ccc(C(=O)OC(C)(C)C)cc1Br 38842674 RZOLYFYFBRHPQS-UHFFFAOYSA-N 271.154 3.713 0 30 CHAC Cc1cc(C2=CSC3=NCCCN23)ccc1Cl 150662 LNUBLOAILAWYIJ-UHFFFAOYSA-N 264.781 3.755 0 30 CHAC O=C1Nc2ccccc2/C1=C/c1c[nH]c(-c2ccccc2)n1 13465330 FBXNYCPVKALBHC-GDNBJRDFSA-N 287.322 3.569 0 30 CHAC COc1ccc(Cl)c(NC(=O)OC(C)(C)C)c1 83502369 CFSUYRDHJFCVAH-UHFFFAOYSA-N 257.717 3.696 0 30 CHAC C[C@@H](C1CC1)[C@](C)(Cn1cncn1)c1ccc(Cl)cc1 108646737 JCOKNRLKILGMJN-LRDDRELGSA-N 289.810 3.936 0 30 CHAC COc1ccc2cc(O)c(C(=O)Nc3ccccc3)cc2c1 6018982 NMOUGHCHKXXTRY-UHFFFAOYSA-N 293.322 3.806 0 30 CHAC O[C@H](c1c[nH]c2ccccc12)C(Cl)(Cl)Cl 238790380 KNHYQIDFVDXYRN-SECBINFHSA-N 264.539 3.572 0 30 CHAC O=C1Nc2ccccc2[C@@H]1Cc1ccc(Cl)cc1 1045510 MNMZQPVZOVEXHO-ZDUSSCGKSA-N 257.720 3.618 0 30 CHAC CC[C@H](O)C(C[C@H](C)NC)(c1ccccc1)c1ccccc1 5921969 KYHAUJGXNUJCTC-LPHOPBHVSA-N 297.442 3.742 0 30 CHAC CC[C@@H](C)Cn1c(S)nnc1-c1ccc(C)cc1 149520734 LKMRJAFISYXEBC-SNVBAGLBSA-N 261.394 3.588 0 30 CHAC Cc1c(C(=O)N(C)C2CCCCC2)cnn1-c1ccccc1 154818 NSNBSQOXFRTPEK-UHFFFAOYSA-N 297.402 3.585 0 30 CHAC Clc1ccc(CN2CCc3sccc3C2)cc1 33756547 KNSFITOKRGUJFV-UHFFFAOYSA-N 263.793 3.960 0 30 CHAC Brc1ccc2c(c1)C1(CCCN2)CC1 2265384631 BWLBUMBGDQOVOS-UHFFFAOYSA-N 252.155 3.686 0 30 CHAC Brc1ccc(Oc2cccnc2)cc1 27099530 ARFFAYAYZONBST-UHFFFAOYSA-N 250.095 3.636 0 30 CHAC Cc1ccc(NC(=O)NC=Cc2ccco2)cc1C 1388897 MFGJTANABRPVDF-UHFFFAOYSA-N 256.305 3.689 0 30 CHAC O=C1CC2(CCCC2)C(=O)N1c1cc(Cl)cc(Cl)c1 74428 GLGBYSOYRFNESI-UHFFFAOYSA-N 298.169 3.817 0 30 CHAC CCc1ccc(CC(=O)Cc2ccc(Cl)cc2)nc1 94113322 NNBUPYBNYMIZAT-UHFFFAOYSA-N 273.763 3.652 0 30 CHAC in-vitro CCCN(CCC)C[C@H]1CCCCN1C(=O)OC(C)(C)C 888084755 OOGLDMHAKUGPPN-OAHLLOKOSA-N 298.471 3.898 0 30 CHAC OCc1nc(-c2ccc(Cl)c(Cl)c2)cs1 76790 DGRKWXJMTJREJA-UHFFFAOYSA-N 260.145 3.609 0 30 CHAC CC(C)n1cc(CCNC(=O)c2ccco2)c2ccccc21 888090730 QFRYNLYCAFKSKM-UHFFFAOYSA-N 296.370 3.788 0 30 CHAC Cc1ccc2cc(NC(=O)Cc3ccccc3)ccc2n1 84504 CVMLPNIZSUHLBT-UHFFFAOYSA-N 276.339 3.724 0 30 CHAC CCOC(=O)[C@@H]1[C@@H](CC(Cl)(Cl)Cl)C1(C)C 5857098 BFRKWUSVYDWEBX-RQJHMYQMSA-N 273.587 3.582 0 30 CHAC O=[N+]([O-])/C=C/c1cc2ccc(Cl)cc2nc1Cl 32099812 PCCHCBLCCVOVDN-ONEGZZNKSA-N 269.087 3.789 0 30 CHAC Cc1cc(C(=O)n2cc(C)c(-c3cccs3)n2)c(C)o1 114679 QVQOFRRHAWWCIM-UHFFFAOYSA-N 286.356 3.818 0 30 CHAC O=Cc1cccc(-c2ncccc2C(F)(F)F)c1 90669362 HQJAUILKVDWKFO-UHFFFAOYSA-N 251.207 3.580 0 30 CHAC Oc1ccc(OCc2ccc3ccccc3n2)cc1 37324182 NDLCXMUVSVJHCV-UHFFFAOYSA-N 251.285 3.519 0 30 CHAC c1ccc(CN2CCC3(CC2)CCN(C2CCC2)C3)cc1 95937483 MOGHSFLJXIBNPX-UHFFFAOYSA-N 284.447 3.527 0 30 CHAC O=C1Nc2ccccc2/C1=C/c1ccnc2ccccc12 13125385 UBEIHUVCYODJRE-PTNGSMBKSA-N 272.307 3.728 0 30 CHAC CC1=C2C=CN(C)C(C)=C2C=C2c3cc(O)ccc3N[C@H]21 141570570 FTVYFWUQNYOFHS-SFHVURJKSA-N 278.355 3.633 0 30 CHAC CON=Cc1c(-c2ccc(Cl)cc2)nc2cc(C)ccn12 254821357 YJLVYJJAZZQYEL-UHFFFAOYSA-N 299.761 3.943 0 30 CHAC O=C1c2ccccc2-c2cc(O)c(CN3CCCCC3)cc21 2006248 HRADQXHPLQQMPG-UHFFFAOYSA-N 293.366 3.590 0 30 CHAC CCCC[C@]1(CC)C(=O)N(c2ccccc2)C(=O)N=C1O 1997532 ZGHDFVVXOYKDBZ-INIZCTEOSA-N 288.347 3.696 0 30 CHAC CC[C@@H](C)OC(=O)COc1ccc(Cl)cc1Cl 1851041 PVVPYVMHXYPBQZ-MRVPVSSYSA-N 277.147 3.714 0 30 CHAC O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccnc1 146752 UTNFCWOGNMOHHP-UHFFFAOYSA-N 297.236 3.624 0 30 CHAC Cc1cc(C)c2nc(Cl)c(/C=C/[N+](=O)[O-])cc2c1 32099818 ZLHXNLJIZFMIMO-ONEGZZNKSA-N 262.696 3.752 0 30 CHAC CC(C)(C)OC(=O)NCc1cc(-c2ccccc2)ccc1N 585669406 OVVPWVDTRRZHJG-UHFFFAOYSA-N 298.386 3.961 0 30 CHAC C[C@@H]([C@H](O)c1ccccc1)N(C)C/C=C/c1ccccc1 2015725 YMJMZFPZRVMNCH-LMOYIVCVSA-N 281.399 3.754 0 30 CHAC in-man O=C(O)c1cc(Br)ccc1-c1ccccc1 2540054 SFZBNBYZRFOGBK-UHFFFAOYSA-N 277.117 3.814 0 30 CHAC O=C(Cc1nc2ccccc2o1)c1ccc(Cl)cc1 34940228 SDGVXNFSVAYDBU-UHFFFAOYSA-N 271.703 3.907 0 30 CHAC C[C@@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1 6036713 MCHVBEGSRJAJJJ-CQSZACIVSA-N 270.372 3.772 0 30 CHAC FC(F)(F)c1cc(-c2ccccc2Br)[nH]n1 259404216 SHJMGWLCEQIZNO-UHFFFAOYSA-N 291.070 3.858 0 30 CHAC C[C@@H](NCC(F)(F)F)c1ccccc1Br 19486527 WLEPKLIVEDMNPF-SSDOTTSWSA-N 282.103 3.662 0 30 CHAC C[C@H]1CCC(Br)=CN1C(=O)OC(C)(C)C 1535640427 HUJSMJOZVWJKBZ-QMMMGPOBSA-N 276.174 3.642 0 30 CHAC C=Cc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 223760484 OIUNHIFUNJOIHW-UHFFFAOYSA-N 261.328 3.886 0 30 CHAC CCOc1ccccc1[C@H](N)c1ccc(Cl)cc1 19804080 QIMRMWWEBQQKGC-OAHLLOKOSA-N 261.752 3.787 0 30 CHAC CCCCOC(=O)c1ccc(-c2ccccn2)s1 2150943 OMGBKWPFBVPOKL-UHFFFAOYSA-N 261.346 3.767 0 30 CHAC O=C1C[C@@H](c2ccc(Br)cc2)C12CCC2 700921472 KBPDPUJJJUIGPU-NSHDSACASA-N 265.150 3.676 0 30 CHAC Clc1cc(C2CC2)ccc1I 1535644013 ROARMNSZZMIYBP-UHFFFAOYSA-N 278.520 3.822 0 30 CHAC O=C(Nc1ccc(Cl)cc1)Nc1ccc2nonc2c1 171093 LHHJINYPOFGQEJ-UHFFFAOYSA-N 288.694 3.520 0 30 CHAC O=C(CCC(=O)c1ccc(F)cc1)c1ccc(F)cc1 140797 RDHRPRHZEJCLMG-UHFFFAOYSA-N 274.266 3.811 0 30 CHAC CCOC(=O)C(CC[C@H]1CC[C@@H](C)C1(C)C)C(=O)OCC 33608699 UVELSJAJXCLTED-CHWSQXEVSA-N 298.423 3.581 0 30 CHAC Cc1nc(CN[C@H](C)c2ccc(Cl)cc2)oc1C 49525531 JUYVDPQBRHYWRL-SNVBAGLBSA-N 264.756 3.796 0 30 CHAC CCc1ccc(-c2nc3scc(C)n3c2C=O)cc1 11757399 XBCACOUOQVZBKY-UHFFFAOYSA-N 270.357 3.746 0 30 CHAC Nc1c(Br)cnc2c(C(F)(F)F)cccc12 41702283 DUPXDNMPXXQPDE-UHFFFAOYSA-N 291.070 3.598 0 30 CHAC C[C@@H]([C@H](O)c1ccc(-c2ccccc2)cc1)n1ccnc1 13209483 PVWFUCRYWYDOJS-KSSFIOAISA-N 278.355 3.845 0 30 CHAC O[C@]1(c2ccccc2)CC[C@@H]2[C@H]1CC[C@]2(O)c1ccccc1 44477577 BGPALYKOUQFTBY-ZRNYENFQSA-N 294.394 3.582 0 30 CHAC Cc1ccc(C(=O)[C@@H](C)N(C)Cc2ccccc2)cc1 50132572 UIOKRZKDMRJWFG-OAHLLOKOSA-N 267.372 3.698 0 30 CHAC OCc1cc(OCc2ccccc2)c2ccccc2c1 143375057 QZWQACWDEVFKFZ-UHFFFAOYSA-N 264.324 3.911 0 30 CHAC COc1nc(Cl)cc(OCc2ccccc2)c1C(C)=O 1857792942 BPRIJLCOSTXCHV-UHFFFAOYSA-N 291.734 3.525 0 30 CHAC CN1N=C2c3ccccc3CC[C@H]2[C@@H]1c1cccs1 104942 FOUYPIAYLKDGBC-CZUORRHYSA-N 268.385 3.701 0 30 CHAC Cc1noc(C)c1-c1nc(-c2ccc(Cl)cc2)no1 112173 PPCRCKMFMDOUQT-UHFFFAOYSA-N 275.695 3.662 0 30 CHAC Clc1ccc(-c2nnc(SCC3CC3)o2)cc1 128410 AQKDKRNDJVUOEL-UHFFFAOYSA-N 266.753 3.892 0 30 CHAC CCOc1ccc(NC(=O)N/C=C/c2ccsc2)cc1 116372 CGWXRVRMURWFEG-VQHVLOKHSA-N 288.372 3.939 0 30 CHAC FC(F)(F)c1cc2[nH]c(=S)[nH]c2cc1Cl 130833 LSFYTNIKUUQWGI-UHFFFAOYSA-N 252.648 3.898 0 30 CHAC CC(C)c1ccccc1SCC1=NCCN1Cl 255982264 JXVSKYHIHGXXGA-UHFFFAOYSA-N 268.813 3.770 0 30 CHAC C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2N 4896137 WDTAJXMIXADUTH-YSZCXEEOSA-N 291.479 3.717 0 30 CHAC biogenic Clc1cncc(Oc2ccc(-n3cccc3)cn2)c1 93199 XZPGRLBQZBEOAH-UHFFFAOYSA-N 271.707 3.713 0 30 CHAC COC(F)(F)C(F)(F)c1ccc(Br)cc1 1535639539 MDGZLRMVHHJVFQ-UHFFFAOYSA-N 287.050 3.780 0 30 CHAC O=C(c1ccc(Cl)cc1)N1CCC(n2cccc2)CC1 170435 YSHWKAZISSYZLA-UHFFFAOYSA-N 288.778 3.619 0 30 CHAC C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)CC=CC[C@]34C)[C@@H]1CC[C@@H]2O 2265351432 KDSYIIWCLNQJNC-PTQIDZKGSA-N 290.447 3.671 0 30 CHAC CCCCN1CC[C@@](CCC)(c2cccc(O)c2)C1 3603616 NENMHKKGVFEUMW-QGZVFWFLSA-N 261.409 3.936 0 30 CHAC CC(C)C(=O)N(Cl)c1cccc(C(F)(F)F)c1 33506455 DNZRWVNXKTZXDM-UHFFFAOYSA-N 265.662 3.848 0 30 CHAC COc1ccc2c(c1)C1=CC3=C(C)N(C)CCC3=C(C)[C@H]1N2 141776445 GFOZMXWOOABROL-LJQANCHMSA-N 294.398 3.812 0 30 CHAC Cc1ccc(Oc2cc(Cl)ncn2)cc1Cl 91306066 TVPQJKVQJMJPLM-UHFFFAOYSA-N 255.104 3.884 0 30 CHAC COc1c(O)c2c3c(cc(C)cc3c1C(C)C)OC2 1632372 ZMCDJIAUWJBTEN-UHFFFAOYSA-N 258.317 3.878 0 30 CHAC biogenic,in-vitro CC1(C)CC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)C1 2147671 IQQVEKHNKKBKQX-UHFFFAOYSA-N 286.158 3.673 0 30 CHAC CN(C)C=CC(=O)c1ccc(-c2ccccc2)cc1 33290921 VOZCAYLHVNCRJS-UHFFFAOYSA-N 251.329 3.612 0 30 CHAC CCOC(=O)[C@H](C/C=C(\C)CCC=C(C)C)C(C)=O 33839841 BYPQAGFTLOOIJF-NRMKIYEFSA-N 266.381 3.838 0 30 CHAC